Next generation extended Lagrangian first principles molecular dynamics.

PubMed

Niklasson, Anders M N

2017-08-07

Extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] is formulated for general Hohenberg-Kohn density-functional theory and compared with the extended Lagrangian framework of first principles molecular dynamics by Car and Parrinello [Phys. Rev. Lett. 55, 2471 (1985)]. It is shown how extended Lagrangian Born-Oppenheimer molecular dynamics overcomes several shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while improving or maintaining important features of Car-Parrinello simulations. The accuracy of the electronic degrees of freedom in extended Lagrangian Born-Oppenheimer molecular dynamics, with respect to the exact Born-Oppenheimer solution, is of second-order in the size of the integration time step and of fourth order in the potential energy surface. Improved stability over recent formulations of extended Lagrangian Born-Oppenheimer molecular dynamics is achieved by generalizing the theory to finite temperature ensembles, using fractional occupation numbers in the calculation of the inner-product kernel of the extended harmonic oscillator that appears as a preconditioner in the electronic equations of motion. Material systems that normally exhibit slow self-consistent field convergence can be simulated using integration time steps of the same order as in direct Born-Oppenheimer molecular dynamics, but without the requirement of an iterative, non-linear electronic ground-state optimization prior to the force evaluations and without a systematic drift in the total energy. In combination with proposed low-rank and on the fly updates of the kernel, this formulation provides an efficient and general framework for quantum-based Born-Oppenheimer molecular dynamics simulations.

Lagrangian Perturbation Approach to the Formation of Large-scale Structure

NASA Astrophysics Data System (ADS)

Buchert, Thomas

The present lecture notes address three columns on which the Lagrangian perturbation approach to cosmological dynamics is based: 1. the formulation of a Lagrangian theory of self-gravitating flows in which the dynamics is described in terms of a single field variable; 2. the procedure, how to obtain the dynamics of Eulerian fields from the Lagrangian picture, and 3. a precise definition of a Newtonian cosmology framework in which Lagrangian perturbation solutions can be studied. While the first is a discussion of the basic equations obtained by transforming the Eulerian evolution and field equations to the Lagrangian picture, the second exemplifies how the Lagrangian theory determines the evolution of Eulerian fields including kinematical variables like expansion, vorticity, as well as the shear and tidal tensors. The third column is based on a specification of initial and boundary conditions, and in particular on the identification of the average flow of an inhomogeneous cosmology with a `Hubble-flow'. Here, we also look at the limits of the Lagrangian perturbation approach as inferred from comparisons with N-body simulations and illustrate some striking properties of the solutions.

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.

PubMed

Martínez, Enrique; Cawkwell, Marc J; Voter, Arthur F; Niklasson, Anders M N

2015-04-21

Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached at each time step. The thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics

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

Martínez, Enrique; Cawkwell, Marc J.; Voter, Arthur F.

Here, Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached atmore » each time step. Lastly, the thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.« less

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics

DOE PAGES

Martínez, Enrique; Cawkwell, Marc J.; Voter, Arthur F.; ...

2015-04-21

Here, Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached atmore » each time step. Lastly, the thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.« less

Lagrangian continuum dynamics in ALEGRA.

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

Wong, Michael K. W.; Love, Edward

Alegra is an ALE (Arbitrary Lagrangian-Eulerian) multi-material finite element code that emphasizes large deformations and strong shock physics. The Lagrangian continuum dynamics package in Alegra uses a Galerkin finite element spatial discretization and an explicit central-difference stepping method in time. The goal of this report is to describe in detail the characteristics of this algorithm, including the conservation and stability properties. The details provided should help both researchers and analysts understand the underlying theory and numerical implementation of the Alegra continuum hydrodynamics algorithm.

Lagrangian acceleration statistics in a turbulent channel flow

NASA Astrophysics Data System (ADS)

Stelzenmuller, Nickolas; Polanco, Juan Ignacio; Vignal, Laure; Vinkovic, Ivana; Mordant, Nicolas

2017-05-01

Lagrangian acceleration statistics in a fully developed turbulent channel flow at Reτ=1440 are investigated, based on tracer particle tracking in experiments and direct numerical simulations. The evolution with wall distance of the Lagrangian velocity and acceleration time scales is analyzed. Dependency between acceleration components in the near-wall region is described using cross-correlations and joint probability density functions. The strong streamwise coherent vortices typical of wall-bounded turbulent flows are shown to have a significant impact on the dynamics. This results in a strong anisotropy at small scales in the near-wall region that remains present in most of the channel. Such statistical properties may be used as constraints in building advanced Lagrangian stochastic models to predict the dispersion and mixing of chemical components for combustion or environmental studies.

The general form of the coupled Horndeski Lagrangian that allows cosmological scaling solutions

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

Gomes, Adalto R.; Amendola, Luca, E-mail: argomes.ufma@gmail.com, E-mail: l.amendola@thphys.uni-heidelberg.de

We consider the general scalar field Horndeski Lagrangian coupled to dark matter. Within this class of models, we present two results that are independent of the particular form of the model. First, we show that in a Friedmann-Robertson-Walker metric the Horndeski Lagrangian coincides with the pressure of the scalar field. Second, we employ the previous result to identify the most general form of the Lagrangian that allows for cosmological scaling solutions, i.e. solutions where the ratio of dark matter to field density and the equation of state remain constant. Scaling solutions of this kind may help solving the coincidence problemmore » since in this case the presently observed ratio of matter to dark energy does not depend on initial conditions, but rather on the theoretical parameters.« less

Symmetries in Lagrangian Dynamics

ERIC Educational Resources Information Center

Ferrario, Carlo; Passerini, Arianna

2007-01-01

In the framework of Noether's theorem, a distinction between Lagrangian and dynamical symmetries is made, in order to clarify some aspects neglected by textbooks. An intuitive setting of the concept of invariance of differential equations is presented. The analysis is completed by deriving the symmetry properties in the motion of a charged…

Vorticity and symplecticity in multi-symplectic, Lagrangian gas dynamics

NASA Astrophysics Data System (ADS)

Webb, G. M.; Anco, S. C.

2016-02-01

The Lagrangian, multi-dimensional, ideal, compressible gas dynamic equations are written in a multi-symplectic form, in which the Lagrangian fluid labels, m i (the Lagrangian mass coordinates) and time t are the independent variables, and in which the Eulerian position of the fluid element {x}={x}({m},t) and the entropy S=S({m},t) are the dependent variables. Constraints in the variational principle are incorporated by means of Lagrange multipliers. The constraints are: the entropy advection equation S t = 0, the Lagrangian map equation {{x}}t={u} where {u} is the fluid velocity, and the mass continuity equation which has the form J=τ where J={det}({x}{ij}) is the Jacobian of the Lagrangian map in which {x}{ij}=\\partial {x}i/\\partial {m}j and τ =1/ρ is the specific volume of the gas. The internal energy per unit volume of the gas \\varepsilon =\\varepsilon (ρ ,S) corresponds to a non-barotropic gas. The Lagrangian is used to define multi-momenta, and to develop de Donder-Weyl Hamiltonian equations. The de Donder-Weyl equations are cast in a multi-symplectic form. The pullback conservation laws and the symplecticity conservation laws are obtained. One class of symplecticity conservation laws give rise to vorticity and potential vorticity type conservation laws, and another class of symplecticity laws are related to derivatives of the Lagrangian energy conservation law with respect to the Lagrangian mass coordinates m i . We show that the vorticity-symplecticity laws can be derived by a Lie dragging method, and also by using Noether’s second theorem and a fluid relabelling symmetry which is a divergence symmetry of the action. We obtain the Cartan-Poincaré form describing the equations and we discuss a set of differential forms representing the equation system.

Constrained optimization framework for interface-aware sub-scale dynamics models for voids closure in Lagrangian hydrodynamics

DOE PAGES

Barlow, Andrew; Klima, Matej; Shashkov, Mikhail

2018-04-02

In hydrocodes, voids are used to represent vacuum and model free boundaries between vacuum and real materials. We give a systematic description of a new treatment of void closure in the framework of the multimaterial arbitrary Lagrangian–Eulerian (ALE) methods. This includes a new formulation of the interface-aware sub-scale-dynamics (IA-SSD) closure model for multimaterial cells with voids, which is used in the Lagrangian stage of our indirect ALE scheme. The results of the comprehensive testing of the new model are presented for one- and two-dimensional multimaterial calculations in the presence of voids. Finally, we also present a sneak peek of amore » realistic shaped charge calculation in the presence of voids and solids.« less

Constrained optimization framework for interface-aware sub-scale dynamics models for voids closure in Lagrangian hydrodynamics

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

Barlow, Andrew; Klima, Matej; Shashkov, Mikhail

In hydrocodes, voids are used to represent vacuum and model free boundaries between vacuum and real materials. We give a systematic description of a new treatment of void closure in the framework of the multimaterial arbitrary Lagrangian–Eulerian (ALE) methods. This includes a new formulation of the interface-aware sub-scale-dynamics (IA-SSD) closure model for multimaterial cells with voids, which is used in the Lagrangian stage of our indirect ALE scheme. The results of the comprehensive testing of the new model are presented for one- and two-dimensional multimaterial calculations in the presence of voids. Finally, we also present a sneak peek of amore » realistic shaped charge calculation in the presence of voids and solids.« less

A Satellite-Based Lagrangian View on Phytoplankton Dynamics.

PubMed

Lehahn, Yoav; d'Ovidio, Francesco; Koren, Ilan

2018-01-03

The well-lit upper layer of the open ocean is a dynamical environment that hosts approximately half of global primary production. In the remote parts of this environment, distant from the coast and from the seabed, there is no obvious spatially fixed reference frame for describing the dynamics of the microscopic drifting organisms responsible for this immense production of organic matter-the phytoplankton. Thus, a natural perspective for studying phytoplankton dynamics is to follow the trajectories of water parcels in which the organisms are embedded. With the advent of satellite oceanography, this Lagrangian perspective has provided valuable information on different aspects of phytoplankton dynamics, including bloom initiation and termination, spatial distribution patterns, biodiversity, export of carbon to the deep ocean, and, more recently, bottom-up mechanisms that affect the distribution and behavior of higher-trophic-level organisms. Upcoming submesoscale-resolving satellite observations and swarms of autonomous platforms open the way to the integration of vertical dynamics into the Lagrangian view of phytoplankton dynamics.

A Satellite-Based Lagrangian View on Phytoplankton Dynamics

NASA Astrophysics Data System (ADS)

Lehahn, Yoav; d'Ovidio, Francesco; Koren, Ilan

2018-01-01

The well-lit upper layer of the open ocean is a dynamical environment that hosts approximately half of global primary production. In the remote parts of this environment, distant from the coast and from the seabed, there is no obvious spatially fixed reference frame for describing the dynamics of the microscopic drifting organisms responsible for this immense production of organic matter—the phytoplankton. Thus, a natural perspective for studying phytoplankton dynamics is to follow the trajectories of water parcels in which the organisms are embedded. With the advent of satellite oceanography, this Lagrangian perspective has provided valuable information on different aspects of phytoplankton dynamics, including bloom initiation and termination, spatial distribution patterns, biodiversity, export of carbon to the deep ocean, and, more recently, bottom-up mechanisms that affect the distribution and behavior of higher-trophic-level organisms. Upcoming submesoscale-resolving satellite observations and swarms of autonomous platforms open the way to the integration of vertical dynamics into the Lagrangian view of phytoplankton dynamics.

Dynamics of Multibody Systems Near Lagrangian Points

NASA Astrophysics Data System (ADS)

Wong, Brian

This thesis examines the dynamics of a physically connected multi-spacecraft system in the vicinity of the Lagrangian points of a Circular Restricted Three-Body System. The spacecraft system is arranged in a wheel-spoke configuration with smaller and less massive satellites connected to a central hub using truss/beams or tether connectors. The kinematics of the system is first defined, and the kinetic, gravitational potential energy and elastic potential energy of the system are derived. The Assumed Modes Method is used to discretize the continuous variables of the system, and a general set of ordinary differential equations describing the dynamics of the connectors and the central hub are obtained using the Lagrangian method. The flexible body dynamics of the tethered and truss connected systems are examined using numerical simulations. The results show that these systems experienced only small elastic deflections when they are naturally librating or rotating at moderate angular velocities, and these deflections have relatively small effect on the attitude dynamics of the systems. Based on these results, it is determined that the connectors can be modeled as rigid when only the attitude dynamics of the system is of interest. The equations of motion of rigid satellites stationed at the Lagrangian points are linearized, and the stability conditions of the satellite are obtained from the linear equations. The required conditions are shown to be similar to those of geocentric satellites. Study of the linear equations also revealed the resonant conditions of rigid Lagrangian point satellites, when a librational natural frequency of the satellite matches the frequency of its station-keeping orbit leading to large attitude motions. For tethered satellites, the linear analysis shows that the tethers are in stable equilibrium when they lie along a line joining the two primary celestial bodies of the Three-Body System. Numerical simulations are used to study the long term

Subgrid-scale stresses and scalar fluxes constructed by the multi-scale turnover Lagrangian map

NASA Astrophysics Data System (ADS)

AL-Bairmani, Sukaina; Li, Yi; Rosales, Carlos; Xie, Zheng-tong

2017-04-01

The multi-scale turnover Lagrangian map (MTLM) [C. Rosales and C. Meneveau, "Anomalous scaling and intermittency in three-dimensional synthetic turbulence," Phys. Rev. E 78, 016313 (2008)] uses nested multi-scale Lagrangian advection of fluid particles to distort a Gaussian velocity field and, as a result, generate non-Gaussian synthetic velocity fields. Passive scalar fields can be generated with the procedure when the fluid particles carry a scalar property [C. Rosales, "Synthetic three-dimensional turbulent passive scalar fields via the minimal Lagrangian map," Phys. Fluids 23, 075106 (2011)]. The synthetic fields have been shown to possess highly realistic statistics characterizing small scale intermittency, geometrical structures, and vortex dynamics. In this paper, we present a study of the synthetic fields using the filtering approach. This approach, which has not been pursued so far, provides insights on the potential applications of the synthetic fields in large eddy simulations and subgrid-scale (SGS) modelling. The MTLM method is first generalized to model scalar fields produced by an imposed linear mean profile. We then calculate the subgrid-scale stress, SGS scalar flux, SGS scalar variance, as well as related quantities from the synthetic fields. Comparison with direct numerical simulations (DNSs) shows that the synthetic fields reproduce the probability distributions of the SGS energy and scalar dissipation rather well. Related geometrical statistics also display close agreement with DNS results. The synthetic fields slightly under-estimate the mean SGS energy dissipation and slightly over-predict the mean SGS scalar variance dissipation. In general, the synthetic fields tend to slightly under-estimate the probability of large fluctuations for most quantities we have examined. Small scale anisotropy in the scalar field originated from the imposed mean gradient is captured. The sensitivity of the synthetic fields on the input spectra is assessed by

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

Fluid Dynamics Lagrangian Simulation Model

NASA Astrophysics Data System (ADS)

Hyman, Ellis

1994-02-01

The work performed by Science Applications International Corporation (SAIC) on this contract, Fluid Dynamics Lagrangian Simulation Model, Contract Number N00014-89-C-2106, SAIC Project Number 01-0157-03-0768, focused on a number of research topics in fluid dynamics. The work was in support of the programs of NRL's Laboratory for Computational Physics and Fluid Dynamics and covered the period from 10 September 1989 to 9 December 1993. In the following sections, we describe each of the efforts and the results obtained. Much of the research work has resulted in journal publications. These are included in Appendices of this report for which the reader is referred for complete details.

Generalized extended Lagrangian Born-Oppenheimer molecular dynamics

DOE PAGES

Niklasson, Anders M. N.; Cawkwell, Marc J.

2014-10-29

Extended Lagrangian Born-Oppenheimer molecular dynamics based on Kohn-Sham density functional theory is generalized in the limit of vanishing self-consistent field optimization prior to the force evaluations. The equations of motion are derived directly from the extended Lagrangian under the condition of an adiabatic separation between the nuclear and the electronic degrees of freedom. We show how this separation is automatically fulfilled and system independent. The generalized equations of motion require only one diagonalization per time step and are applicable to a broader range of materials with improved accuracy and stability compared to previous formulations.

Lagrangian space consistency relation for large scale structure

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

Horn, Bart; Hui, Lam; Xiao, Xiao

Consistency relations, which relate the squeezed limit of an (N+1)-point correlation function to an N-point function, are non-perturbative symmetry statements that hold even if the associated high momentum modes are deep in the nonlinear regime and astrophysically complex. Recently, Kehagias & Riotto and Peloso & Pietroni discovered a consistency relation applicable to large scale structure. We show that this can be recast into a simple physical statement in Lagrangian space: that the squeezed correlation function (suitably normalized) vanishes. This holds regardless of whether the correlation observables are at the same time or not, and regardless of whether multiple-streaming is present.more » Furthermore, the simplicity of this statement suggests that an analytic understanding of large scale structure in the nonlinear regime may be particularly promising in Lagrangian space.« less

Lagrangian space consistency relation for large scale structure

DOE PAGES

Horn, Bart; Hui, Lam; Xiao, Xiao

2015-09-29

Consistency relations, which relate the squeezed limit of an (N+1)-point correlation function to an N-point function, are non-perturbative symmetry statements that hold even if the associated high momentum modes are deep in the nonlinear regime and astrophysically complex. Recently, Kehagias & Riotto and Peloso & Pietroni discovered a consistency relation applicable to large scale structure. We show that this can be recast into a simple physical statement in Lagrangian space: that the squeezed correlation function (suitably normalized) vanishes. This holds regardless of whether the correlation observables are at the same time or not, and regardless of whether multiple-streaming is present.more » Furthermore, the simplicity of this statement suggests that an analytic understanding of large scale structure in the nonlinear regime may be particularly promising in Lagrangian space.« less

Evaluation of the scale dependent dynamic SGS model in the open source code caffa3d.MBRi in wall-bounded flows

NASA Astrophysics Data System (ADS)

Draper, Martin; Usera, Gabriel

2015-04-01

The Scale Dependent Dynamic Model (SDDM) has been widely validated in large-eddy simulations using pseudo-spectral codes [1][2][3]. The scale dependency, particularly the potential law, has been proved also in a priori studies [4][5]. To the authors' knowledge there have been only few attempts to use the SDDM in finite difference (FD) and finite volume (FV) codes [6][7], finding some improvements with the dynamic procedures (scale independent or scale dependent approach), but not showing the behavior of the scale-dependence parameter when using the SDDM. The aim of the present paper is to evaluate the SDDM in the open source code caffa3d.MBRi, an updated version of the code presented in [8]. caffa3d.MBRi is a FV code, second-order accurate, parallelized with MPI, in which the domain is divided in unstructured blocks of structured grids. To accomplish this, 2 cases are considered: flow between flat plates and flow over a rough surface with the presence of a model wind turbine, taking for this case the experimental data presented in [9]. In both cases the standard Smagorinsky Model (SM), the Scale Independent Dynamic Model (SIDM) and the SDDM are tested. As presented in [6][7] slight improvements are obtained with the SDDM. Nevertheless, the behavior of the scale-dependence parameter supports the generalization of the dynamic procedure proposed in the SDDM, particularly taking into account that no explicit filter is used (the implicit filter is unknown). [1] F. Porté-Agel, C. Meneveau, M.B. Parlange. "A scale-dependent dynamic model for large-eddy simulation: application to a neutral atmospheric boundary layer". Journal of Fluid Mechanics, 2000, 415, 261-284. [2] E. Bou-Zeid, C. Meneveau, M. Parlante. "A scale-dependent Lagrangian dynamic model for large eddy simulation of complex turbulent flows". Physics of Fluids, 2005, 17, 025105 (18p). [3] R. Stoll, F. Porté-Agel. "Dynamic subgrid-scale models for momentum and scalar fluxes in large-eddy simulations of

A Combined Eulerian-Lagrangian Data Representation for Large-Scale Applications.

PubMed

Sauer, Franz; Xie, Jinrong; Ma, Kwan-Liu

2017-10-01

The Eulerian and Lagrangian reference frames each provide a unique perspective when studying and visualizing results from scientific systems. As a result, many large-scale simulations produce data in both formats, and analysis tasks that simultaneously utilize information from both representations are becoming increasingly popular. However, due to their fundamentally different nature, drawing correlations between these data formats is a computationally difficult task, especially in a large-scale setting. In this work, we present a new data representation which combines both reference frames into a joint Eulerian-Lagrangian format. By reorganizing Lagrangian information according to the Eulerian simulation grid into a "unit cell" based approach, we can provide an efficient out-of-core means of sampling, querying, and operating with both representations simultaneously. We also extend this design to generate multi-resolution subsets of the full data to suit the viewer's needs and provide a fast flow-aware trajectory construction scheme. We demonstrate the effectiveness of our method using three large-scale real world scientific datasets and provide insight into the types of performance gains that can be achieved.

Chemical dynamics between wells across a time-dependent barrier: Self-similarity in the Lagrangian descriptor and reactive basins.

PubMed

Junginger, Andrej; Duvenbeck, Lennart; Feldmaier, Matthias; Main, Jörg; Wunner, Günter; Hernandez, Rigoberto

2017-08-14

In chemical or physical reaction dynamics, it is essential to distinguish precisely between reactants and products for all times. This task is especially demanding in time-dependent or driven systems because therein the dividing surface (DS) between these states often exhibits a nontrivial time-dependence. The so-called transition state (TS) trajectory has been seen to define a DS which is free of recrossings in a large number of one-dimensional reactions across time-dependent barriers and thus, allows one to determine exact reaction rates. A fundamental challenge to applying this method is the construction of the TS trajectory itself. The minimization of Lagrangian descriptors (LDs) provides a general and powerful scheme to obtain that trajectory even when perturbation theory fails. Both approaches encounter possible breakdowns when the overall potential is bounded, admitting the possibility of returns to the barrier long after the trajectories have reached the product or reactant wells. Such global dynamics cannot be captured by perturbation theory. Meanwhile, in the LD-DS approach, it leads to the emergence of additional local minima which make it difficult to extract the optimal branch associated with the desired TS trajectory. In this work, we illustrate this behavior for a time-dependent double-well potential revealing a self-similar structure of the LD, and we demonstrate how the reflections and side-minima can be addressed by an appropriate modification of the LD associated with the direct rate across the barrier.

Lagrangian space consistency relation for large scale structure

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

Horn, Bart; Hui, Lam; Xiao, Xiao, E-mail: bh2478@columbia.edu, E-mail: lh399@columbia.edu, E-mail: xx2146@columbia.edu

Consistency relations, which relate the squeezed limit of an (N+1)-point correlation function to an N-point function, are non-perturbative symmetry statements that hold even if the associated high momentum modes are deep in the nonlinear regime and astrophysically complex. Recently, Kehagias and Riotto and Peloso and Pietroni discovered a consistency relation applicable to large scale structure. We show that this can be recast into a simple physical statement in Lagrangian space: that the squeezed correlation function (suitably normalized) vanishes. This holds regardless of whether the correlation observables are at the same time or not, and regardless of whether multiple-streaming is present.more » The simplicity of this statement suggests that an analytic understanding of large scale structure in the nonlinear regime may be particularly promising in Lagrangian space.« less

Chaotic Lagrangian models for turbulent relative dispersion.

PubMed

Lacorata, Guglielmo; Vulpiani, Angelo

2017-04-01

A deterministic multiscale dynamical system is introduced and discussed as a prototype model for relative dispersion in stationary, homogeneous, and isotropic turbulence. Unlike stochastic diffusion models, here trajectory transport and mixing properties are entirely controlled by Lagrangian chaos. The anomalous "sweeping effect," a known drawback common to kinematic simulations, is removed through the use of quasi-Lagrangian coordinates. Lagrangian dispersion statistics of the model are accurately analyzed by computing the finite-scale Lyapunov exponent (FSLE), which is the optimal measure of the scaling properties of dispersion. FSLE scaling exponents provide a severe test to decide whether model simulations are in agreement with theoretical expectations and/or observation. The results of our numerical experiments cover a wide range of "Reynolds numbers" and show that chaotic deterministic flows can be very efficient, and numerically low-cost, models of turbulent trajectories in stationary, homogeneous, and isotropic conditions. The mathematics of the model is relatively simple, and, in a geophysical context, potential applications may regard small-scale parametrization issues in general circulation models, mixed layer, and/or boundary layer turbulence models as well as Lagrangian predictability studies.

Chaotic Lagrangian models for turbulent relative dispersion

NASA Astrophysics Data System (ADS)

Lacorata, Guglielmo; Vulpiani, Angelo

2017-04-01

A deterministic multiscale dynamical system is introduced and discussed as a prototype model for relative dispersion in stationary, homogeneous, and isotropic turbulence. Unlike stochastic diffusion models, here trajectory transport and mixing properties are entirely controlled by Lagrangian chaos. The anomalous "sweeping effect," a known drawback common to kinematic simulations, is removed through the use of quasi-Lagrangian coordinates. Lagrangian dispersion statistics of the model are accurately analyzed by computing the finite-scale Lyapunov exponent (FSLE), which is the optimal measure of the scaling properties of dispersion. FSLE scaling exponents provide a severe test to decide whether model simulations are in agreement with theoretical expectations and/or observation. The results of our numerical experiments cover a wide range of "Reynolds numbers" and show that chaotic deterministic flows can be very efficient, and numerically low-cost, models of turbulent trajectories in stationary, homogeneous, and isotropic conditions. The mathematics of the model is relatively simple, and, in a geophysical context, potential applications may regard small-scale parametrization issues in general circulation models, mixed layer, and/or boundary layer turbulence models as well as Lagrangian predictability studies.

Learn the Lagrangian: A Vector-Valued RKHS Approach to Identifying Lagrangian Systems.

PubMed

Cheng, Ching-An; Huang, Han-Pang

2016-12-01

We study the modeling of Lagrangian systems with multiple degrees of freedom. Based on system dynamics, canonical parametric models require ad hoc derivations and sometimes simplification for a computable solution; on the other hand, due to the lack of prior knowledge in the system's structure, modern nonparametric models in machine learning face the curse of dimensionality, especially in learning large systems. In this paper, we bridge this gap by unifying the theories of Lagrangian systems and vector-valued reproducing kernel Hilbert space. We reformulate Lagrangian systems with kernels that embed the governing Euler-Lagrange equation-the Lagrangian kernels-and show that these kernels span a subspace capturing the Lagrangian's projection as inverse dynamics. By such property, our model uses only inputs and outputs as in machine learning and inherits the structured form as in system dynamics, thereby removing the need for the mundane derivations for new systems as well as the generalization problem in learning from scratches. In effect, it learns the system's Lagrangian, a simpler task than directly learning the dynamics. To demonstrate, we applied the proposed kernel to identify the robot inverse dynamics in simulations and experiments. Our results present a competitive novel approach to identifying Lagrangian systems, despite using only inputs and outputs.

Spatio-temporal organization of dynamics in a two-dimensional periodically driven vortex flow: A Lagrangian flow network perspective.

PubMed

Lindner, Michael; Donner, Reik V

2017-03-01

We study the Lagrangian dynamics of passive tracers in a simple model of a driven two-dimensional vortex resembling real-world geophysical flow patterns. Using a discrete approximation of the system's transfer operator, we construct a directed network that describes the exchange of mass between distinct regions of the flow domain. By studying different measures characterizing flow network connectivity at different time-scales, we are able to identify the location of dynamically invariant structures and regions of maximum dispersion. Specifically, our approach allows us to delimit co-existing flow regimes with different dynamics. To validate our findings, we compare several network characteristics to the well-established finite-time Lyapunov exponents and apply a receiver operating characteristic analysis to identify network measures that are particularly useful for unveiling the skeleton of Lagrangian chaos.

Lagrangian-Hamiltonian unified formalism for autonomous higher order dynamical systems

NASA Astrophysics Data System (ADS)

Prieto-Martínez, Pedro Daniel; Román-Roy, Narciso

2011-09-01

The Lagrangian-Hamiltonian unified formalism of Skinner and Rusk was originally stated for autonomous dynamical systems in classical mechanics. It has been generalized for non-autonomous first-order mechanical systems, as well as for first-order and higher order field theories. However, a complete generalization to higher order mechanical systems is yet to be described. In this work, after reviewing the natural geometrical setting and the Lagrangian and Hamiltonian formalisms for higher order autonomous mechanical systems, we develop a complete generalization of the Lagrangian-Hamiltonian unified formalism for these kinds of systems, and we use it to analyze some physical models from this new point of view.

Preserving Lagrangian Structure in Nonlinear Model Reduction with Application to Structural Dynamics

DOE PAGES

Carlberg, Kevin; Tuminaro, Ray; Boggs, Paul

2015-03-11

Our work proposes a model-reduction methodology that preserves Lagrangian structure and achieves computational efficiency in the presence of high-order nonlinearities and arbitrary parameter dependence. As such, the resulting reduced-order model retains key properties such as energy conservation and symplectic time-evolution maps. We focus on parameterized simple mechanical systems subjected to Rayleigh damping and external forces, and consider an application to nonlinear structural dynamics. To preserve structure, the method first approximates the system's “Lagrangian ingredients''---the Riemannian metric, the potential-energy function, the dissipation function, and the external force---and subsequently derives reduced-order equations of motion by applying the (forced) Euler--Lagrange equation with thesemore » quantities. Moreover, from the algebraic perspective, key contributions include two efficient techniques for approximating parameterized reduced matrices while preserving symmetry and positive definiteness: matrix gappy proper orthogonal decomposition and reduced-basis sparsification. Our results for a parameterized truss-structure problem demonstrate the practical importance of preserving Lagrangian structure and illustrate the proposed method's merits: it reduces computation time while maintaining high accuracy and stability, in contrast to existing nonlinear model-reduction techniques that do not preserve structure.« less

Preserving Lagrangian Structure in Nonlinear Model Reduction with Application to Structural Dynamics

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

Carlberg, Kevin; Tuminaro, Ray; Boggs, Paul

Our work proposes a model-reduction methodology that preserves Lagrangian structure and achieves computational efficiency in the presence of high-order nonlinearities and arbitrary parameter dependence. As such, the resulting reduced-order model retains key properties such as energy conservation and symplectic time-evolution maps. We focus on parameterized simple mechanical systems subjected to Rayleigh damping and external forces, and consider an application to nonlinear structural dynamics. To preserve structure, the method first approximates the system's “Lagrangian ingredients''---the Riemannian metric, the potential-energy function, the dissipation function, and the external force---and subsequently derives reduced-order equations of motion by applying the (forced) Euler--Lagrange equation with thesemore » quantities. Moreover, from the algebraic perspective, key contributions include two efficient techniques for approximating parameterized reduced matrices while preserving symmetry and positive definiteness: matrix gappy proper orthogonal decomposition and reduced-basis sparsification. Our results for a parameterized truss-structure problem demonstrate the practical importance of preserving Lagrangian structure and illustrate the proposed method's merits: it reduces computation time while maintaining high accuracy and stability, in contrast to existing nonlinear model-reduction techniques that do not preserve structure.« less

A Lagrangian model of Copepod dynamics in turbulent flows

NASA Astrophysics Data System (ADS)

Ardeshiri, Hamidreza; Benkeddad, Ibtissem; Schmitt, Francois G.; Souissi, Sami; Toschi, Federico; Calzavarini, Enrico

2016-04-01

Planktonic copepods are small crustaceans that have the ability to swim by quick powerful jumps. Such an aptness is used to escape from high shear regions, which may be caused either by flow perturbations, produced by a large predator such as fish larave, or by the inherent highly turbulent dynamics of the ocean. Through a combined experimental and numerical study, we investigate the impact of jumping behaviour on the small-scale patchiness of copepods in a turbulent environment. Recorded velocity tracks of copepods displaying escape response jumps in still water are used to define and tune a Lagrangian Copepod (LC) model. The model is further employed to simulate the behaviour of thousands of copepods in a fully developed hydrodynamic turbulent flow obtained by direct numerical simulation of the Navier-Stokes equations. First, we show that the LC velocity statistics is in qualitative agreement with available experimental observations of copepods in turbulence. Second, we quantify the clustering of LC, via the fractal dimension D2. We show that D2 can be as low as 2.3, corresponding to local sheetlike aggregates, and that it critically depends on the shear-rate sensitivity of the proposed LC model. We further investigate the effect of jump intensity, jump orientation and geometrical aspect ratio of the copepods on the small-scale spatial distribution. Possible ecological implications of the observed clustering on encounter rates and mating success are discussed.

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro, E-mail: zvlah@stanford.edu, E-mail: mwhite@berkeley.edu, E-mail: aviles@berkeley.edu

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The 'new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. All the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

DOE PAGES

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

2015-09-02

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids.

PubMed

Aradi, Bálint; Niklasson, Anders M N; Frauenheim, Thomas

2015-07-14

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born-Oppenheimer molecular dynamics. For systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can be applied to a broad range of problems in materials science, chemistry, and biology.

A river-scale Lagrangian experiment examining controls on phytoplankton dynamics in the presence and absence of treated wastewater effluent high in ammonium

USGS Publications Warehouse

Kraus, Tamara; Carpenter, Kurt; Bergamaschi, Brian; Parker, Alexander; Stumpner, Elizabeth; Downing, Bryan D.; Travis, Nicole; Wilkerson, Frances; Kendall, Carol; Mussen, Timothy

2017-01-01

Phytoplankton are critical component of the food web in most large rivers and estuaries, and thus identifying dominant controls on phytoplankton abundance and species composition is important to scientists, managers, and policymakers. Recent studies from a variety of systems indicate that ammonium ( NH+4) in treated wastewater effluent decreases primary production and alters phytoplankton species composition. However, these findings are based mainly on laboratory and enclosure studies, which may not adequately represent natural systems. To test effects of effluent high in ammonium on phytoplankton at the ecosystem scale, we conducted whole-river–scale experiments by halting discharges to the Sacramento River from the regional wastewater treatment plant (WWTP), and used a Lagrangian approach to compare changes in phytoplankton abundance and species composition in the presence (+EFF) and absence (−EFF) of effluent. Over 5 d of downstream travel from 20 km above to 50 km below the WWTP, chlorophyll concentrations declined from 15–25 to ∼2.5 μg L−1, irrespective of effluent addition. Benthic diatoms were dominant in most samples. We found no significant difference in phytoplankton abundance or species composition between +EFF and −EFF conditions. Moreover, greatest declines in chlorophyll occurred upstream of the WWTP where NH+4 concentrations were low. Grazing by clams and zooplankton could not account for observed losses, suggesting other factors such as hydrodynamics and light limitation were responsible for phytoplankton declines. These results highlight the advantages of conducting ecosystem-scale, Lagrangian-based experiments to understand the dynamic and complex interplay between physical, chemical, and biological factors that control phytoplankton populations.

Fingerprints of heavy scales in electroweak effective Lagrangians

NASA Astrophysics Data System (ADS)

Pich, Antonio; Rosell, Ignasi; Santos, Joaquín; Sanz-Cillero, Juan José

2017-04-01

The couplings of the electroweak effective theory contain information on the heavy-mass scales which are no-longer present in the low-energy Lagrangian. We build a general effective Lagrangian, implementing the electroweak chiral symmetry breaking SU(2) L ⊗ SU(2) R → SU(2) L+ R , which couples the known particle fields to heavier states with bosonic quantum numbers J P = 0± and 1±. We consider colour-singlet heavy fields that are in singlet or triplet representations of the electroweak group. Integrating out these heavy scales, we analyze the pattern of low-energy couplings among the light fields which are generated by the massive states. We adopt a generic non-linear realization of the electroweak symmetry breaking with a singlet Higgs, without making any assumption about its possible doublet structure. Special attention is given to the different possible descriptions of massive spin-1 fields and the differences arising from naive implementations of these formalisms, showing their full equivalence once a proper short-distance behaviour is required.

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

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

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

DOE PAGES

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

2015-06-26

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

Dispersion upscaling from a pore scale characterization of Lagrangian velocities

NASA Astrophysics Data System (ADS)

Turuban, Régis; de Anna, Pietro; Jiménez-Martínez, Joaquín; Tabuteau, Hervé; Méheust, Yves; Le Borgne, Tanguy

2013-04-01

Mixing and reactive transport are primarily controlled by the interplay between diffusion, advection and reaction at pore scale. Yet, how the distribution and spatial correlation of the velocity field at pore scale impact these processes is still an open question. Here we present an experimental investigation of the distribution and correlation of pore scale velocities and its relation with upscaled dispersion. We use a quasi two-dimensional (2D) horizontal set up, consisting of two glass plates filled with cylinders representing the grains of the porous medium : the cell is built by soft lithography technique, wich allows for full control of the system geometry. The local velocity field is quantified from particle tracking velocimetry using microspheres that are advected with the pore scale flow. Their displacement is purely advective, as the particle size is chosen large enough to avoid diffusion. We thus obtain particle trajectories as well as lagrangian velocities in the entire system. The measured velocity field shows the existence of a network of preferential flow paths in channels with high velocities, as well as very low velocity in stagnation zones, with a non Gaussian distribution. Lagrangian velocities are long range correlated in time, which implies a non-fickian scaling of the longitudinal variance of particle positions. To upscale this process we develop an effective transport model, based on correlated continous time random walk, which is entirely parametrized by the pore scale velocity distribution and correlation. The model predictions are compared with conservative tracer test data for different Peclet numbers. Furthermore, we investigate the impact of different pore geometries on the distribution and correlation of Lagrangian velocities and we discuss the link between these properties and the effective dispersion behavior.

Energy conserving, linear scaling Born-Oppenheimer molecular dynamics.

PubMed

Cawkwell, M J; Niklasson, Anders M N

2012-10-07

Born-Oppenheimer molecular dynamics simulations with long-term conservation of the total energy and a computational cost that scales linearly with system size have been obtained simultaneously. Linear scaling with a low pre-factor is achieved using density matrix purification with sparse matrix algebra and a numerical threshold on matrix elements. The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] yields microcanonical trajectories with the approximate forces obtained from the linear scaling method that exhibit no systematic drift over hundreds of picoseconds and which are indistinguishable from trajectories computed using exact forces.

Deconstructing field-induced ketene isomerization through Lagrangian descriptors.

PubMed

Craven, Galen T; Hernandez, Rigoberto

2016-02-07

The time-dependent geometrical separatrices governing state transitions in field-induced ketene isomerization are constructed using the method of Lagrangian descriptors. We obtain the stable and unstable manifolds of time-varying transition states as dynamic phase space objects governing configurational changes when the ketene molecule is subjected to an oscillating electric field. The dynamics of the isomerization reaction are modeled through classical trajectory studies on the Gezelter-Miller potential energy surface and an approximate dipole moment model which is coupled to a time-dependent electric field. We obtain a representation of the reaction geometry, over varying field strengths and oscillation frequencies, by partitioning an initial phase space into basins labeled according to which product state is reached at a given time. The borders between these basins are in agreement with those obtained using Lagrangian descriptors, even in regimes exhibiting chaotic dynamics. Major outcomes of this work are: validation and extension of a transition state theory framework built from Lagrangian descriptors, elaboration of the applicability for this theory to periodically- and aperiodically-driven molecular systems, and prediction of regimes in which isomerization of ketene and its derivatives may be controlled using an external field.

Transport induced by mean-eddy interaction: I. Theory, and relation to Lagrangian lobe dynamics

NASA Astrophysics Data System (ADS)

Ide, Kayo; Wiggins, Stephen

2015-02-01

In this paper we develop a method for the estimation of Transport Induced by the Mean-Eddy interaction (TIME) in two-dimensional unsteady flows. The method is based on the dynamical systems approach to fluid transport and can be viewed as a hybrid combination of Lagrangian and Eulerian methods. The (Eulerian) boundaries across which we consider (Lagrangian) transport are kinematically defined by appropriately chosen streamlines of the mean flow. By evaluating the impact of the mean-eddy interaction on transport, the TIME method can be used as a diagnostic tool for transport processes that occur during a specified time interval along a specified boundary segment. We introduce two types of TIME functions: one that quantifies the accumulation of flow properties and another that measures the displacement of the transport geometry. The spatial geometry of transport is described by the so-called pseudo-lobes, and temporal evolution of transport by their dynamics. In the case where the TIME functions are evaluated along a separatrix, the pseudo-lobes have a relationship to the lobes of Lagrangian transport theory. In fact, one of the TIME functions is identical to the Melnikov function that is used to measure the distance, at leading order in a small parameter, between the two invariant manifolds that define the Lagrangian lobes. We contrast the similarities and differences between the TIME and Lagrangian lobe dynamics in detail. An application of the TIME method is carried out for inter-gyre transport in the wind-driven oceanic circulation model and a comparison with the Lagrangian transport theory is made.

Multi-Scale Analysis for Characterizing Near-Field Constituent Concentrations in the Context of a Macro-Scale Semi-Lagrangian Numerical Model

NASA Astrophysics Data System (ADS)

Yearsley, J. R.

2017-12-01

The semi-Lagrangian numerical scheme employed by RBM, a model for simulating time-dependent, one-dimensional water quality constituents in advection-dominated rivers, is highly scalable both in time and space. Although the model has been used at length scales of 150 meters and time scales of three hours, the majority of applications have been at length scales of 1/16th degree latitude/longitude (about 5 km) or greater and time scales of one day. Applications of the method at these scales has proven successful for characterizing the impacts of climate change on water temperatures in global rivers and on the vulnerability of thermoelectric power plants to changes in cooling water temperatures in large river systems. However, local effects can be very important in terms of ecosystem impacts, particularly in the case of developing mixing zones for wastewater discharges with pollutant loadings limited by regulations imposed by the Federal Water Pollution Control Act (FWPCA). Mixing zone analyses have usually been decoupled from large-scale watershed influences by developing scenarios that represent critical scenarios for external processes associated with streamflow and weather conditions . By taking advantage of the particle-tracking characteristics of the numerical scheme, RBM can provide results at any point in time within the model domain. We develop a proof of concept for locations in the river network where local impacts such as mixing zones may be important. Simulated results from the semi-Lagrangian numerical scheme are treated as input to a finite difference model of the two-dimensional diffusion equation for water quality constituents such as water temperature or toxic substances. Simulations will provide time-dependent, two-dimensional constituent concentration in the near-field in response to long-term basin-wide processes. These results could provide decision support to water quality managers for evaluating mixing zone characteristics.

Effective Lagrangian in de Sitter spacetime

NASA Astrophysics Data System (ADS)

Kitamoto, Hiroyuki; Kitazawa, Yoshihisa

2017-01-01

Scale invariant fluctuations of metric are a universal feature of quantum gravity in de Sitter spacetime. We construct an effective Lagrangian which summarizes their implications on local physics by integrating superhorizon metric fluctuations. It shows infrared quantum effects are local and render fundamental couplings time dependent. We impose Lorenz invariance on the effective Lagrangian as it is required by the principle of general covariance. We show that such a requirement leads to unique physical predictions by fixing the quantization ambiguities. We explain how the gauge parameter dependence of observables is canceled. In particular the relative evolution speed of the couplings are shown to be gauge invariant.

Lagrangian descriptors in dissipative systems.

PubMed

Junginger, Andrej; Hernandez, Rigoberto

2016-11-09

The reaction dynamics of time-dependent systems can be resolved through a recrossing-free dividing surface associated with the transition state trajectory-that is, the unique trajectory which is bound to the barrier region for all time in response to a given time-dependent potential. A general procedure based on the minimization of Lagrangian descriptors has recently been developed by Craven and Hernandez [Phys. Rev. Lett., 2015, 115, 148301] to construct this particular trajectory without requiring perturbative expansions relative to the naive transition state point at the top of the barrier. The extension of the method to account for dissipation in the equations of motion requires additional considerations established in this paper because the calculation of the Lagrangian descriptor involves the integration of trajectories in forward and backward time. The two contributions are in general very different because the friction term can act as a source (in backward time) or sink (in forward time) of energy, leading to the possibility that information about the phase space structure may be lost due to the dominance of only one of the terms. To compensate for this effect, we introduce a weighting scheme within the Lagrangian descriptor and demonstrate that for thermal Langevin dynamics it preserves the essential phase space structures, while they are lost in the nonweighted case.

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.

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.

Extended Lagrangian formulation of charge-constrained tight-binding molecular dynamics.

PubMed

Cawkwell, M J; Coe, J D; Yadav, S K; Liu, X-Y; Niklasson, A M N

2015-06-09

The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [Niklasson, Phys. Rev. Lett., 2008, 100, 123004] has been applied to a tight-binding model under the constraint of local charge neutrality to yield microcanonical trajectories with both precise, long-term energy conservation and a reduced number of self-consistent field optimizations at each time step. The extended Lagrangian molecular dynamics formalism restores time reversal symmetry in the propagation of the electronic degrees of freedom, and it enables the efficient and accurate self-consistent optimization of the chemical potential and atomwise potential energy shifts in the on-site elements of the tight-binding Hamiltonian that are required when enforcing local charge neutrality. These capabilities are illustrated with microcanonical molecular dynamics simulations of a small metallic cluster using an sd-valent tight-binding model for titanium. The effects of weak dissipation on the propagation of the auxiliary degrees of freedom for the chemical potential and on-site Hamiltonian matrix elements that is used to counteract the accumulation of numerical noise during trajectories was also investigated.

Transport upscaling from pore- to Darcy-scale: Incorporating pore-scale Berea sandstone Lagrangian velocity statistics into a Darcy-scale transport CTRW model

NASA Astrophysics Data System (ADS)

Puyguiraud, Alexandre; Dentz, Marco; Gouze, Philippe

2017-04-01

For the past several years a lot of attention has been given to pore-scale flow in order to understand and model transport, mixing and reaction in porous media. Nevertheless we believe that an accurate study of spatial and temporal evolution of velocities could bring important additional information for the upscaling from pore to higher scales. To gather these pieces of information, we perform Stokes flow simulations on pore-scale digitized images of a Berea sandstone core. First, micro-tomography (XRMT) imaging and segmentation processes allow us to obtain 3D black and white images of the sample [1]. Then we used an OpenFoam solver to perform the Stokes flow simulations mentioned above, which gives us the velocities at the interfaces of a cubic mesh. Subsequently, we use a particle streamline reconstruction technique which uses the Eulerian velocity field previously obtained. This technique, based on a modified Pollock algorithm [2], enables us to make particle tracking simulations on the digitized sample. In order to build a stochastic pore-scale transport model, we analyze the Lagrangian velocity series in two different ways. First we investigate the velocity evolution by sampling isochronically (t-Lagrangian), and by studying its statistical properties in terms of one- and two-points statistics. Intermittent patterns can be observed. These are due to the persistance of low velocities over a characteristic space length. Other results are investigated, such as correlation functions and velocity PDFs, which permit us to study more deeply this persistence in the velocities and to compute the correlation times. However, with the second approach, doing these same analysis in space by computing the velocities equidistantly, enables us to remove the intermittency shown in the temporal evolution and to model these velocity series as a Markov process. This renders the stochastic particle dynamics into a CTRW [3]. [1] Gjetvaj, F., A. Russian, P. Gouze, and M. Dentz (2015

Upscaling anomalous reactive kinetics (A+B-->C) from pore scale Lagrangian velocity analysis

NASA Astrophysics Data System (ADS)

De Anna, P.; Tartakovsky, A. M.; Le Borgne, T.; Dentz, M.

2011-12-01

Natural flow fields in porous media display a complex spatio-temporal organization due to heterogeneous geological structures at different scales. This multiscale disorder implies anomalous dispersion, mixing and reaction kinetics (Berkowitz et al. RG 2006, Tartakovsky PRE 2010). Here, we focus on the upscaling of anomalous kinetics arising from pore scale, non Gaussian and correlated, velocity distributions. We consider reactive front simulations, where a component A displaces a component B that saturates initially the porous domain. The reactive component C is produced at the dispersive front located at interface between the A and B domains. The simulations are performed with the SPH method. As the mixing zone grows, the total mass of C produced increases with time. The scaling of this evolution with time is different from that which would be obtained from the homogeneous advection dispersion reaction equation. This anomalous kinetics property is related to spatial structure of the reactive mixture, and its evolution with time under the combined action of advective and diffusive processes. We discuss the different scaling regimes arising depending on the dominant process that governs mixing. In order to upscale these processes, we analyze the Lagrangian velocity properties, which are characterized by the non Gaussian distributions and long range temporal correlation. The main origin of these properties is the existence of very low velocity regions where solute particles can remain trapped for a long time. Another source of strong correlation is the channeling of flow in localized high velocity regions, which created finger-like structures in the concentration field. We show the spatial Markovian, and temporal non Markovian, nature of the Lagrangian velocity field. Therefore, an upscaled model can be defined as a correlated Continuous Time Random Walk (Le Borgne et al. PRL 2008). A key feature of this model is the definition of a transition probability density for

Lagrangian model of copepod dynamics: Clustering by escape jumps in turbulence

NASA Astrophysics Data System (ADS)

Ardeshiri, H.; Benkeddad, I.; Schmitt, F. G.; Souissi, S.; Toschi, F.; Calzavarini, E.

2016-04-01

Planktonic copepods are small crustaceans that have the ability to swim by quick powerful jumps. Such an aptness is used to escape from high shear regions, which may be caused either by flow perturbations, produced by a large predator (i.e., fish larvae), or by the inherent highly turbulent dynamics of the ocean. Through a combined experimental and numerical study, we investigate the impact of jumping behavior on the small-scale patchiness of copepods in a turbulent environment. Recorded velocity tracks of copepods displaying escape response jumps in still water are here used to define and tune a Lagrangian copepod (LC) model. The model is further employed to simulate the behavior of thousands of copepods in a fully developed hydrodynamic turbulent flow obtained by direct numerical simulation of the Navier-Stokes equations. First, we show that the LC velocity statistics is in qualitative agreement with available experimental observations of copepods in turbulence. Second, we quantify the clustering of LC, via the fractal dimension D2. We show that D2 can be as low as ˜2.3 and that it critically depends on the shear-rate sensitivity of the proposed LC model, in particular it exhibits a minimum in a narrow range of shear-rate values. We further investigate the effect of jump intensity, jump orientation, and geometrical aspect ratio of the copepods on the small-scale spatial distribution. At last, possible ecological implications of the observed clustering on encounter rates and mating success are discussed.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

NASA Astrophysics Data System (ADS)

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M. N.; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-01

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory.

PubMed

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M N; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes-in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

DOE PAGES

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; ...

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

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

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

Stochastic Lagrangian dynamics for charged flows in the E-F regions of ionosphere

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

Tang Wenbo; Mahalov, Alex

2013-03-15

We develop a three-dimensional numerical model for the E-F region ionosphere and study the Lagrangian dynamics for plasma flows in this region. Our interest rests on the charge-neutral interactions and the statistics associated with stochastic Lagrangian motion. In particular, we examine the organizing mixing patterns for plasma flows due to polarized gravity wave excitations in the neutral field, using Lagrangian coherent structures (LCS). LCS objectively depict the flow topology-the extracted attractors indicate generation of ionospheric density gradients, due to accumulation of plasma. Using Lagrangian measures such as the finite-time Lyapunov exponents, we locate the Lagrangian skeletons for mixing in plasma,more » hence where charged fronts are expected to appear. With polarized neutral wind, we find that the corresponding plasma velocity is also polarized. Moreover, the polarized velocity alone, coupled with stochastic Lagrangian motion, may give rise to polarized density fronts in plasma. Statistics of these trajectories indicate high level of non-Gaussianity. This includes clear signatures of variance, skewness, and kurtosis of displacements taking polarized structures aligned with the gravity waves, and being anisotropic.« less

Recording High Resolution 3D Lagrangian Motions In Marine Dinoflagellates using Digital Holographic Microscopic Cinematography

NASA Astrophysics Data System (ADS)

Sheng, J.; Malkiel, E.; Katz, J.; Place, A. R.; Belas, R.

2006-11-01

Detailed data on swimming behavior and locomotion for dense population of dinoflagellates constitutes a key component to understanding cell migration, cell-cell interactions and predator-prey dynamics, all of which affect algae bloom dynamics. Due to the multi-dimensional nature of flagellated cell motions, spatial-temporal Lagrangian measurements of multiple cells in high concentration are very limited. Here we present detailed data on 3D Lagrangian motions for three marine dinoflagellates: Oxyrrhis marina, Karlodinium veneficum, and Pfiesteria piscicida, using digital holographic microscopic cinematography. The measurements are performed in a 5x5x25mm cuvette with cell densities varying from 50,000 ˜ 90,000 cells/ml. Approximately 200-500 cells are tracked simultaneously for 12s at 60fps in a sample volume of 1x1x5 mm at a spatial resolution of 0.4x0.4x2 μm. We fully resolve the longitudinal flagella (˜200nm) along with the Lagrangian trajectory of each organism. Species dependent swimming behavior are identified and categorized quantitatively by velocities, radii of curvature, and rotations of pitch. Statistics on locomotion, temporal & spatial scales, and diffusion rate show substantial differences between species. The scaling between turning radius and cell dimension can be explained by a distributed stokeslet model for a self-propelled body.

Lagrangian particle method for compressible fluid dynamics

NASA Astrophysics Data System (ADS)

Samulyak, Roman; Wang, Xingyu; Chen, Hsin-Chiang

2018-06-01

A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is suitable for the simulation of complex free surface/multiphase flows. The main contributions of our method, which is different from SPH in all other aspects, are (a) significant improvement of approximation of differential operators based on a polynomial fit via weighted least squares approximation and the convergence of prescribed order, (b) a second-order particle-based algorithm that reduces to the first-order upwind method at local extremal points, providing accuracy and long term stability, and (c) more accurate resolution of entropy discontinuities and states at free interfaces. While the method is consistent and convergent to a prescribed order, the conservation of momentum and energy is not exact and depends on the convergence order. The method is generalizable to coupled hyperbolic-elliptic systems. Numerical verification tests demonstrating the convergence order are presented as well as examples of complex multiphase flows.

Shear and shearless Lagrangian structures in compound channels

NASA Astrophysics Data System (ADS)

Enrile, F.; Besio, G.; Stocchino, A.

2018-03-01

Transport processes in a physical model of a natural stream with a composite cross-section (compound channel) are investigated by means of a Lagrangian analysis based on nonlinear dynamical system theory. Two-dimensional free surface Eulerian experimental velocity fields of a uniform flow in a compound channel form the basis for the identification of the so-called Lagrangian Coherent Structures. Lagrangian structures are recognized as the key features that govern particle trajectories. We seek for two particular class of Lagrangian structures: Shear and shearless structures. The former are generated whenever the shear dominates the flow whereas the latter behave as jet-cores. These two type of structures are detected as ridges and trenches of the Finite-Time Lyapunov Exponents fields, respectively. Besides, shearlines computed applying the geodesic theory of transport barriers mark Shear Lagrangian Coherent Structures. So far, the detection of these structures in real experimental flows has not been deeply investigated. Indeed, the present results obtained in a wide range of the controlling parameters clearly show a different behaviour depending on the shallowness of the flow. Shear and Shearless Lagrangian Structures detected from laboratory experiments clearly appear as the flow develops in shallow conditions. The presence of these Lagrangian Structures tends to fade in deep flow conditions.

Lagrangian ocean analysis: Fundamentals and practices

DOE PAGES

van Sebille, Erik; Griffies, Stephen M.; Abernathey, Ryan; ...

2017-11-24

Lagrangian analysis is a powerful way to analyse the output of ocean circulation models and other ocean velocity data such as from altimetry. In the Lagrangian approach, large sets of virtual particles are integrated within the three-dimensional, time-evolving velocity fields. A variety of tools and methods for this purpose have emerged, over several decades. Here, we review the state of the art in the field of Lagrangian analysis of ocean velocity data, starting from a fundamental kinematic framework and with a focus on large-scale open ocean applications. Beyond the use of explicit velocity fields, we consider the influence of unresolvedmore » physics and dynamics on particle trajectories. We comprehensively list and discuss the tools currently available for tracking virtual particles. We then showcase some of the innovative applications of trajectory data, and conclude with some open questions and an outlook. Our overall goal of this review paper is to reconcile some of the different techniques and methods in Lagrangian ocean analysis, while recognising the rich diversity of codes that have and continue to emerge, and the challenges of the coming age of petascale computing.« less

Lagrangian ocean analysis: Fundamentals and practices

NASA Astrophysics Data System (ADS)

van Sebille, Erik; Griffies, Stephen M.; Abernathey, Ryan; Adams, Thomas P.; Berloff, Pavel; Biastoch, Arne; Blanke, Bruno; Chassignet, Eric P.; Cheng, Yu; Cotter, Colin J.; Deleersnijder, Eric; Döös, Kristofer; Drake, Henri F.; Drijfhout, Sybren; Gary, Stefan F.; Heemink, Arnold W.; Kjellsson, Joakim; Koszalka, Inga Monika; Lange, Michael; Lique, Camille; MacGilchrist, Graeme A.; Marsh, Robert; Mayorga Adame, C. Gabriela; McAdam, Ronan; Nencioli, Francesco; Paris, Claire B.; Piggott, Matthew D.; Polton, Jeff A.; Rühs, Siren; Shah, Syed H. A. M.; Thomas, Matthew D.; Wang, Jinbo; Wolfram, Phillip J.; Zanna, Laure; Zika, Jan D.

2018-01-01

Lagrangian analysis is a powerful way to analyse the output of ocean circulation models and other ocean velocity data such as from altimetry. In the Lagrangian approach, large sets of virtual particles are integrated within the three-dimensional, time-evolving velocity fields. Over several decades, a variety of tools and methods for this purpose have emerged. Here, we review the state of the art in the field of Lagrangian analysis of ocean velocity data, starting from a fundamental kinematic framework and with a focus on large-scale open ocean applications. Beyond the use of explicit velocity fields, we consider the influence of unresolved physics and dynamics on particle trajectories. We comprehensively list and discuss the tools currently available for tracking virtual particles. We then showcase some of the innovative applications of trajectory data, and conclude with some open questions and an outlook. The overall goal of this review paper is to reconcile some of the different techniques and methods in Lagrangian ocean analysis, while recognising the rich diversity of codes that have and continue to emerge, and the challenges of the coming age of petascale computing.

Lagrangian ocean analysis: Fundamentals and practices

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

van Sebille, Erik; Griffies, Stephen M.; Abernathey, Ryan

Lagrangian analysis is a powerful way to analyse the output of ocean circulation models and other ocean velocity data such as from altimetry. In the Lagrangian approach, large sets of virtual particles are integrated within the three-dimensional, time-evolving velocity fields. A variety of tools and methods for this purpose have emerged, over several decades. Here, we review the state of the art in the field of Lagrangian analysis of ocean velocity data, starting from a fundamental kinematic framework and with a focus on large-scale open ocean applications. Beyond the use of explicit velocity fields, we consider the influence of unresolvedmore » physics and dynamics on particle trajectories. We comprehensively list and discuss the tools currently available for tracking virtual particles. We then showcase some of the innovative applications of trajectory data, and conclude with some open questions and an outlook. Our overall goal of this review paper is to reconcile some of the different techniques and methods in Lagrangian ocean analysis, while recognising the rich diversity of codes that have and continue to emerge, and the challenges of the coming age of petascale computing.« less

Extreme Lagrangian acceleration in confined turbulent flow.

PubMed

Kadoch, Benjamin; Bos, Wouter J T; Schneider, Kai

2008-05-09

A Lagrangian study of two-dimensional turbulence for two different geometries, a periodic and a confined circular geometry, is presented to investigate the influence of solid boundaries on the Lagrangian dynamics. It is found that the Lagrangian acceleration is even more intermittent in the confined domain than in the periodic domain. The flatness of the Lagrangian acceleration as a function of the radius shows that the influence of the wall on the Lagrangian dynamics becomes negligible in the center of the domain, and it also reveals that the wall is responsible for the increased intermittency. The transition in the Lagrangian statistics between this region, not directly influenced by the walls, and a critical radius which defines a Lagrangian boundary layer is shown to be very sharp with a sudden increase of the acceleration flatness from about 5 to about 20.

Quantitative flow analysis of swimming dynamics with coherent Lagrangian vortices.

PubMed

Huhn, F; van Rees, W M; Gazzola, M; Rossinelli, D; Haller, G; Koumoutsakos, P

2015-08-01

Undulatory swimmers flex their bodies to displace water, and in turn, the flow feeds back into the dynamics of the swimmer. At moderate Reynolds number, the resulting flow structures are characterized by unsteady separation and alternating vortices in the wake. We use the flow field from simulations of a two-dimensional, incompressible viscous flow of an undulatory, self-propelled swimmer and detect the coherent Lagrangian vortices in the wake to dissect the driving momentum transfer mechanisms. The detected material vortex boundary encloses a Lagrangian control volume that serves to track back the vortex fluid and record its circulation and momentum history. We consider two swimming modes: the C-start escape and steady anguilliform swimming. The backward advection of the coherent Lagrangian vortices elucidates the geometry of the vorticity field and allows for monitoring the gain and decay of circulation and momentum transfer in the flow field. For steady swimming, momentum oscillations of the fish can largely be attributed to the momentum exchange with the vortex fluid. For the C-start, an additionally defined jet fluid region turns out to balance the high momentum change of the fish during the rapid start.

Upscaling mixing in porous media from an experimental quantification of pore scale Lagrangian deformation statistics

NASA Astrophysics Data System (ADS)

Turuban, R.; Jimenez-Martinez, J.; De Anna, P.; Tabuteau, H.; Meheust, Y.; Le Borgne, T.

2014-12-01

As dissolved chemical elements are transported in the subsurface, their mixing with other compounds and potential reactivity depends on the creation of local scale chemical gradients, which ultimately drive diffusive mass transfer and reaction. The distribution of concentration gradients is in turn shaped by the spatial gradients of flow velocity arising from the random distribution of solid grains. We present an experimental investigation of the relationship between the microscale flow stretching properties and the effective large scale mixing dynamics in porous media. We use a flow cell that models a horizontal quasi two-dimensional (2D) porous medium, the grains of which are cylinders randomly positioned between two glass plates [de Anna et al. 2013]. In this setup, we perform both non diffusive and diffusive transport tests, by injecting respectively microsphere solid tracers and a fluorescent dye. While the dye front propagates through the medium, it undergoes in time a kinematic stretching that is controlled by the flow heterogeneity, as it encounters stagnation zones and high velocity channels between the grains. The spatial distribution of the dye can then be described as a set of stretched lamellae whose rate of diffusive smoothing is locally enhanced by kinematic stretching [Le Borgne et al., 2013]. We show that this representation allows predicting the temporal evolution of the mixing rate and the probability distribution of concentration gradients for a range of Peclet numbers. This upscaling framework hence provides a quantification of the dynamics of effective mixing from the microscale Lagrangian velocity statistics. References:[1] P. de Anna, J. Jimenez-Martinez, H. Tabuteau, R. Turuban, T. Le Borgne, M. Derrien,and Yves Méheust, Mixing and reaction kinetics in porous media : an experimental pore scale quantification, Environ. Sci. Technol. 48, 508-516, 2014. [2] Le Borgne, T., M. Dentz, E. Villermaux, Stretching, coalescence and mixing in porous

Lagrangian Statistics and Intermittency in Gulf of Mexico.

PubMed

Lin, Liru; Zhuang, Wei; Huang, Yongxiang

2017-12-12

Due to the nonlinear interaction between different flow patterns, for instance, ocean current, meso-scale eddies, waves, etc, the movement of ocean is extremely complex, where a multiscale statistics is then relevant. In this work, a high time-resolution velocity with a time step 15 minutes obtained by the Lagrangian drifter deployed in the Gulf of Mexico (GoM) from July 2012 to October 2012 is considered. The measured Lagrangian velocity correlation function shows a strong daily cycle due to the diurnal tidal cycle. The estimated Fourier power spectrum E(f) implies a dual-power-law behavior which is separated by the daily cycle. The corresponding scaling exponents are close to -1.75 and -2.75 respectively for the time scale larger (resp. 0.1 ≤ f ≤ 0.4 day -1 ) and smaller (resp. 2 ≤ f ≤ 8 day -1 ) than 1 day. A Hilbert-based approach is then applied to this data set to identify the possible multifractal property of the cascade process. The results show an intermittent dynamics for the time scale larger than 1 day, while a less intermittent dynamics for the time scale smaller than 1 day. It is speculated that the energy is partially injected via the diurnal tidal movement and then transferred to larger and small scales through a complex cascade process, which needs more studies in the near future.

Lagrangian particle method for compressible fluid dynamics

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

Samulyak, Roman; Wang, Xingyu; Chen, Hsin -Chiang

A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is suitable for the simulation of complex free surface / multi-phase flows. The main contributions of our method, which is different from SPH in all other aspects, are (a) significant improvement of approximation of differential operators based on a polynomial fit via weighted least squares approximation and the convergence of prescribed order, (b) a second-order particle-based algorithm that reduces to the first-order upwind method at local extremalmore » points, providing accuracy and long term stability, and (c) more accurate resolution of entropy discontinuities and states at free inter-faces. While the method is consistent and convergent to a prescribed order, the conservation of momentum and energy is not exact and depends on the convergence order . The method is generalizable to coupled hyperbolic-elliptic systems. As a result, numerical verification tests demonstrating the convergence order are presented as well as examples of complex multiphase flows.« less

Lagrangian particle method for compressible fluid dynamics

DOE PAGES

Samulyak, Roman; Wang, Xingyu; Chen, Hsin -Chiang

2018-02-09

A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is suitable for the simulation of complex free surface / multi-phase flows. The main contributions of our method, which is different from SPH in all other aspects, are (a) significant improvement of approximation of differential operators based on a polynomial fit via weighted least squares approximation and the convergence of prescribed order, (b) a second-order particle-based algorithm that reduces to the first-order upwind method at local extremalmore » points, providing accuracy and long term stability, and (c) more accurate resolution of entropy discontinuities and states at free inter-faces. While the method is consistent and convergent to a prescribed order, the conservation of momentum and energy is not exact and depends on the convergence order . The method is generalizable to coupled hyperbolic-elliptic systems. As a result, numerical verification tests demonstrating the convergence order are presented as well as examples of complex multiphase flows.« less

Markov Chain Monte Carlo from Lagrangian Dynamics.

PubMed

Lan, Shiwei; Stathopoulos, Vasileios; Shahbaba, Babak; Girolami, Mark

2015-04-01

Hamiltonian Monte Carlo (HMC) improves the computational e ciency of the Metropolis-Hastings algorithm by reducing its random walk behavior. Riemannian HMC (RHMC) further improves the performance of HMC by exploiting the geometric properties of the parameter space. However, the geometric integrator used for RHMC involves implicit equations that require fixed-point iterations. In some cases, the computational overhead for solving implicit equations undermines RHMC's benefits. In an attempt to circumvent this problem, we propose an explicit integrator that replaces the momentum variable in RHMC by velocity. We show that the resulting transformation is equivalent to transforming Riemannian Hamiltonian dynamics to Lagrangian dynamics. Experimental results suggests that our method improves RHMC's overall computational e ciency in the cases considered. All computer programs and data sets are available online (http://www.ics.uci.edu/~babaks/Site/Codes.html) in order to allow replication of the results reported in this paper.

Altimetric lagrangian advection to reconstruct Pacific Ocean fine scale surface tracer fields

NASA Astrophysics Data System (ADS)

Rogé, Marine; Morrow, Rosemary; Dencausse, Guillaume

2015-04-01

In past studies, lagrangian stirring of surface tracer fields by altimetric surface geostrophic currents has been performed in different mid to high-latitude regions, showing good results in reconstructing finer-scale tracer patterns. Here we apply the technique to three different regions in the eastern and western tropical Pacific, and in the subtropical southwest Pacific. Initial conditions are derived from weekly gridded temperature and salinity fields, based on hydrographic data and Argo. Validation of the improved fine-scale surface tracer fields is performed using satellite AMSRE SST data, and high-resolution ship thermosalinograph data. We test two kinds of lagrangian advection. The standard one-way advection is shown to introduce an increased tracer bias as the advection time increases. Indeed, since we only use passive stirring, a bias is introduced from the missing physics, such as air-sea fluxes or mixing. A second "backward-forward" advection technique is shown to reduce the seasonal bias, but more data is lost around coasts and islands, a strong handicap in the tropical Pacific with many small islands. In the subtropical Pacific Ocean, the mesoscale temperature and salinity fronts are well represented by the one-way advection over a 10-day advection time, including westward propagating features not apparent in the initial fields. In the tropics, the results are less clear. The validation is hampered by the complex vertical stratification, and the technique is limited by the lack of accurate surface currents for the stirring - the gridded altimetric fields poorly represent the meridional currents, and are not detecting the fast tropical instability waves, nor the wind-driven circulation. We suggest that the passive lateral stirring technique is efficient in regions with moderate the high mesoscale energy and correlated mesoscale surface temperature and surface height. In other regions, more complex dynamical processes may need to be included.

Toroidal regularization of the guiding center Lagrangian

DOE PAGES

Burby, J. W.; Ellison, C. L.

2017-11-22

In the Lagrangian theory of guiding center motion, an effective magnetic field B* = B+ (m/e)v ∥∇ x b appears prominently in the equations of motion. Because the parallel component of this field can vanish, there is a range of parallel velocities where the Lagrangian guiding center equations of motion are either ill-defined or very badly behaved. Moreover, the velocity dependence of B* greatly complicates the identification of canonical variables and therefore the formulation of symplectic integrators for guiding center dynamics. Here, this letter introduces a simple coordinate transformation that alleviates both these problems simultaneously. In the new coordinates, themore » Liouville volume element is equal to the toroidal contravariant component of the magnetic field. Consequently, the large-velocity singularity is completely eliminated. Moreover, passing from the new coordinate system to canonical coordinates is extremely simple, even if the magnetic field is devoid of flux surfaces. We demonstrate the utility of this approach in regularizing the guiding center Lagrangian by presenting a new and stable one-step variational integrator for guiding centers moving in arbitrary time-dependent electromagnetic fields.« less

Toroidal regularization of the guiding center Lagrangian

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

Burby, J. W.; Ellison, C. L.

In the Lagrangian theory of guiding center motion, an effective magnetic field B* = B+ (m/e)v ∥∇ x b appears prominently in the equations of motion. Because the parallel component of this field can vanish, there is a range of parallel velocities where the Lagrangian guiding center equations of motion are either ill-defined or very badly behaved. Moreover, the velocity dependence of B* greatly complicates the identification of canonical variables and therefore the formulation of symplectic integrators for guiding center dynamics. Here, this letter introduces a simple coordinate transformation that alleviates both these problems simultaneously. In the new coordinates, themore » Liouville volume element is equal to the toroidal contravariant component of the magnetic field. Consequently, the large-velocity singularity is completely eliminated. Moreover, passing from the new coordinate system to canonical coordinates is extremely simple, even if the magnetic field is devoid of flux surfaces. We demonstrate the utility of this approach in regularizing the guiding center Lagrangian by presenting a new and stable one-step variational integrator for guiding centers moving in arbitrary time-dependent electromagnetic fields.« less

Nanoscopic length scale dependence of hydrogen bonded molecular associates’ dynamics in methanol

PubMed Central

Bertrand, C. E.; Self, J. L.; Copley, J. R. D.; Faraone, A.

2017-01-01

In a recent paper [C. E. Bertrand et al., J. Chem. Phys. 145, 014502 (2016)], we have shown that the collective dynamics of methanol shows a fast relaxation process related to the standard density-fluctuation heat mode and a slow non-Fickian mode originating from the hydrogen bonded molecular associates. Here we report on the length scale dependence of this slow relaxation process. Using quasielastic neutron scattering and molecular dynamics simulations, we show that the dynamics of the slow process is affected by the structuring of the associates, which is accessible through polarized neutron diffraction experiments. Using a series of partially deuterated samples, the dynamics of the associates is investigated and is found to have a similar time scale to the lifetime of hydrogen bonding in the system. Both the structural relaxation and the dynamics of the associates are thermally activated by the breaking of hydrogen bonding. PMID:28527447

An asymptotic-preserving Lagrangian algorithm for the time-dependent anisotropic heat transport equation

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

Chacon, Luis; del-Castillo-Negrete, Diego; Hauck, Cory D.

2014-09-01

We propose a Lagrangian numerical algorithm for a time-dependent, anisotropic temperature transport equation in magnetized plasmas in the large guide field regime. The approach is based on an analytical integral formal solution of the parallel (i.e., along the magnetic field) transport equation with sources, and it is able to accommodate both local and non-local parallel heat flux closures. The numerical implementation is based on an operator-split formulation, with two straightforward steps: a perpendicular transport step (including sources), and a Lagrangian (field-line integral) parallel transport step. Algorithmically, the first step is amenable to the use of modern iterative methods, while themore » second step has a fixed cost per degree of freedom (and is therefore scalable). Accuracy-wise, the approach is free from the numerical pollution introduced by the discrete parallel transport term when the perpendicular to parallel transport coefficient ratio X ⊥ /X ∥ becomes arbitrarily small, and is shown to capture the correct limiting solution when ε = X⊥L 2 ∥/X1L 2 ⊥ → 0 (with L∥∙ L⊥ , the parallel and perpendicular diffusion length scales, respectively). Therefore, the approach is asymptotic-preserving. We demonstrate the capabilities of the scheme with several numerical experiments with varying magnetic field complexity in two dimensions, including the case of transport across a magnetic island.« less

A LES-based Eulerian-Lagrangian approach to predict the dynamics of bubble plumes

NASA Astrophysics Data System (ADS)

Fraga, Bruño; Stoesser, Thorsten; Lai, Chris C. K.; Socolofsky, Scott A.

2016-01-01

An approach for Eulerian-Lagrangian large-eddy simulation of bubble plume dynamics is presented and its performance evaluated. The main numerical novelties consist in defining the gas-liquid coupling based on the bubble size to mesh resolution ratio (Dp/Δx) and the interpolation between Eulerian and Lagrangian frameworks through the use of delta functions. The model's performance is thoroughly validated for a bubble plume in a cubic tank in initially quiescent water using experimental data obtained from high-resolution ADV and PIV measurements. The predicted time-averaged velocities and second-order statistics show good agreement with the measurements, including the reproduction of the anisotropic nature of the plume's turbulence. Further, the predicted Eulerian and Lagrangian velocity fields, second-order turbulence statistics and interfacial gas-liquid forces are quantified and discussed as well as the visualization of the time-averaged primary and secondary flow structure in the tank.

Lagrangian predictability characteristics of an Ocean Model

NASA Astrophysics Data System (ADS)

Lacorata, Guglielmo; Palatella, Luigi; Santoleri, Rosalia

2014-11-01

The Mediterranean Forecasting System (MFS) Ocean Model, provided by INGV, has been chosen as case study to analyze Lagrangian trajectory predictability by means of a dynamical systems approach. To this regard, numerical trajectories are tested against a large amount of Mediterranean drifter data, used as sample of the actual tracer dynamics across the sea. The separation rate of a trajectory pair is measured by computing the Finite-Scale Lyapunov Exponent (FSLE) of first and second kind. An additional kinematic Lagrangian model (KLM), suitably treated to avoid "sweeping"-related problems, has been nested into the MFS in order to recover, in a statistical sense, the velocity field contributions to pair particle dispersion, at mesoscale level, smoothed out by finite resolution effects. Some of the results emerging from this work are: (a) drifter pair dispersion displays Richardson's turbulent diffusion inside the [10-100] km range, while numerical simulations of MFS alone (i.e., without subgrid model) indicate exponential separation; (b) adding the subgrid model, model pair dispersion gets very close to observed data, indicating that KLM is effective in filling the energy "mesoscale gap" present in MFS velocity fields; (c) there exists a threshold size beyond which pair dispersion becomes weakly sensitive to the difference between model and "real" dynamics; (d) the whole methodology here presented can be used to quantify model errors and validate numerical current fields, as far as forecasts of Lagrangian dispersion are concerned.

COLA with scale-dependent growth: applications to screened modified gravity models

NASA Astrophysics Data System (ADS)

Winther, Hans A.; Koyama, Kazuya; Manera, Marc; Wright, Bill S.; Zhao, Gong-Bo

2017-08-01

We present a general parallelized and easy-to-use code to perform numerical simulations of structure formation using the COLA (COmoving Lagrangian Acceleration) method for cosmological models that exhibit scale-dependent growth at the level of first and second order Lagrangian perturbation theory. For modified gravity theories we also include screening using a fast approximate method that covers all the main examples of screening mechanisms in the literature. We test the code by comparing it to full simulations of two popular modified gravity models, namely f(R) gravity and nDGP, and find good agreement in the modified gravity boost-factors relative to ΛCDM even when using a fairly small number of COLA time steps.

Forecasting Future Sea Ice Conditions: A Lagrangian Approach

DTIC Science & Technology

2015-09-30

1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Forecasting Future Sea Ice Conditions: A Lagrangian ...GCMs participating in IPCC AR5 agree with observed source region patterns from the satellite- derived dataset. 4- Compare Lagrangian ice... Lagrangian sea-ice back trajectories to estimate thermodynamic and dynamic (advection) ice loss. APPROACH We use a Lagrangian trajectory model to

Three dimensional Lagrangian structures in the Antarctic Polar Vortex.

NASA Astrophysics Data System (ADS)

Mancho, Ana M.; Garcia-Garrido, Victor J.; Curbelo, Jezabel; Niang, Coumba; Mechoso, Carlos R.; Wiggins, Stephen

2017-04-01

Dynamical systems theory has supported the description of transport processes in fluid dynamics. For understanding trajectory patterns in chaotic advection the geometrical approach by Poincaré seeks for spatial structures that separate regions corresponding to qualitatively different types of trajectories. These structures have been referred to as Lagrangian Coherent Structures (LCS), which typically in geophysical flows are well described under the approach of incompressible 2D flows. Different tools have been used to visualize LCS. In this presentation we use Lagrangian Descriptors [1,2,3,4] (function M) for visualizing 3D Lagrangian structures in the atmosphere, in particular in the Antarctic Polar Vortex. The function M is computed in a fully 3D incompressible flow obtained from data provided by the European Centre for Medium-Range Weather Forecast and it is represented in 2D surfaces. We discuss the findings during the final warming that took place in the spring of 1979 [5]. This research is supported by MINECO grant MTM2014-56392-R. Support is acknowledged also from CSIC grant COOPB20265, U.S. NSF grant AGS-1245069 and ONR grant No. N00014- 01-1-0769. C. Niang acknowledges Fundacion Mujeres por Africa and ICMAT Severo Ochoa project SEV-2011-0087 for financial support. [1] C. Mendoza, A. M. Mancho. The hidden geometry of ocean flows. Physical Review Letters 105 (2010), 3, 038501-1-038501-4. [2] A. M. Mancho, S. Wiggins, J. Curbelo, C. Mendoza. Lagrangian Descriptors: A Method for Revealing Phase Space Structures of General Time Dependent Dynamical Systems. Communications in Nonlinear Science and Numerical Simulation. 18 (2013) 3530-3557. [3] C. Lopesino, F. Balibrea-Iniesta, S. Wiggins and A. M. Mancho. Lagrangian descriptors for two dimensional, area preserving autonomous and nonautonomous maps. Communications in Nonlinear Science and Numerical Simulations, 27 (2015) (1-3), 40-51. [4] C. Lopesino, F. Balibrea-Iniesta, V. J. García-Garrido, S. Wiggins, and A

Lagrangian velocity and acceleration correlations of large inertial particles in a closed turbulent flow

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

Machicoane, Nathanaël; Volk, Romain

We investigate the response of large inertial particle to turbulent fluctuations in an inhomogeneous and anisotropic flow. We conduct a Lagrangian study using particles both heavier and lighter than the surrounding fluid, and whose diameters are comparable to the flow integral scale. Both velocity and acceleration correlation functions are analyzed to compute the Lagrangian integral time and the acceleration time scale of such particles. The knowledge of how size and density affect these time scales is crucial in understanding particle dynamics and may permit stochastic process modelization using two-time models (for instance, Sawford’s). As particles are tracked over long timesmore » in the quasi-totality of a closed flow, the mean flow influences their behaviour and also biases the velocity time statistics, in particular the velocity correlation functions. By using a method that allows for the computation of turbulent velocity trajectories, we can obtain unbiased Lagrangian integral time. This is particularly useful in accessing the scale separation for such particles and to comparing it to the case of fluid particles in a similar configuration.« less

V-ONSET: Introducing turbulent multiphase flow facility focusing on Lagrangian interfacial transfer dynamics

NASA Astrophysics Data System (ADS)

Salibindla, Ashwanth; Masuk, Ashik Ullah Mohammad; Ni, Rui

2017-11-01

We have designed and constructed a new vertical water tunnel, V-ONSET, to investigate interfacial mass, momentum and energy transfer between two phases in a Lagrangian frame. This system features an independent control of mean flow and turbulence level. The mean flow opposes the rising/falling velocity of the second phase, ``suspending'' the particles and increasing tracking time in the view area. Strong turbulence is generated by shooting 88 digitally-controlled water jets into the test section. The second phase, either bubbles or oil droplets, can be introduced into the test section through a capillary island. In addition to this flow control system, V-ONSET comes with a 3D two-phase visualization system, consisting of high-speed cameras, two-colored LED system, and in-house Lagrangian particle tracking algorithm. This enables us to acquire the Lagrangian evolution of both phases and the interfacial transfer dynamics in between, paving the way for new closure models for two-phase simulations. Financial support for this project was provided by National Science Foundation under Grant Number: 1653389 and 1705246.

An updated Lagrangian discontinuous Galerkin hydrodynamic method for gas dynamics

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

Wu, Tong; Shashkov, Mikhail Jurievich; Morgan, Nathaniel Ray

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for gas dynamics. The new method evolves conserved unknowns in the current configuration, which obviates the Jacobi matrix that maps the element in a reference coordinate system or the initial coordinate system to the current configuration. The density, momentum, and total energy (ρ, ρu, E) are approximated with conservative higher-order Taylor expansions over the element and are limited toward a piecewise constant field near discontinuities using a limiter. Two new limiting methods are presented for enforcing the bounds on the primitive variables of density, velocity, and specific internal energymore » (ρ, u, e). The nodal velocity, and the corresponding forces, are calculated by solving an approximate Riemann problem at the element nodes. An explicit second-order method is used to temporally advance the solution. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. 1D Cartesian coordinates test problem results are presented to demonstrate the accuracy and convergence order of the new DG method with the new limiters.« less

An updated Lagrangian discontinuous Galerkin hydrodynamic method for gas dynamics

DOE PAGES

Wu, Tong; Shashkov, Mikhail Jurievich; Morgan, Nathaniel Ray; ...

2018-04-09

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for gas dynamics. The new method evolves conserved unknowns in the current configuration, which obviates the Jacobi matrix that maps the element in a reference coordinate system or the initial coordinate system to the current configuration. The density, momentum, and total energy (ρ, ρu, E) are approximated with conservative higher-order Taylor expansions over the element and are limited toward a piecewise constant field near discontinuities using a limiter. Two new limiting methods are presented for enforcing the bounds on the primitive variables of density, velocity, and specific internal energymore » (ρ, u, e). The nodal velocity, and the corresponding forces, are calculated by solving an approximate Riemann problem at the element nodes. An explicit second-order method is used to temporally advance the solution. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. 1D Cartesian coordinates test problem results are presented to demonstrate the accuracy and convergence order of the new DG method with the new limiters.« less

Lagrangian dynamics of the mistral during the HyMeX SOP2

NASA Astrophysics Data System (ADS)

Drobinski, P.; Alonzo, B.; Basdevant, C.; Cocquerez, P.; Doerenbecher, A.; Fourrié, N.; Nuret, M.

2017-02-01

The mistral refers to a severe wind blowing over the Gulf of Lions after being channeled in the Rhone valley. It influences the western Mediterranean climate as it brings cold and dry continental air over the warm western Mediterranean, generating intense air-sea heat exchanges and sea surface cooling, inducing the formation of the western Mediterranean deep water that moves into the Atlantic Ocean. The mistral is frequently observed to extend as far as a few hundred kilometers from the coast, and its fine-scale dynamics over the sea is still only partially understood as finely resolved observations in time and space are lacking. The boundary layer pressurized balloons (BLPB) developed by the Centre National d'Etudes Spatiales and deployed during HyMeX SOP2 allowed the Lagrangian documentation of the mistral events that occurred between beginning of February to mid-March 2013. Analyzed in synergy with the AROME-WMED weather forecast model, all the terms of the Lagrangian formulation of the momentum conservation equation could be quantified showing three different regions: (1) an injection zone where the mistral flow is directed toward the center of the Genoa cyclone due to a strong zonal pressure gradient, enhanced friction, and entrainment in the mountain wake; (2) an ejection zone where the flow is deflected outward of the cyclone due to either the nonnegligible inertia pseudoforce or an inertial oscillation caused by a sudden friction decrease; and (3) a region of geostrophic deceleration due to the weakening of the pressure gradient.

Lagrangian dynamics of the mistral during the HyMeX SOP2

NASA Astrophysics Data System (ADS)

Drobinski, Philippe; Alonzo, Bastien; Basdevant, Claude; Cocquerez, Philippe; Fourrié, Nadia; Nuret, Mathieu

2017-04-01

The mistral refers to a severe wind blowing over the Gulf of Lions after being channeled in the Rhone valley. It influences the western Mediterranean climate as it brings cold and dry continental air over the warm western Mediterranean, generating intense air-sea heat exchanges and sea surface cooling, inducing the formation of the western Mediterranean deep water that moves into the Atlantic Ocean. The mistral is frequently observed to extend as far as a few hundred kilometers from the coast, and its fine-scale dynamics over the sea is still only partially understood as finely resolved observations in time and space are lacking. The boundary layer pressurized balloons (BLPB) developed by the Centre National d'Etudes Spatiales and deployed during HyMeX SOP2 allowed the Lagrangian documentation of the mistral events that occurred between beginning of February to mid-March 2013. Analyzed in synergy with the AROME-WMED weather forecast model, all the terms of the Lagrangian formulation of the momentum conservation equation could be quantified showing three different regions: (1) an injection zone where the mistral flow is directed toward the center of the Genoa cyclone due to a strong zonal pressure gradient, enhanced friction, and entrainment in the mountain wake; (2) an ejection zone where the flow is deflected outward of the cyclone due to either the nonnegligible inertia pseudoforce or an inertial oscillation caused by a sudden friction decrease; and (3) a region of geostrophic deceleration due to the weakening of the pressure gradient.

Elements of Dynamics of a One-Dimensional Trapped Bose-Einstein Condensate Excited by a Time-Dependent Dimple: A Lagrangian Variational Approach

NASA Astrophysics Data System (ADS)

Sakhel, Asaad R.; Sakhel, Roger R.

2018-02-01

We examine the dynamics of a one-dimensional harmonically trapped Bose-Einstein condensate (BEC), induced by the addition of a dimple trap whose depth oscillates with time. For this purpose, the Lagrangian variational method (LVM) is applied to provide the required analytical equations. The goal is to provide an analytical explanation for the quasiperiodic oscillations of the BEC size at resonance, that is additional to the one given by Adhikari (J Phys B At Mol Opt Phys 36:1109, 2003). It is shown that LVM is able to reproduce instabilities in the dynamics along the same lines outlined by Lellouch et al. (Phys Rev X 7:021015, 2017). Moreover, it is found that at resonance the energy dynamics display ordered oscillations, whereas at off-resonance they tend to be chaotic. Further, by using the Poincare-Lindstedt method to solve the LVM equation of motion, the resulting solution is able to reproduce the quasiperiodic oscillations of the BEC.

Dynamic isoperimetry and the geometry of Lagrangian coherent structures

NASA Astrophysics Data System (ADS)

Froyland, Gary

2015-10-01

The study of transport and mixing processes in dynamical systems is particularly important for the analysis of mathematical models of physical systems. We propose a novel, direct geometric method to identify subsets of phase space that remain strongly coherent over a finite time duration. This new method is based on a dynamic extension of classical (static) isoperimetric problems; the latter are concerned with identifying submanifolds with the smallest boundary size relative to their volume. The present work introduces dynamic isoperimetric problems; the study of sets with small boundary size relative to volume as they are evolved by a general dynamical system. We formulate and prove dynamic versions of the fundamental (static) isoperimetric (in)equalities; a dynamic Federer-Fleming theorem and a dynamic Cheeger inequality. We introduce a new dynamic Laplace operator and describe a computational method to identify coherent sets based on eigenfunctions of the dynamic Laplacian. Our results include formal mathematical statements concerning geometric properties of finite-time coherent sets, whose boundaries can be regarded as Lagrangian coherent structures. The computational advantages of our new approach are a well-separated spectrum for the dynamic Laplacian, and flexibility in appropriate numerical approximation methods. Finally, we demonstrate that the dynamic Laplace operator can be realised as a zero-diffusion limit of a newly advanced probabilistic transfer operator method [9] for finding coherent sets, which is based on small diffusion. Thus, the present approach sits naturally alongside the probabilistic approach [9], and adds a formal geometric interpretation.

COLAcode: COmoving Lagrangian Acceleration code

NASA Astrophysics Data System (ADS)

Tassev, Svetlin V.

2016-02-01

COLAcode is a serial particle mesh-based N-body code illustrating the COLA (COmoving Lagrangian Acceleration) method; it solves for Large Scale Structure (LSS) in a frame that is comoving with observers following trajectories calculated in Lagrangian Perturbation Theory (LPT). It differs from standard N-body code by trading accuracy at small-scales to gain computational speed without sacrificing accuracy at large scales. This is useful for generating large ensembles of accurate mock halo catalogs required to study galaxy clustering and weak lensing; such catalogs are needed to perform detailed error analysis for ongoing and future surveys of LSS.

A quasi-Lagrangian finite element method for the Navier-Stokes equations in a time-dependent domain

NASA Astrophysics Data System (ADS)

Lozovskiy, Alexander; Olshanskii, Maxim A.; Vassilevski, Yuri V.

2018-05-01

The paper develops a finite element method for the Navier-Stokes equations of incompressible viscous fluid in a time-dependent domain. The method builds on a quasi-Lagrangian formulation of the problem. The paper provides stability and convergence analysis of the fully discrete (finite-difference in time and finite-element in space) method. The analysis does not assume any CFL time-step restriction, it rather needs mild conditions of the form $\\Delta t\\le C$, where $C$ depends only on problem data, and $h^{2m_u+2}\\le c\\,\\Delta t$, $m_u$ is polynomial degree of velocity finite element space. Both conditions result from a numerical treatment of practically important non-homogeneous boundary conditions. The theoretically predicted convergence rate is confirmed by a set of numerical experiments. Further we apply the method to simulate a flow in a simplified model of the left ventricle of a human heart, where the ventricle wall dynamics is reconstructed from a sequence of contrast enhanced Computed Tomography images.

Coherent Lagrangian swirls among submesoscale motions.

PubMed

Beron-Vera, F J; Hadjighasem, A; Xia, Q; Olascoaga, M J; Haller, G

2018-03-05

The emergence of coherent Lagrangian swirls (CLSs) among submesoscale motions in the ocean is illustrated. This is done by applying recent nonlinear dynamics tools for Lagrangian coherence detection on a surface flow realization produced by a data-assimilative submesoscale-permitting ocean general circulation model simulation of the Gulf of Mexico. Both mesoscale and submesoscale CLSs are extracted. These extractions prove the relevance of coherent Lagrangian eddies detected in satellite-altimetry-based geostrophic flow data for the arguably more realistic ageostrophic multiscale flow.

Hamiltonian analysis for linearly acceleration-dependent Lagrangians

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

Cruz, Miguel, E-mail: miguelcruz02@uv.mx, E-mail: roussjgc@gmail.com, E-mail: molgado@fc.uaslp.mx, E-mail: efrojas@uv.mx; Gómez-Cortés, Rosario, E-mail: miguelcruz02@uv.mx, E-mail: roussjgc@gmail.com, E-mail: molgado@fc.uaslp.mx, E-mail: efrojas@uv.mx; Rojas, Efraín, E-mail: miguelcruz02@uv.mx, E-mail: roussjgc@gmail.com, E-mail: molgado@fc.uaslp.mx, E-mail: efrojas@uv.mx

2016-06-15

We study the constrained Ostrogradski-Hamilton framework for the equations of motion provided by mechanical systems described by second-order derivative actions with a linear dependence in the accelerations. We stress out the peculiar features provided by the surface terms arising for this type of theories and we discuss some important properties for this kind of actions in order to pave the way for the construction of a well defined quantum counterpart by means of canonical methods. In particular, we analyse in detail the constraint structure for these theories and its relation to the inherent conserved quantities where the associated energies togethermore » with a Noether charge may be identified. The constraint structure is fully analyzed without the introduction of auxiliary variables, as proposed in recent works involving higher order Lagrangians. Finally, we also provide some examples where our approach is explicitly applied and emphasize the way in which our original arrangement results in propitious for the Hamiltonian formulation of covariant field theories.« less

A multi-scale residual-based anti-hourglass control for compatible staggered Lagrangian hydrodynamics

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

Kucharik, M.; Scovazzi, Guglielmo; Shashkov, Mikhail Jurievich

Hourglassing is a well-known pathological numerical artifact affecting the robustness and accuracy of Lagrangian methods. There exist a large number of hourglass control/suppression strategies. In the community of the staggered compatible Lagrangian methods, the approach of sub-zonal pressure forces is among the most widely used. However, this approach is known to add numerical strength to the solution, which can cause potential problems in certain types of simulations, for instance in simulations of various instabilities. To avoid this complication, we have adapted the multi-scale residual-based stabilization typically used in the finite element approach for staggered compatible framework. In this study, wemore » describe two discretizations of the new approach and demonstrate their properties and compare with the method of sub-zonal pressure forces on selected numerical problems.« less

A multi-scale residual-based anti-hourglass control for compatible staggered Lagrangian hydrodynamics

DOE PAGES

Kucharik, M.; Scovazzi, Guglielmo; Shashkov, Mikhail Jurievich; ...

2017-10-28

Hourglassing is a well-known pathological numerical artifact affecting the robustness and accuracy of Lagrangian methods. There exist a large number of hourglass control/suppression strategies. In the community of the staggered compatible Lagrangian methods, the approach of sub-zonal pressure forces is among the most widely used. However, this approach is known to add numerical strength to the solution, which can cause potential problems in certain types of simulations, for instance in simulations of various instabilities. To avoid this complication, we have adapted the multi-scale residual-based stabilization typically used in the finite element approach for staggered compatible framework. In this study, wemore » describe two discretizations of the new approach and demonstrate their properties and compare with the method of sub-zonal pressure forces on selected numerical problems.« less

Parallel Decomposition of the Fictitious Lagrangian Algorithm and its Accuracy for Molecular Dynamics Simulations of Semiconductors.

NASA Astrophysics Data System (ADS)

Yeh, Mei-Ling

We have performed a parallel decomposition of the fictitious Lagrangian method for molecular dynamics with tight-binding total energy expression into the hypercube computer. This is the first time in literature that the dynamical simulation of semiconducting systems containing more than 512 silicon atoms has become possible with the electrons treated as quantum particles. With the utilization of the Intel Paragon system, our timing analysis predicts that our code is expected to perform realistic simulations on very large systems consisting of thousands of atoms with time requirements of the order of tens of hours. Timing results and performance analysis of our parallel code are presented in terms of calculation time, communication time, and setup time. The accuracy of the fictitious Lagrangian method in molecular dynamics simulation is also investigated, especially the energy conservation of the total energy of ions. We find that the accuracy of the fictitious Lagrangian scheme in small silicon cluster and very large silicon system simulations is good for as long as the simulations proceed, even though we quench the electronic coordinates to the Born-Oppenheimer surface only in the beginning of the run. The kinetic energy of electrons does not increase as time goes on, and the energy conservation of the ionic subsystem remains very good. This means that, as far as the ionic subsystem is concerned, the electrons are on the average in the true quantum ground states. We also tie up some odds and ends regarding a few remaining questions about the fictitious Lagrangian method, such as the difference between the results obtained from the Gram-Schmidt and SHAKE method of orthonormalization, and differences between simulations where the electrons are quenched to the Born -Oppenheimer surface only once compared with periodic quenching.

Testing higher-order Lagrangian perturbation theory against numerical simulations. 2: Hierarchical models

NASA Technical Reports Server (NTRS)

Melott, A. L.; Buchert, T.; Weib, A. G.

1995-01-01

We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of scales. The Lagrangian theory of gravitational instability of Friedmann-Lemaitre cosmogonies is compared with numerical simulations. We study the dynamics of hierarchical models as a second step. In the first step we analyzed the performance of the Lagrangian schemes for pancake models, the difference being that in the latter models the initial power spectrum is truncated. This work probed the quasi-linear and weakly non-linear regimes. We here explore whether the results found for pancake models carry over to hierarchical models which are evolved deeply into the non-linear regime. We smooth the initial data by using a variety of filter types and filter scales in order to determine the optimal performance of the analytical models, as has been done for the 'Zel'dovich-approximation' - hereafter TZA - in previous work. We find that for spectra with negative power-index the second-order scheme performs considerably better than TZA in terms of statistics which probe the dynamics, and slightly better in terms of low-order statistics like the power-spectrum. However, in contrast to the results found for pancake models, where the higher-order schemes get worse than TZA at late non-linear stages and on small scales, we here find that the second-order model is as robust as TZA, retaining the improvement at later stages and on smaller scales. In view of these results we expect that the second-order truncated Lagrangian model is especially useful for the modelling of standard dark matter models such as Hot-, Cold-, and Mixed-Dark-Matter.

Predictability of the Lagrangian Motion in the Upper Ocean

NASA Astrophysics Data System (ADS)

Piterbarg, L. I.; Griffa, A.; Griffa, A.; Mariano, A. J.; Ozgokmen, T. M.; Ryan, E. H.

2001-12-01

The complex non-linear dynamics of the upper ocean leads to chaotic behavior of drifter trajectories in the ocean. Our study is focused on estimating the predictability limit for the position of an individual Lagrangian particle or a particle cluster based on the knowledge of mean currents and observations of nearby particles (predictors). The Lagrangian prediction problem, besides being a fundamental scientific problem, is also of great importance for practical applications such as search and rescue operations and for modeling the spread of fish larvae. A stochastic multi-particle model for the Lagrangian motion has been rigorously formulated and is a generalization of the well known "random flight" model for a single particle. Our model is mathematically consistent and includes a few easily interpreted parameters, such as the Lagrangian velocity decorrelation time scale, the turbulent velocity variance, and the velocity decorrelation radius, that can be estimated from data. The top Lyapunov exponent for an isotropic version of the model is explicitly expressed as a function of these parameters enabling us to approximate the predictability limit to first order. Lagrangian prediction errors for two new prediction algorithms are evaluated against simple algorithms and each other and are used to test the predictability limits of the stochastic model for isotropic turbulence. The first algorithm is based on a Kalman filter and uses the developed stochastic model. Its implementation for drifter clusters in both the Tropical Pacific and Adriatic Sea, showed good prediction skill over a period of 1-2 weeks. The prediction error is primarily a function of the data density, defined as the number of predictors within a velocity decorrelation spatial scale from the particle to be predicted. The second algorithm is model independent and is based on spatial regression considerations. Preliminary results, based on simulated, as well as, real data, indicate that it performs

Dry intrusions: Lagrangian climatology and impact on the boundary layer

NASA Astrophysics Data System (ADS)

Raveh-Rubin, Shira; Wernli, Heini

2017-04-01

Dry air intrusions (DIs) are large-scale descending airstreams. A DI is typically referred to as a coherent airstream in the cold sector of an extratropical cyclone. Emerging evidence suggests that DIs are linked to severe surface wind gusts. However, there is yet no strict Lagrangian definition of DIs, and so their climatological frequency, dynamical characteristics as well as their seasonal and spatial distributions are unknown. Furthermore, the dynamical interaction between DIs and the planetary boundary layer is not fully understood. Here, we suggest a Lagrangian definition for DI air parcels, namely a minimum pressure increase along a trajectory of 400 hPa in 48 hours. Based on this criterion, the open questions are addressed by: (i) a novel global Lagrangian climatology for the ECMWF ERA-Interim reanalysis dataset for the years 1979-2014; (ii) a case study illustrating the interaction between DIs and the boundary layer. We find that DIs occur predominantly in winter. DIs coherently descend from the upper troposphere (their stratospheric origin is small), to the mid- and low levels, where they mix with their environment and diverge. Different physical characteristics typify DIs in the different regions and seasons. Finally, we demonstrate the different mechanisms by which DIs can destabilize the boundary layer and facilitate the formation of strong surface winds.

On tide-induced Lagrangian residual current and residual transport: 1. Lagrangian residual current

USGS Publications Warehouse

Feng, Shizuo; Cheng, Ralph T.; Pangen, Xi

1986-01-01

Residual currents in tidal estuaries and coastal embayments have been recognized as fundamental factors which affect the long-term transport processes. It has been pointed out by previous studies that it is more relevant to use a Lagrangian mean velocity than an Eulerian mean velocity to determine the movements of water masses. Under weakly nonlinear approximation, the parameter k, which is the ratio of the net displacement of a labeled water mass in one tidal cycle to the tidal excursion, is assumed to be small. Solutions for tides, tidal current, and residual current have been considered for two-dimensional, barotropic estuaries and coastal seas. Particular attention has been paid to the distinction between the Lagrangian and Eulerian residual currents. When k is small, the first-order Lagrangian residual is shown to be the sum of the Eulerian residual current and the Stokes drift. The Lagrangian residual drift velocity or the second-order Lagrangian residual current has been shown to be dependent on the phase of tidal current. The Lagrangian drift velocity is induced by nonlinear interactions between tides, tidal currents, and the first-order residual currents, and it takes the form of an ellipse on a hodograph plane. Several examples are given to further demonstrate the unique properties of the Lagrangian residual current.

A contemporary look at Hermann Hankel's 1861 pioneering work on Lagrangian fluid dynamics

NASA Astrophysics Data System (ADS)

Frisch, Uriel; Grimberg, Gérard; Villone, Barbara

2017-12-01

The present paper is a companion to the paper by Villone and Rampf (2017), titled "Hermann Hankel's On the general theory of motion of fluids, an essay including an English translation of the complete Preisschrift from 1861" together with connected documents [Eur. Phys. J. H 42, 557-609 (2017)]. Here we give a critical assessment of Hankel's work, which covers many important aspects of fluid dynamics considered from a Lagrangian-coordinates point of view: variational formulation in the spirit of Hamilton for elastic (barotropic) fluids, transport (we would now say Lie transport) of vorticity, the Lagrangian significance of Clebsch variables, etc. Hankel's work is also put in the perspective of previous and future work. Hence, the action spans about two centuries: from Lagrange's 1760-1761 Turin paper on variational approaches to mechanics and fluid mechanics problems to Arnold's 1966 founding paper on the geometrical/variational formulation of incompressible flow. The 22-year-old Hankel - who was to die 12 years later — emerges as a highly innovative master of mathematical fluid dynamics, fully deserving Riemann's assessment that his Preisschrift contains "all manner of good things."

Lagrangian motion, coherent structures, and lines of persistent material strain.

PubMed

Samelson, R M

2013-01-01

Lagrangian motion in geophysical fluids may be strongly influenced by coherent structures that support distinct regimes in a given flow. The problems of identifying and demarcating Lagrangian regime boundaries associated with dynamical coherent structures in a given velocity field can be studied using approaches originally developed in the context of the abstract geometric theory of ordinary differential equations. An essential insight is that when coherent structures exist in a flow, Lagrangian regime boundaries may often be indicated as material curves on which the Lagrangian-mean principal-axis strain is large. This insight is the foundation of many numerical techniques for identifying such features in complex observed or numerically simulated ocean flows. The basic theoretical ideas are illustrated with a simple, kinematic traveling-wave model. The corresponding numerical algorithms for identifying candidate Lagrangian regime boundaries and lines of principal Lagrangian strain (also called Lagrangian coherent structures) are divided into parcel and bundle schemes; the latter include the finite-time and finite-size Lyapunov exponent/Lagrangian strain (FTLE/FTLS and FSLE/FSLS) metrics. Some aspects and results of oceanographic studies based on these approaches are reviewed, and the results are discussed in the context of oceanographic observations of dynamical coherent structures.

Getting Things Sorted With Lagrangian Coherent Structures

NASA Astrophysics Data System (ADS)

Atis, Severine; Peacock, Thomas; Environmental Dynamics Laboratory Team

2014-11-01

The dispersion of a tracer in a fluid flow is influenced by the Lagrangian motion of fluid elements. Even in laminar regimes, the irregular chaotic behavior of a fluid flow can lead to effective stirring that rapidly redistributes a tracer throughout the domain. For flows with arbitrary time-dependence, the modern approach of Lagrangian Coherent Structures (LCSs) provide a method for identifying the key material lines that organize flow transport. When the advected tracer particles possess a finite size and nontrivial shape, however, their dynamics can differ markedly from passive tracers, thus affecting the dispersion phenomena. We present details of numerical simulations and laboratory experiments that investigate the behavior of finite size particles in 2-dimensional chaotic flows. We show that the shape and the size of the particles alter the underlying LCSs, facilitating segregation between tracers of different shape in the same flow field.

Implications of Lagrangian transport for coupled chemistry-climate simulations

NASA Astrophysics Data System (ADS)

Stenke, A.; Dameris, M.; Grewe, V.; Garny, H.

2008-10-01

For the first time a purely Lagrangian transport algorithm is applied in a fully coupled chemistry-climate model (CCM). We use the Lagrangian scheme ATTILA for the transport of water vapour, cloud water and chemical trace species in the ECHAM4.L39(DLR)/CHEM (E39C) CCM. The advantage of the Lagrangian approach is that it is numerically non-diffusive and therefore maintains steeper and more realistic gradients than the operational semi-Lagrangian transport scheme. In case of radiatively active species changes in the simulated distributions feed back to model dynamics which in turn affect the modelled transport. The implications of the Lagrangian transport scheme for stratospheric model dynamics and tracer distributions in the upgraded model version E39C-ATTILA (E39C-A) are evaluated by comparison with observations and results of the E39C model with the operational semi-Lagrangian advection scheme. We find that several deficiencies in stratospheric dynamics in E39C seem to originate from a pronounced modelled wet bias and an associated cold bias in the extra-tropical lowermost stratosphere. The reduction of the simulated moisture and temperature bias in E39C-A leads to a significant advancement of stratospheric dynamics in terms of the mean state as well as annual and interannual variability. As a consequence of the favourable numerical characteristics of the Lagrangian transport scheme and the improved model dynamics, E39C-A generally shows more realistic stratospheric tracer distributions: Compared to E39C high stratospheric chlorine (Cly) concentrations extend further downward and agree now well with analyses derived from observations. Therefore E39C-A realistically covers the altitude of maximum ozone depletion in the stratosphere. The location of the ozonopause, i.e. the transition from low tropospheric to high stratospheric ozone values, is also clearly improved in E39C-A. Furthermore, the simulated temporal evolution of stratospheric Cly in the past is

Species and Scale Dependence of Bacterial Motion Dynamics

NASA Astrophysics Data System (ADS)

Sund, N. L.; Yang, X.; Parashar, R.; Plymale, A.; Hu, D.; Kelly, R.; Scheibe, T. D.

2017-12-01

Many metal reducing bacteria are motile with their motion characteristics described by run-and-tumble behavior exhibiting series of flights (jumps) and waiting (residence) time spanning a wide range of values. Accurate models of motility allow for improved design and evaluation of in-situ bioremediation in the subsurface. While many bioremediation models neglect the motion of the bacteria, others treat motility using an advection dispersion equation, which assumes that the motion of the bacteria is Brownian.The assumption of Brownian motion to describe motility has enormous implications on predictive capabilities of bioremediation models, yet experimental evidence of this assumption is mixed [1][2][3]. We hypothesize that this is due to the species and scale dependence of the motion dynamics. We test our hypothesis by analyzing videos of motile bacteria of five different species in open domains. Trajectories of individual cells ranging from several seconds to few minutes in duration are extracted in neutral conditions (in the absence of any chemical gradient). The density of the bacteria is kept low so that the interaction between the bacteria is minimal. Preliminary results show a transition from Fickian (Brownian) to non-Fickian behavior for one species of bacteria (Pelosinus) and persistent Fickian behavior of another species (Geobacter).Figure: Video frames of motile bacteria with the last 10 seconds of their trajectories drawn in red. (left) Pelosinus and (right) Geobacter.[1] Ariel, Gil, et al. "Swarming bacteria migrate by Lévy Walk." Nature Communications 6 (2015).[2] Saragosti, Jonathan, Pascal Silberzan, and Axel Buguin. "Modeling E. coli tumbles by rotational diffusion. Implications for chemotaxis." PloS one 7.4 (2012): e35412.[3] Wu, Mingming, et al. "Collective bacterial dynamics revealed using a three-dimensional population-scale defocused particle tracking technique." Applied and Environmental Microbiology 72.7 (2006): 4987-4994.

Applying Boundary Conditions Using a Time-Dependent Lagrangian for Modeling Laser-Plasma Interactions

NASA Astrophysics Data System (ADS)

Reyes, Jonathan; Shadwick, B. A.

2016-10-01

Modeling the evolution of a short, intense laser pulse propagating through an underdense plasma is of particular interest in the physics of laser-plasma interactions. Numerical models are typically created by first discretizing the equations of motion and then imposing boundary conditions. Using the variational principle of Chen and Sudan, we spatially discretize the Lagrangian density to obtain discrete equations of motion and a discrete energy conservation law which is exactly satisfied regardless of the spatial grid resolution. Modifying the derived equations of motion (e.g., enforcing boundary conditions) generally ruins energy conservation. However, time-dependent terms can be added to the Lagrangian which force the equations of motion to have the desired boundary conditions. Although some foresight is needed to choose these time-dependent terms, this approach provides a mechanism for energy to exit the closed system while allowing the conservation law to account for the loss. An appropriate time discretization scheme is selected based on stability analysis and resolution requirements. We present results using this variational approach in a co-moving coordinate system and compare such results to those using traditional second-order methods. This work was supported by the U. S. Department of Energy under Contract No. DE-SC0008382 and by the National Science Foundation under Contract No. PHY- 1104683.

Statistical Decoupling of a Lagrangian Fluid Parcel in Newtonian Cosmology

NASA Astrophysics Data System (ADS)

Wang, Xin; Szalay, Alex

2016-03-01

The Lagrangian dynamics of a single fluid element within a self-gravitational matter field is intrinsically non-local due to the presence of the tidal force. This complicates the theoretical investigation of the nonlinear evolution of various cosmic objects, e.g., dark matter halos, in the context of Lagrangian fluid dynamics, since fluid parcels with given initial density and shape may evolve differently depending on their environments. In this paper, we provide a statistical solution that could decouple this environmental dependence. After deriving the evolution equation for the probability distribution of the matter field, our method produces a set of closed ordinary differential equations whose solution is uniquely determined by the initial condition of the fluid element. Mathematically, it corresponds to the projected characteristic curve of the transport equation of the density-weighted probability density function (ρPDF). Consequently it is guaranteed that the one-point ρPDF would be preserved by evolving these local, yet nonlinear, curves with the same set of initial data as the real system. Physically, these trajectories describe the mean evolution averaged over all environments by substituting the tidal tensor with its conditional average. For Gaussian distributed dynamical variables, this mean tidal tensor is simply proportional to the velocity shear tensor, and the dynamical system would recover the prediction of the Zel’dovich approximation (ZA) with the further assumption of the linearized continuity equation. For a weakly non-Gaussian field, the averaged tidal tensor could be expanded perturbatively as a function of all relevant dynamical variables whose coefficients are determined by the statistics of the field.

Water-Channel Estimation of Eulerian and Lagrangian Time Scales of the Turbulence in Idealized Two-Dimensional Urban Canopies

NASA Astrophysics Data System (ADS)

Di Bernardino, Annalisa; Monti, Paolo; Leuzzi, Giovanni; Querzoli, Giorgio

2017-11-01

Lagrangian and Eulerian statistics are obtained from a water-channel experiment of an idealized two-dimensional urban canopy flow in neutral conditions. The objective is to quantify the Eulerian (TE) and Lagrangian (TL) time scales of the turbulence above the canopy layer as well as to investigate their dependence on the aspect ratio of the canopy, AR, as the latter is the ratio of the width ( W) to the height ( H) of the canyon. Experiments are also conducted for the case of flat terrain, which can be thought of as equivalent to a classical one-directional shear flow. The values found for the Eulerian time scales on flat terrain are in agreement with previous numerical results found in the literature. It is found that both the streamwise and vertical components of the Lagrangian time scale, T_u^L and T_w^L , follow Raupach's linear law within the constant-flux layer. The same holds true for T_w^L in both the canopies analyzed (AR= 1 and AR= 2) and also for T_u^L when AR = 1. In contrast, for AR = 2, T_u^L follows Raupach's law only above z=2H. Below that level, T_u^L is nearly constant with height, showing at z=H a value approximately one order of magnitude greater than that found for AR = 1. It is shown that the assumption usually adopted for flat terrain, that β =TL/TE is proportional to the inverse of the turbulence intensity, also holds true even for the canopy flow in the constant-flux layer. In particular, γ /i_u fits well β _u =T_u^L /T_u^E in both the configurations by choosing γ to be 0.35 (here, i_u =σ _u / \\bar{u} , where \\bar{u} and σ _u are the mean and the root-mean-square of the streamwise velocity component, respectively). On the other hand, β _w =T_w^L /T_w^E follows approximately γ /i_w =0.65/( {σ _w /\\bar{u} } ) for z > 2H, irrespective of the AR value. The second main objective is to estimate other parameters of interest in dispersion studies, such as the eddy diffusivity of momentum (KT) and the Kolmogorov constant (C_0). It is

ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines.

PubMed

Chen, Haochuan; Fu, Haohao; Shao, Xueguang; Chipot, Christophe; Cai, Wensheng

2018-06-18

Extended adaptive biasing force (eABF), a collective variable (CV)-based importance-sampling algorithm, has proven to be very robust and efficient compared with the original ABF algorithm. Its implementation in Colvars, a software addition to molecular dynamics (MD) engines, is, however, currently limited to NAMD and LAMMPS. To broaden the scope of eABF and its variants, like its generalized form (egABF), and make them available to other MD engines, e.g., GROMACS, AMBER, CP2K, and openMM, we present a PLUMED-based implementation, called extended-Lagrangian free energy calculation (ELF). This implementation can be used as a stand-alone gradient estimator for other CV-based sampling algorithms, such as temperature-accelerated MD (TAMD) and extended-Lagrangian metadynamics (MtD). ELF provides the end user with a convenient framework to help select the best-suited importance-sampling algorithm for a given application without any commitment to a particular MD engine.

Option volatility and the acceleration Lagrangian

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.; Cao, Yang

2014-01-01

This paper develops a volatility formula for option on an asset from an acceleration Lagrangian model and the formula is calibrated with market data. The Black-Scholes model is a simpler case that has a velocity dependent Lagrangian. The acceleration Lagrangian is defined, and the classical solution of the system in Euclidean time is solved by choosing proper boundary conditions. The conditional probability distribution of final position given the initial position is obtained from the transition amplitude. The volatility is the standard deviation of the conditional probability distribution. Using the conditional probability and the path integral method, the martingale condition is applied, and one of the parameters in the Lagrangian is fixed. The call option price is obtained using the conditional probability and the path integral method.

Multi-Lagrangians for integrable systems

NASA Astrophysics Data System (ADS)

Nutku, Y.; Pavlov, M. V.

2002-03-01

We propose a general scheme to construct multiple Lagrangians for completely integrable nonlinear evolution equations that admit multi-Hamiltonian structure. The recursion operator plays a fundamental role in this construction. We use a conserved quantity higher/lower than the Hamiltonian in the potential part of the new Lagrangian and determine the corresponding kinetic terms by generating the appropriate momentum map. This leads to some remarkable new developments. We show that nonlinear evolutionary systems that admit N-fold first order local Hamiltonian structure can be cast into variational form with 2N-1 Lagrangians which will be local functionals of Clebsch potentials. This number increases to 3N-2 when the Miura transformation is invertible. Furthermore we construct a new Lagrangian for polytropic gas dynamics in 1+1 dimensions which is a free, local functional of the physical field variables, namely density and velocity, thus dispensing with the necessity of introducing Clebsch potentials entirely. This is a consequence of bi-Hamiltonian structure with a compatible pair of first and third order Hamiltonian operators derived from Sheftel's recursion operator.

STATISTICAL DECOUPLING OF A LAGRANGIAN FLUID PARCEL IN NEWTONIAN COSMOLOGY

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

Wang, Xin; Szalay, Alex, E-mail: xwang@cita.utoronto.ca

The Lagrangian dynamics of a single fluid element within a self-gravitational matter field is intrinsically non-local due to the presence of the tidal force. This complicates the theoretical investigation of the nonlinear evolution of various cosmic objects, e.g., dark matter halos, in the context of Lagrangian fluid dynamics, since fluid parcels with given initial density and shape may evolve differently depending on their environments. In this paper, we provide a statistical solution that could decouple this environmental dependence. After deriving the evolution equation for the probability distribution of the matter field, our method produces a set of closed ordinary differentialmore » equations whose solution is uniquely determined by the initial condition of the fluid element. Mathematically, it corresponds to the projected characteristic curve of the transport equation of the density-weighted probability density function (ρPDF). Consequently it is guaranteed that the one-point ρPDF would be preserved by evolving these local, yet nonlinear, curves with the same set of initial data as the real system. Physically, these trajectories describe the mean evolution averaged over all environments by substituting the tidal tensor with its conditional average. For Gaussian distributed dynamical variables, this mean tidal tensor is simply proportional to the velocity shear tensor, and the dynamical system would recover the prediction of the Zel’dovich approximation (ZA) with the further assumption of the linearized continuity equation. For a weakly non-Gaussian field, the averaged tidal tensor could be expanded perturbatively as a function of all relevant dynamical variables whose coefficients are determined by the statistics of the field.« less

An online-coupled NWP/ACT model with conserved Lagrangian levels

NASA Astrophysics Data System (ADS)

Sørensen, B.; Kaas, E.; Lauritzen, P. H.

2012-04-01

Numerical weather and climate modelling is under constant development. Semi-implicit semi-Lagrangian (SISL) models have proven to be numerically efficient in both short-range weather forecasts and climate models, due to the ability to use long time steps. Chemical/aerosol feedback mechanism are becoming more and more relevant in NWP as well as climate models, since the biogenic and anthropogenic emissions can have a direct effect on the dynamics and radiative properties of the atmosphere. To include chemical feedback mechanisms in the NWP models, on-line coupling is crucial. In 3D semi-Lagrangian schemes with quasi-Lagrangian vertical coordinates the Lagrangian levels are remapped to Eulerian model levels each time step. This remapping introduces an undesirable tendency to smooth sharp gradients and creates unphysical numerical diffusion in the vertical distribution. A semi-Lagrangian advection method is introduced, it combines an inherently mass conserving 2D semi-Lagrangian scheme, with a SISL scheme employing both hybrid vertical coordinates and a fully Lagrangian vertical coordinate. This minimizes the vertical diffusion and thus potentially improves the simulation of the vertical profiles of moisture, clouds, and chemical constituents. Since the Lagrangian levels suffer from traditional Lagrangian limitations caused by the convergence and divergence of the flow, remappings to the Eulerian model levels are generally still required - but this need only be applied after a number of time steps - unless dynamic remapping methods are used. For this several different remapping methods has been implemented. The combined scheme is mass conserving, consistent, and multi-tracer efficient.

Lagrangian Timescales of Southern Ocean Upwelling in a Hierarchy of Model Resolutions

NASA Astrophysics Data System (ADS)

Drake, Henri F.; Morrison, Adele K.; Griffies, Stephen M.; Sarmiento, Jorge L.; Weijer, Wilbert; Gray, Alison R.

2018-01-01

In this paper we study upwelling pathways and timescales of Circumpolar Deep Water (CDW) in a hierarchy of models using a Lagrangian particle tracking method. Lagrangian timescales of CDW upwelling decrease from 87 years to 31 years to 17 years as the ocean resolution is refined from 1° to 0.25° to 0.1°. We attribute some of the differences in timescale to the strength of the eddy fields, as demonstrated by temporally degrading high-resolution model velocity fields. Consistent with the timescale dependence, we find that an average Lagrangian particle completes 3.2 circumpolar loops in the 1° model in comparison to 0.9 loops in the 0.1° model. These differences suggest that advective timescales and thus interbasin merging of upwelling CDW may be overestimated by coarse-resolution models, potentially affecting the skill of centennial scale climate change projections.

An overview of a Lagrangian method for analysis of animal wake dynamics.

PubMed

Peng, Jifeng; Dabiri, John O

2008-01-01

The fluid dynamic analysis of animal wakes is becoming increasingly popular in studies of animal swimming and flying, due in part to the development of quantitative flow visualization techniques such as digital particle imaging velocimetry (DPIV). In most studies, quasi-steady flow is assumed and the flow analysis is based on velocity and/or vorticity fields measured at a single time instant during the stroke cycle. The assumption of quasi-steady flow leads to neglect of unsteady (time-dependent) wake vortex added-mass effects, which can contribute significantly to the instantaneous locomotive forces. In this paper we review a Lagrangian approach recently introduced to determine unsteady wake vortex structure by tracking the trajectories of individual fluid particles in the flow, rather than by analyzing the velocity/vorticity fields at fixed locations and single instants in time as in the Eulerian perspective. Once the momentum of the wake vortex and its added mass are determined, the corresponding unsteady locomotive forces can be quantified. Unlike previous studies that estimated the time-averaged forces over the stroke cycle, this approach enables study of how instantaneous locomotive forces evolve over time. The utility of this method for analyses of DPIV velocity measurements is explored, with the goal of demonstrating its applicability to data that are typically available to investigators studying animal swimming and flying. The methods are equally applicable to computational fluid dynamics studies where velocity field calculations are available.

Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.

PubMed

Lemkul, Justin A; Roux, Benoît; van der Spoel, David; MacKerell, Alexander D

2015-07-15

Explicit treatment of electronic polarization in empirical force fields used for molecular dynamics simulations represents an important advancement in simulation methodology. A straightforward means of treating electronic polarization in these simulations is the inclusion of Drude oscillators, which are auxiliary, charge-carrying particles bonded to the cores of atoms in the system. The additional degrees of freedom make these simulations more computationally expensive relative to simulations using traditional fixed-charge (additive) force fields. Thus, efficient tools are needed for conducting these simulations. Here, we present the implementation of highly scalable algorithms in the GROMACS simulation package that allow for the simulation of polarizable systems using extended Lagrangian dynamics with a dual Nosé-Hoover thermostat as well as simulations using a full self-consistent field treatment of polarization. The performance of systems of varying size is evaluated, showing that the present code parallelizes efficiently and is the fastest implementation of the extended Lagrangian methods currently available for simulations using the Drude polarizable force field. © 2015 Wiley Periodicals, Inc.

Lagrangian and Eulerian statistics obtained from direct numerical simulations of homogeneous turbulence

NASA Technical Reports Server (NTRS)

Squires, Kyle D.; Eaton, John K.

1991-01-01

Direct numerical simulation is used to study dispersion in decaying isotropic turbulence and homogeneous shear flow. Both Lagrangian and Eulerian data are presented allowing direct comparison, but at fairly low Reynolds number. The quantities presented include properties of the dispersion tensor, isoprobability contours of particle displacement, Lagrangian and Eulerian velocity autocorrelations and time scale ratios, and the eddy diffusivity tensor. The Lagrangian time microscale is found to be consistently larger than the Eulerian microscale, presumably due to the advection of the small scales by the large scales in the Eulerian reference frame.

Acoustic streaming: an arbitrary Lagrangian-Eulerian perspective.

PubMed

Nama, Nitesh; Huang, Tony Jun; Costanzo, Francesco

2017-08-25

We analyse acoustic streaming flows using an arbitrary Lagrangian Eulerian (ALE) perspective. The formulation stems from an explicit separation of time scales resulting in two subproblems: a first-order problem, formulated in terms of the fluid displacement at the fast scale, and a second-order problem, formulated in terms of the Lagrangian flow velocity at the slow time scale. Following a rigorous time-averaging procedure, the second-order problem is shown to be intrinsically steady, and with exact boundary conditions at the oscillating walls. Also, as the second-order problem is solved directly for the Lagrangian velocity, the formulation does not need to employ the notion of Stokes drift, or any associated post-processing, thus facilitating a direct comparison with experiments. Because the first-order problem is formulated in terms of the displacement field, our formulation is directly applicable to more complex fluid-structure interaction problems in microacoustofluidic devices. After the formulation's exposition, we present numerical results that illustrate the advantages of the formulation with respect to current approaches.

Non-recursive augmented Lagrangian algorithms for the forward and inverse dynamics of constrained flexible multibodies

NASA Technical Reports Server (NTRS)

Bayo, Eduardo; Ledesma, Ragnar

1993-01-01

A technique is presented for solving the inverse dynamics of flexible planar multibody systems. This technique yields the non-causal joint efforts (inverse dynamics) as well as the internal states (inverse kinematics) that produce a prescribed nominal trajectory of the end effector. A non-recursive global Lagrangian approach is used in formulating the equations for motion as well as in solving the inverse dynamics equations. Contrary to the recursive method previously presented, the proposed method solves the inverse problem in a systematic and direct manner for both open-chain as well as closed-chain configurations. Numerical simulation shows that the proposed procedure provides an excellent tracking of the desired end effector trajectory.

A hybrid Lagrangian Voronoi-SPH scheme

NASA Astrophysics Data System (ADS)

Fernandez-Gutierrez, D.; Souto-Iglesias, A.; Zohdi, T. I.

2018-07-01

A hybrid Lagrangian Voronoi-SPH scheme, with an explicit weakly compressible formulation for both the Voronoi and SPH sub-domains, has been developed. The SPH discretization is substituted by Voronoi elements close to solid boundaries, where SPH consistency and boundary conditions implementation become problematic. A buffer zone to couple the dynamics of both sub-domains is used. This zone is formed by a set of particles where fields are interpolated taking into account SPH particles and Voronoi elements. A particle may move in or out of the buffer zone depending on its proximity to a solid boundary. The accuracy of the coupled scheme is discussed by means of a set of well-known verification benchmarks.

A hybrid Lagrangian Voronoi-SPH scheme

NASA Astrophysics Data System (ADS)

Fernandez-Gutierrez, D.; Souto-Iglesias, A.; Zohdi, T. I.

2017-11-01

A hybrid Lagrangian Voronoi-SPH scheme, with an explicit weakly compressible formulation for both the Voronoi and SPH sub-domains, has been developed. The SPH discretization is substituted by Voronoi elements close to solid boundaries, where SPH consistency and boundary conditions implementation become problematic. A buffer zone to couple the dynamics of both sub-domains is used. This zone is formed by a set of particles where fields are interpolated taking into account SPH particles and Voronoi elements. A particle may move in or out of the buffer zone depending on its proximity to a solid boundary. The accuracy of the coupled scheme is discussed by means of a set of well-known verification benchmarks.

Effect of small scale transport processes on phytoplankton distribution in coastal seas.

PubMed

Hernández-Carrasco, Ismael; Orfila, Alejandro; Rossi, Vincent; Garçon, Veronique

2018-06-05

Coastal ocean ecosystems are major contributors to the global biogeochemical cycles and biological productivity. Physical factors induced by the turbulent flow play a crucial role in regulating marine ecosystems. However, while large-scale open-ocean dynamics is well described by geostrophy, the role of multiscale transport processes in coastal regions is still poorly understood due to the lack of continuous high-resolution observations. Here, the influence of small-scale dynamics (O(3.5-25) km, i.e. spanning upper submesoscale and mesoscale processes) on surface phytoplankton derived from satellite chlorophyll-a (Chl-a) is studied using Lagrangian metrics computed from High-Frequency Radar currents. The combination of complementary Lagrangian diagnostics, including the Lagrangian divergence along fluid trajectories, provides an improved description of the 3D flow geometry which facilitates the interpretation of two non-exclusive physical mechanisms affecting phytoplankton dynamics and patchiness. Attracting small-scale fronts, unveiled by backwards Lagrangian Coherent Structures, are associated to negative divergence where particles and Chl-a standing stocks cluster. Filaments of positive divergence, representing large accumulated upward vertical velocities and suggesting accrued injection of subsurface nutrients, match areas with large Chl-a concentrations. Our findings demonstrate that an accurate characterization of small-scale transport processes is necessary to comprehend bio-physical interactions in coastal seas.

Generalized Lagrangian coherent structures

NASA Astrophysics Data System (ADS)

Balasuriya, Sanjeeva; Ouellette, Nicholas T.; Rypina, Irina I.

2018-06-01

The notion of a Lagrangian Coherent Structure (LCS) is by now well established as a way to capture transient coherent transport dynamics in unsteady and aperiodic fluid flows that are known over finite time. We show that the concept of an LCS can be generalized to capture coherence in other quantities of interest that are transported by, but not fully locked to, the fluid. Such quantities include those with dynamic, biological, chemical, or thermodynamic relevance, such as temperature, pollutant concentration, vorticity, kinetic energy, plankton density, and so on. We provide a conceptual framework for identifying the Generalized Lagrangian Coherent Structures (GLCSs) associated with such evolving quantities. We show how LCSs can be seen as a special case within this framework, and provide an overarching discussion of various methods for identifying LCSs. The utility of this more general viewpoint is highlighted through a variety of examples. We also show that although LCSs approximate GLCSs in certain limiting situations under restrictive assumptions on how the velocity field affects the additional quantities of interest, LCSs are not in general sufficient to describe their coherent transport.

Scale dependence of the 200-mb divergence inferred from EOLE data.

NASA Technical Reports Server (NTRS)

Morel, P.; Necco, G.

1973-01-01

The EOLE experiment with 480 constant-volume balloons distributed over the Southern Hemisphere approximately at the 200-mb level, has provided a unique, highly accurate set of tracer trajectories in the general westerly circulation. The trajectories of neighboring balloons are analyzed to estimate the horizontal divergence from the Lagrangian derivative of the area of one cluster. The variance of the divergence estimates results from two almost comparable effects: the true divergence of the horizontal flow and eddy diffusion due to small-scale, two-dimensional turbulence. Taking this into account, the rms divergence is found to be of the order of 0.00001 per sec and decreases logarithmically with cluster size. This scale dependence is shown to be consistent with the quasi-geostrophic turbulence model of the general circulation in midlatitudes.

Vorticity-divergence semi-Lagrangian global atmospheric model SL-AV20: dynamical core

NASA Astrophysics Data System (ADS)

Tolstykh, Mikhail; Shashkin, Vladimir; Fadeev, Rostislav; Goyman, Gordey

2017-05-01

SL-AV (semi-Lagrangian, based on the absolute vorticity equation) is a global hydrostatic atmospheric model. Its latest version, SL-AV20, provides global operational medium-range weather forecast with 20 km resolution over Russia. The lower-resolution configurations of SL-AV20 are being tested for seasonal prediction and climate modeling. The article presents the model dynamical core. Its main features are a vorticity-divergence formulation at the unstaggered grid, high-order finite-difference approximations, semi-Lagrangian semi-implicit discretization and the reduced latitude-longitude grid with variable resolution in latitude. The accuracy of SL-AV20 numerical solutions using a reduced lat-lon grid and the variable resolution in latitude is tested with two idealized test cases. Accuracy and stability of SL-AV20 in the presence of the orography forcing are tested using the mountain-induced Rossby wave test case. The results of all three tests are in good agreement with other published model solutions. It is shown that the use of the reduced grid does not significantly affect the accuracy up to the 25 % reduction in the number of grid points with respect to the regular grid. Variable resolution in latitude allows us to improve the accuracy of a solution in the region of interest.

Higher-Order Extended Lagrangian Born-Oppenheimer Molecular Dynamics for Classical Polarizable Models.

PubMed

Albaugh, Alex; Head-Gordon, Teresa; Niklasson, Anders M N

2018-02-13

Generalized extended Lagrangian Born-Oppenheimer molecular dynamics (XLBOMD) methods provide a framework for fast iteration-free simulations of models that normally require expensive electronic ground state optimizations prior to the force evaluations at every time step. XLBOMD uses dynamically driven auxiliary degrees of freedom that fluctuate about a variationally optimized ground state of an approximate "shadow" potential which approximates the true reference potential. While the requirements for such shadow potentials are well understood, constructing such potentials in practice has previously been ad hoc, and in this work, we present a systematic development of XLBOMD shadow potentials that match the reference potential to any order. We also introduce a framework for combining friction-like dissipation for the auxiliary degrees of freedom with general-order integration, a combination that was not previously possible. These developments are demonstrated with a simple fluctuating charge model and point induced dipole polarization models.

Lagrangian descriptors of driven chemical reaction manifolds.

PubMed

Craven, Galen T; Junginger, Andrej; Hernandez, Rigoberto

2017-08-01

The persistence of a transition state structure in systems driven by time-dependent environments allows the application of modern reaction rate theories to solution-phase and nonequilibrium chemical reactions. However, identifying this structure is problematic in driven systems and has been limited by theories built on series expansion about a saddle point. Recently, it has been shown that to obtain formally exact rates for reactions in thermal environments, a transition state trajectory must be constructed. Here, using optimized Lagrangian descriptors [G. T. Craven and R. Hernandez, Phys. Rev. Lett. 115, 148301 (2015)PRLTAO0031-900710.1103/PhysRevLett.115.148301], we obtain this so-called distinguished trajectory and the associated moving reaction manifolds on model energy surfaces subject to various driving and dissipative conditions. In particular, we demonstrate that this is exact for harmonic barriers in one dimension and this verification gives impetus to the application of Lagrangian descriptor-based methods in diverse classes of chemical reactions. The development of these objects is paramount in the theory of reaction dynamics as the transition state structure and its underlying network of manifolds directly dictate reactivity and selectivity.

Mode decomposition and Lagrangian structures of the flow dynamics in orbitally shaken bioreactors

NASA Astrophysics Data System (ADS)

Weheliye, Weheliye Hashi; Cagney, Neil; Rodriguez, Gregorio; Micheletti, Martina; Ducci, Andrea

2018-03-01

In this study, two mode decomposition techniques were applied and compared to assess the flow dynamics in an orbital shaken bioreactor (OSB) of cylindrical geometry and flat bottom: proper orthogonal decomposition and dynamic mode decomposition. Particle Image Velocimetry (PIV) experiments were carried out for different operating conditions including fluid height, h, and shaker rotational speed, N. A detailed flow analysis is provided for conditions when the fluid and vessel motions are in-phase (Fr = 0.23) and out-of-phase (Fr = 0.47). PIV measurements in vertical and horizontal planes were combined to reconstruct low order models of the full 3D flow and to determine its Finite-Time Lyapunov Exponent (FTLE) within OSBs. The combined results from the mode decomposition and the FTLE fields provide a useful insight into the flow dynamics and Lagrangian coherent structures in OSBs and offer a valuable tool to optimise bioprocess design in terms of mixing and cell suspension.

A Lagrangian Transport Eulerian Reaction Spatial (LATERS) Markov Model for Prediction of Effective Bimolecular Reactive Transport

NASA Astrophysics Data System (ADS)

Sund, Nicole; Porta, Giovanni; Bolster, Diogo; Parashar, Rishi

2017-11-01

Prediction of effective transport for mixing-driven reactive systems at larger scales, requires accurate representation of mixing at small scales, which poses a significant upscaling challenge. Depending on the problem at hand, there can be benefits to using a Lagrangian framework, while in others an Eulerian might have advantages. Here we propose and test a novel hybrid model which attempts to leverage benefits of each. Specifically, our framework provides a Lagrangian closure required for a volume-averaging procedure of the advection diffusion reaction equation. This hybrid model is a LAgrangian Transport Eulerian Reaction Spatial Markov model (LATERS Markov model), which extends previous implementations of the Lagrangian Spatial Markov model and maps concentrations to an Eulerian grid to quantify closure terms required to calculate the volume-averaged reaction terms. The advantage of this approach is that the Spatial Markov model is known to provide accurate predictions of transport, particularly at preasymptotic early times, when assumptions required by traditional volume-averaging closures are least likely to hold; likewise, the Eulerian reaction method is efficient, because it does not require calculation of distances between particles. This manuscript introduces the LATERS Markov model and demonstrates by example its ability to accurately predict bimolecular reactive transport in a simple benchmark 2-D porous medium.

Computing eddy-driven effective diffusivity using Lagrangian particles

DOE PAGES

Wolfram, Phillip J.; Ringler, Todd D.

2017-08-14

A novel method to derive effective diffusivity from Lagrangian particle trajectory data sets is developed and then analyzed relative to particle-derived meridional diffusivity for eddy-driven mixing in an idealized circumpolar current. Quantitative standard dispersion- and transport-based mixing diagnostics are defined, compared and contrasted to motivate the computation and use of effective diffusivity derived from Lagrangian particles. We compute the effective diffusivity by first performing scalar transport on Lagrangian control areas using stored trajectories computed from online Lagrangian In-situ Global High-performance particle Tracking (LIGHT) using the Model for Prediction Across Scales Ocean (MPAS-O). Furthermore, the Lagrangian scalar transport scheme is comparedmore » against an Eulerian scalar transport scheme. Spatially-variable effective diffusivities are computed from resulting time-varying cumulative concentrations that vary as a function of cumulative area. The transport-based Eulerian and Lagrangian effective diffusivity diagnostics are found to be qualitatively consistent with the dispersion-based diffusivity. All diffusivity estimates show a region of increased subsurface diffusivity within the core of an idealized circumpolar current and results are within a factor of two of each other. The Eulerian and Lagrangian effective diffusivities are most similar; smaller and more spatially diffused values are obtained with the dispersion-based diffusivity computed with particle clusters.« less

Computing eddy-driven effective diffusivity using Lagrangian particles

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

Wolfram, Phillip J.; Ringler, Todd D.

A novel method to derive effective diffusivity from Lagrangian particle trajectory data sets is developed and then analyzed relative to particle-derived meridional diffusivity for eddy-driven mixing in an idealized circumpolar current. Quantitative standard dispersion- and transport-based mixing diagnostics are defined, compared and contrasted to motivate the computation and use of effective diffusivity derived from Lagrangian particles. We compute the effective diffusivity by first performing scalar transport on Lagrangian control areas using stored trajectories computed from online Lagrangian In-situ Global High-performance particle Tracking (LIGHT) using the Model for Prediction Across Scales Ocean (MPAS-O). Furthermore, the Lagrangian scalar transport scheme is comparedmore » against an Eulerian scalar transport scheme. Spatially-variable effective diffusivities are computed from resulting time-varying cumulative concentrations that vary as a function of cumulative area. The transport-based Eulerian and Lagrangian effective diffusivity diagnostics are found to be qualitatively consistent with the dispersion-based diffusivity. All diffusivity estimates show a region of increased subsurface diffusivity within the core of an idealized circumpolar current and results are within a factor of two of each other. The Eulerian and Lagrangian effective diffusivities are most similar; smaller and more spatially diffused values are obtained with the dispersion-based diffusivity computed with particle clusters.« less

Lagrangian transport in a class of three-dimensional buoyancy-driven flows

NASA Astrophysics Data System (ADS)

Contreras, Sebastian; Speetjens, Michel; Clercx, Herman

2017-11-01

The study concerns the Lagrangian dynamics of three-dimensional (3D) buoyancy-driven cavity flows under steady and laminar conditions due to a global temperature gradient imposed via an opposite hot and cold sidewall. This serves as archetypal configuration for natural-convection flows in which gravity is perpendicular to the global temperature gradient. Limited insight into the Lagrangian properties of this class of flows motivates this study. The 3D Lagrangian dynamics are investigated in terms of the generic structure of the Lagrangian flow topology that is described in terms of the Grashof number (Gr) and the Prandtl number (Pr). Gr is the principal control parameter for the flow topology: vanishing Gr yields a state of closed streamlines (integrable state); increasing Gr causes the formation of toroidal coherent structures embedded in chaotic streamlines governed by Hamiltonian mechanisms. Fluid inertia prevails for ``smaller'' Gr. A buoyancy-induced bifurcation of the flow topology occurs for ``larger'' Gr and underlies the emergence of ``secondary rolls'' and secondary tori for ``larger'' Pr. Stagnation points and corresponding manifold interactions are key to the dynamics. S.C. acknowledges financial support from Consejo Nacional de Ciencia y Tecnología (CONACYT).

Slope-scale dynamic states of rockfalls

NASA Astrophysics Data System (ADS)

Agliardi, F.; Crosta, G. B.

2009-04-01

Rockfalls are common earth surface phenomena characterised by complex dynamics at the slope scale, depending on local block kinematics and slope geometry. We investigated the nature of this slope-scale dynamics by parametric 3D numerical modelling of rockfalls over synthetic slopes with different inclination, roughness and spatial resolution. Simulations were performed through an original code specifically designed for rockfall modeling, incorporating kinematic and hybrid algorithms with different damping functions available to model local energy loss by impact and pure rolling. Modelling results in terms of average velocity profiles suggest that three dynamic regimes (i.e. decelerating, steady-state and accelerating), previously recognized in the literature through laboratory experiments on granular flows, can set up at the slope scale depending on slope average inclination and roughness. Sharp changes in rock fall kinematics, including motion type and lateral dispersion of trajectories, are associated to the transition among different regimes. Associated threshold conditions, portrayed in "phase diagrams" as slope-roughness critical lines, were analysed depending on block size, impact/rebound angles, velocity and energy, and model spatial resolution. Motion in regime B (i.e. steady state) is governed by a slope-scale "viscous friction" with average velocity linearly related to the sine of slope inclination. This suggest an analogy between rockfall motion in regime B and newtonian flow, whereas in regime C (i.e. accelerating) an analogy with a dilatant flow was observed. Thus, although local behavior of single falling blocks is well described by rigid body dynamics, the slope scale dynamics of rockfalls seem to statistically approach that of granular media. Possible outcomes of these findings include a discussion of the transition from rockfall to granular flow, the evaluation of the reliability of predictive models, and the implementation of criteria for a

Higher-Order Extended Lagrangian Born–Oppenheimer Molecular Dynamics for Classical Polarizable Models

DOE PAGES

Albaugh, Alex; Head-Gordon, Teresa; Niklasson, Anders M. N.

2018-01-09

Generalized extended Lagrangian Born−Oppenheimer molecular dynamics (XLBOMD) methods provide a framework for fast iteration-free simulations of models that normally require expensive electronic ground state optimizations prior to the force evaluations at every time step. XLBOMD uses dynamically driven auxiliary degrees of freedom that fluctuate about a variationally optimized ground state of an approximate “shadow” potential which approximates the true reference potential. While the requirements for such shadow potentials are well understood, constructing such potentials in practice has previously been ad hoc, and in this work, we present a systematic development of XLBOMD shadow potentials that match the reference potential tomore » any order. We also introduce a framework for combining friction-like dissipation for the auxiliary degrees of freedom with general-order integration, a combination that was not previously possible. These developments are demonstrated with a simple fluctuating charge model and point induced dipole polarization models.« less

Higher-Order Extended Lagrangian Born–Oppenheimer Molecular Dynamics for Classical Polarizable Models

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

Albaugh, Alex; Head-Gordon, Teresa; Niklasson, Anders M. N.

Generalized extended Lagrangian Born−Oppenheimer molecular dynamics (XLBOMD) methods provide a framework for fast iteration-free simulations of models that normally require expensive electronic ground state optimizations prior to the force evaluations at every time step. XLBOMD uses dynamically driven auxiliary degrees of freedom that fluctuate about a variationally optimized ground state of an approximate “shadow” potential which approximates the true reference potential. While the requirements for such shadow potentials are well understood, constructing such potentials in practice has previously been ad hoc, and in this work, we present a systematic development of XLBOMD shadow potentials that match the reference potential tomore » any order. We also introduce a framework for combining friction-like dissipation for the auxiliary degrees of freedom with general-order integration, a combination that was not previously possible. These developments are demonstrated with a simple fluctuating charge model and point induced dipole polarization models.« less

A purely Lagrangian method for computing linearly-perturbed flows in spherical geometry

NASA Astrophysics Data System (ADS)

Jaouen, Stéphane

2007-07-01

In many physical applications, one wishes to control the development of multi-dimensional instabilities around a one-dimensional (1D) complex flow. For predicting the growth rates of these perturbations, a general numerical approach is viable which consists in solving simultaneously the one-dimensional equations and their linearized form for three-dimensional perturbations. In Clarisse et al. [J.-M. Clarisse, S. Jaouen, P.-A. Raviart, A Godunov-type method in Lagrangian coordinates for computing linearly-perturbed planar-symmetric flows of gas dynamics, J. Comp. Phys. 198 (2004) 80-105], a class of Godunov-type schemes for planar-symmetric flows of gas dynamics has been proposed. Pursuing this effort, we extend these results to spherically symmetric flows. A new method to derive the Lagrangian perturbation equations, based on the canonical form of systems of conservation laws with zero entropy flux [B. Després, Lagrangian systems of conservation laws. Invariance properties of Lagrangian systems of conservation laws, approximate Riemann solvers and the entropy condition, Numer. Math. 89 (2001) 99-134; B. Després, C. Mazeran, Lagrangian gas dynamics in two dimensions and Lagrangian systems, Arch. Rational Mech. Anal. 178 (2005) 327-372] is also described. It leads to many advantages. First of all, many physical problems we are interested in enter this formalism (gas dynamics, two-temperature plasma equations, ideal magnetohydrodynamics, etc.) whatever is the geometry. Secondly, a class of numerical entropic schemes is available for the basic flow [11]. Last, linearizing and devising numerical schemes for the perturbed flow is straightforward. The numerical capabilities of these methods are illustrated on three test cases of increasing difficulties and we show that - due to its simplicity and its low computational cost - the Linear Perturbations Code (LPC) is a powerful tool to understand and predict the development of hydrodynamic instabilities in the linear regime.

Lagrangian chaos in three- dimensional steady buoyancy-driven flows

NASA Astrophysics Data System (ADS)

Contreras, Sebastian; Speetjens, Michel; Clercx, Herman

2016-11-01

Natural convection plays a key role in fluid dynamics owing to its ubiquitous presence in nature and industry. Buoyancy-driven flows are prototypical systems in the study of thermal instabilities and pattern formation. The differentially heated cavity problem has been widely studied for the investigation of buoyancy-induced oscillatory flow. However, far less attention has been devoted to the three-dimensional Lagrangian transport properties in such flows. This study seeks to address this by investigating Lagrangian transport in the steady flow inside a cubic cavity differentially-heated from the side. The theoretical and numerical analysis expands on previously reported similarities between the current flow and lid-driven flows. The Lagrangian dynamics are controlled by the Péclet number (Pe) and the Prandtl number (Pr). Pe controls the behaviour qualitatively in that growing Pe progressively perturbs the integable state (Pe =0), thus paving the way to chaotic dynamics. Pr plays an entirely quantitative role in that Pr<1 and Pr>1 amplifies and diminishes, respectively, the perturbative effect of non-zero Pe. S.C. acknowledges financial support from Consejo Nacional de Ciencia y Tecnología (CONACYT).

Bayesian Lagrangian Data Assimilation and Drifter Deployment Strategies

NASA Astrophysics Data System (ADS)

Dutt, A.; Lermusiaux, P. F. J.

2017-12-01

Ocean currents transport a variety of natural (e.g. water masses, phytoplankton, zooplankton, sediments, etc.) and man-made materials and other objects (e.g. pollutants, floating debris, search and rescue, etc.). Lagrangian Coherent Structures (LCSs) or the most influential/persistent material lines in a flow, provide a robust approach to characterize such Lagrangian transports and organize classic trajectories. Using the flow-map stochastic advection and a dynamically-orthogonal decomposition, we develop uncertainty prediction schemes for both Eulerian and Lagrangian variables. We then extend our Bayesian Gaussian Mixture Model (GMM)-DO filter to a joint Eulerian-Lagrangian Bayesian data assimilation scheme. The resulting nonlinear filter allows the simultaneous non-Gaussian estimation of Eulerian variables (e.g. velocity, temperature, salinity, etc.) and Lagrangian variables (e.g. drifter/float positions, trajectories, LCSs, etc.). Its results are showcased using a double-gyre flow with a random frequency, a stochastic flow past a cylinder, and realistic ocean examples. We further show how our Bayesian mutual information and adaptive sampling equations provide a rigorous efficient methodology to plan optimal drifter deployment strategies and predict the optimal times, locations, and types of measurements to be collected.

An adaptive reconstruction for Lagrangian, direct-forcing, immersed-boundary methods

NASA Astrophysics Data System (ADS)

Posa, Antonio; Vanella, Marcos; Balaras, Elias

2017-12-01

Lagrangian, direct-forcing, immersed boundary (IB) methods have been receiving increased attention due to their robustness in complex fluid-structure interaction problems. They are very sensitive, however, on the selection of the Lagrangian grid, which is typically used to define a solid or flexible body immersed in a fluid flow. In the present work we propose a cost-efficient solution to this problem without compromising accuracy. Central to our approach is the use of isoparametric mapping to bridge the relative resolution requirements of Lagrangian IB, and Eulerian grids. With this approach, the density of surface Lagrangian markers, which is essential to properly enforce boundary conditions, is adapted dynamically based on the characteristics of the underlying Eulerian grid. The markers are not stored and the Lagrangian data-structure is not modified. The proposed scheme is implemented in the framework of a moving least squares reconstruction formulation, but it can be adapted to any Lagrangian, direct-forcing formulation. The accuracy and robustness of the approach is demonstrated in a variety of test cases of increasing complexity.

On the scale dependence of earthquake stress drop

NASA Astrophysics Data System (ADS)

Cocco, Massimo; Tinti, Elisa; Cirella, Antonella

2016-10-01

We discuss the debated issue of scale dependence in earthquake source mechanics with the goal of providing supporting evidence to foster the adoption of a coherent interpretative framework. We examine the heterogeneous distribution of source and constitutive parameters during individual ruptures and their scaling with earthquake size. We discuss evidence that slip, slip-weakening distance and breakdown work scale with seismic moment and are interpreted as scale dependent parameters. We integrate our estimates of earthquake stress drop, computed through a pseudo-dynamic approach, with many others available in the literature for both point sources and finite fault models. We obtain a picture of the earthquake stress drop scaling with seismic moment over an exceptional broad range of earthquake sizes (-8 < MW < 9). Our results confirm that stress drop values are scattered over three order of magnitude and emphasize the lack of corroborating evidence that stress drop scales with seismic moment. We discuss these results in terms of scale invariance of stress drop with source dimension to analyse the interpretation of this outcome in terms of self-similarity. Geophysicists are presently unable to provide physical explanations of dynamic self-similarity relying on deterministic descriptions of micro-scale processes. We conclude that the interpretation of the self-similar behaviour of stress drop scaling is strongly model dependent. We emphasize that it relies on a geometric description of source heterogeneity through the statistical properties of initial stress or fault-surface topography, in which only the latter is constrained by observations.

An updated Lagrangian particle hydrodynamics (ULPH) for Newtonian fluids

NASA Astrophysics Data System (ADS)

Tu, Qingsong; Li, Shaofan

2017-11-01

In this work, we have developed an updated Lagrangian particle hydrodynamics (ULPH) for Newtonian fluid. Unlike the smoothed particle hydrodynamics, the non-local particle hydrodynamics formulation proposed here is consistent and convergence. Unlike the state-based peridynamics, the discrete particle dynamics proposed here has no internal material bond between particles, and it is not formulated with respect to initial or a fixed referential configuration. In specific, we have shown that (1) the non-local update Lagrangian particle hydrodynamics formulation converges to the conventional local fluid mechanics formulation; (2) the non-local updated Lagrangian particle hydrodynamics can capture arbitrary flow discontinuities without any changes in the formulation, and (3) the proposed non-local particle hydrodynamics is computationally efficient and robust.

Quantization of Non-Lagrangian Systems

NASA Astrophysics Data System (ADS)

Kochan, Denis

A novel method for quantization of non-Lagrangian (open) systems is proposed. It is argued that the essential object, which provides both classical and quantum evolution, is a certain canonical two-form defined in extended velocity space. In this setting classical dynamics is recovered from the stringy-type variational principle, which employs umbilical surfaces instead of histories of the system. Quantization is then accomplished in accordance with the introduced variational principle. The path integral for the transition probability amplitude (propagator) is rearranged to a surface functional integral. In the standard case of closed (Lagrangian) systems the presented method reduces to the standard Feynman's approach. The inverse problem of the calculus of variation, the problem of quantization ambiguity and the quantum mechanics in the presence of friction are analyzed in detail.

Analytical solution of the problem of a shock wave in the collapsing gas in Lagrangian coordinates

NASA Astrophysics Data System (ADS)

Kuropatenko, V. F.; Shestakovskaya, E. S.

2016-10-01

It is proposed the exact solution of the problem of a convergent shock wave and gas dynamic compression in a spherical vessel with an impermeable wall in Lagrangian coordinates. At the initial time the speed of cold ideal gas is equal to zero, and a negative velocity is set on boundary of the sphere. When t > t0 the shock wave spreads from this point into the gas. The boundary of the sphere will move under the certain law correlated with the motion of the shock wave. The trajectories of the gas particles in Lagrangian coordinates are straight lines. The equations determining the structure of the gas flow between the shock front and gas border have been found as a function of time and Lagrangian coordinate. The dependence of the entropy on the velocity of the shock wave has been found too. For Lagrangian coordinates the problem is first solved. It is fundamentally different from previously known formulations of the problem of the self-convergence of the self-similar shock wave to the center of symmetry and its reflection from the center, which was built up for the infinite area in Euler coordinates.

Flow-Induced New Channels of Energy Exchange in Multi-Scale Plasma Dynamics - Revisiting Perturbative Hybrid Kinetic-MHD Theory.

PubMed

Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go

2016-05-10

It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle's Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas.

Some Lagrangians for systems without a Lagrangian

NASA Astrophysics Data System (ADS)

Nucci, M. C.; Leach, P. G. L.

2011-03-01

We demonstrate how to construct many different Lagrangians for two famous examples that were deemed by Douglas (1941 Trans. Am. Math. Soc. 50 71-128) not to have a Lagrangian. Following Bateman's dictum (1931 Phys. Rev. 38 815-9), we determine different sets of equations that are compatible with those of Douglas and derivable from a variational principle.

Lagrangian statistics in weakly forced two-dimensional turbulence.

PubMed

Rivera, Michael K; Ecke, Robert E

2016-01-01

Measurements of Lagrangian single-point and multiple-point statistics in a quasi-two-dimensional stratified layer system are reported. The system consists of a layer of salt water over an immiscible layer of Fluorinert and is forced electromagnetically so that mean-squared vorticity is injected at a well-defined spatial scale ri. Simultaneous cascades develop in which enstrophy flows predominately to small scales whereas energy cascades, on average, to larger scales. Lagrangian correlations and one- and two-point displacements are measured for random initial conditions and for initial positions within topological centers and saddles. Some of the behavior of these quantities can be understood in terms of the trapping characteristics of long-lived centers, the slow motion near strong saddles, and the rapid fluctuations outside of either centers or saddles. We also present statistics of Lagrangian velocity fluctuations using energy spectra in frequency space and structure functions in real space. We compare with complementary Eulerian velocity statistics. We find that simultaneous inverse energy and enstrophy ranges present in spectra are not directly echoed in real-space moments of velocity difference. Nevertheless, the spectral ranges line up well with features of moment ratios, indicating that although the moments are not exhibiting unambiguous scaling, the behavior of the probability distribution functions is changing over short ranges of length scales. Implications for understanding weakly forced 2D turbulence with simultaneous inverse and direct cascades are discussed.

Lagrangian statistics in weakly forced two-dimensional turbulence

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

Rivera, Michael K.; Ecke, Robert E.

Measurements of Lagrangian single-point and multiple-point statistics in a quasi-two-dimensional stratified layer system are reported. The system consists of a layer of salt water over an immiscible layer of Fluorinert and is forced electromagnetically so that mean-squared vorticity is injected at a well-defined spatial scale r i. Simultaneous cascades develop in which enstrophy flows predominately to small scales whereas energy cascades, on average, to larger scales. Lagrangian correlations and one- and two-point displacements are measured for random initial conditions and for initial positions within topological centers and saddles. Some of the behavior of these quantities can be understood in termsmore » of the trapping characteristics of long-lived centers, the slow motion near strong saddles, and the rapid fluctuations outside of either centers or saddles. We also present statistics of Lagrangian velocity fluctuations using energy spectra in frequency space and structure functions in real space. We compare with complementary Eulerian velocity statistics. We find that simultaneous inverse energy and enstrophy ranges present in spectra are not directly echoed in real-space moments of velocity difference. Nevertheless, the spectral ranges line up well with features of moment ratios, indicating that although the moments are not exhibiting unambiguous scaling, the behavior of the probability distribution functions is changing over short ranges of length scales. Furthermore, implications for understanding weakly forced 2D turbulence with simultaneous inverse and direct cascades are discussed.« less

Lagrangian statistics in weakly forced two-dimensional turbulence

DOE PAGES

Rivera, Michael K.; Ecke, Robert E.

2016-01-14

Measurements of Lagrangian single-point and multiple-point statistics in a quasi-two-dimensional stratified layer system are reported. The system consists of a layer of salt water over an immiscible layer of Fluorinert and is forced electromagnetically so that mean-squared vorticity is injected at a well-defined spatial scale r i. Simultaneous cascades develop in which enstrophy flows predominately to small scales whereas energy cascades, on average, to larger scales. Lagrangian correlations and one- and two-point displacements are measured for random initial conditions and for initial positions within topological centers and saddles. Some of the behavior of these quantities can be understood in termsmore » of the trapping characteristics of long-lived centers, the slow motion near strong saddles, and the rapid fluctuations outside of either centers or saddles. We also present statistics of Lagrangian velocity fluctuations using energy spectra in frequency space and structure functions in real space. We compare with complementary Eulerian velocity statistics. We find that simultaneous inverse energy and enstrophy ranges present in spectra are not directly echoed in real-space moments of velocity difference. Nevertheless, the spectral ranges line up well with features of moment ratios, indicating that although the moments are not exhibiting unambiguous scaling, the behavior of the probability distribution functions is changing over short ranges of length scales. Furthermore, implications for understanding weakly forced 2D turbulence with simultaneous inverse and direct cascades are discussed.« less

Lagrangian methods of cosmic web classification

NASA Astrophysics Data System (ADS)

Fisher, J. D.; Faltenbacher, A.; Johnson, M. S. T.

2016-05-01

The cosmic web defines the large-scale distribution of matter we see in the Universe today. Classifying the cosmic web into voids, sheets, filaments and nodes allows one to explore structure formation and the role environmental factors have on halo and galaxy properties. While existing studies of cosmic web classification concentrate on grid-based methods, this work explores a Lagrangian approach where the V-web algorithm proposed by Hoffman et al. is implemented with techniques borrowed from smoothed particle hydrodynamics. The Lagrangian approach allows one to classify individual objects (e.g. particles or haloes) based on properties of their nearest neighbours in an adaptive manner. It can be applied directly to a halo sample which dramatically reduces computational cost and potentially allows an application of this classification scheme to observed galaxy samples. Finally, the Lagrangian nature admits a straightforward inclusion of the Hubble flow negating the necessity of a visually defined threshold value which is commonly employed by grid-based classification methods.

A Lagrangian cylindrical coordinate system for characterizing dynamic surface geometry of tubular anatomic structures.

PubMed

Lundh, Torbjörn; Suh, Ga-Young; DiGiacomo, Phillip; Cheng, Christopher

2018-03-03

Vascular morphology characterization is useful for disease diagnosis, risk stratification, treatment planning, and prediction of treatment durability. To quantify the dynamic surface geometry of tubular-shaped anatomic structures, we propose a simple, rigorous Lagrangian cylindrical coordinate system to monitor well-defined surface points. Specifically, the proposed system enables quantification of surface curvature and cross-sectional eccentricity. Using idealized software phantom examples, we validate the method's ability to accurately quantify longitudinal and circumferential surface curvature, as well as eccentricity and orientation of eccentricity. We then apply the method to several medical imaging data sets of human vascular structures to exemplify the utility of this coordinate system for analyzing morphology and dynamic geometric changes in blood vessels throughout the body. Graphical abstract Pointwise longitudinal curvature of a thoracic aortic endograft surface for systole and diastole, with their absolute difference.

Reaction Analysis of Shocked Nitromethane using Extended Lagrangian Born-Oppenheimer Molecular Dynamics

NASA Astrophysics Data System (ADS)

Perriot, Romain; Kober, Ed; Mniszewski, Sue; Martinez, Enrique; Niklasson, Anders; Yang, Ping; McGrane, Shawn; Cawkwell, Marc

2017-06-01

Characterizing the complex, rapid reactions of energetic materials under conditions of high temperatures and pressures presents strong experimental and computational challenges. The recently developed extended Lagrangian Born-Oppenheimer molecular dynamics formalism enables the long-term conservation of the total energy in microcanonical trajectories, and using a density functional tight binding formulation provides good chemical accuracy. We use this combined approach to study the evolution of temperature, pressure, and chemical species in shock-compressed liquid nitromethane over hundreds of picoseconds. The chemical species seen in nitromethane under shock compression are compared with those seen under static high temperature conditions. A reduced-order representation of the complex sequence of chemical reactions that characterize this system has been developed from the molecular dynamics simulations by focusing on classes of chemical reactions rather than specific molecular species. Time-resolved infra-red vibrational spectra were also computed from the molecular trajectories and compared to the chemical analysis. These spectra provide a time history of the species present in the system that can be compared directly with recent experiments at LANL.

Estimation of local scale dispersion from local breakthrough curves during a tracer test in a heterogeneous aquifer: the Lagrangian approach.

PubMed

Vanderborght, Jan; Vereecken, Harry

2002-01-01

The local scale dispersion tensor, Dd, is a controlling parameter for the dilution of concentrations in a solute plume that is displaced by groundwater flow in a heterogeneous aquifer. In this paper, we estimate the local scale dispersion from time series or breakthrough curves, BTCs, of Br concentrations that were measured at several points in a fluvial aquifer during a natural gradient tracer test at Krauthausen. Locally measured BTCs were characterized by equivalent convection dispersion parameters: equivalent velocity, v(eq)(x) and expected equivalent dispersivity, [lambda(eq)(x)]. A Lagrangian framework was used to approximately predict these equivalent parameters in terms of the spatial covariance of log(e) transformed conductivity and the local scale dispersion coefficient. The approximate Lagrangian theory illustrates that [lambda(eq)(x)] increases with increasing travel distance and is much larger than the local scale dispersivity, lambda(d). A sensitivity analysis indicates that [lambda(eq)(x)] is predominantly determined by the transverse component of the local scale dispersion and by the correlation scale of the hydraulic conductivity in the transverse to flow direction whereas it is relatively insensitive to the longitudinal component of the local scale dispersion. By comparing predicted [lambda(eq)(x)] for a range of Dd values with [lambda(eq)(x)] obtained from locally measured BTCs, the transverse component of Dd, DdT, was estimated. The estimated transverse local scale dispersivity, lambda(dT) = DdT/U1 (U1 = mean advection velocity) is in the order of 10(1)-10(2) mm, which is relatively large but realistic for the fluvial gravel sediments at Krauthausen.

Scale-dependent variation in forest structures in naturally dynamic boreal forest landscapes

NASA Astrophysics Data System (ADS)

Kulha, Niko; Pasanen, Leena; De Grandpré, Louis; Kuuluvainen, Timo; Aakala, Tuomas

2017-04-01

Natural forest structures vary at multiple spatial scales. This variation reflects the occurrence of driving factors, such as disturbances and variation in soil or topography. To explore and understand the linkages of forest structural characteristics and factors driving their variation, we need to recognize how the structural characteristics vary in relation to spatial scale. This can be achieved by identifying scale-dependent features in forest structure within unmanaged forest landscapes. By identifying these features and examining their relationship with potential driving factors, we can better understand the dynamics of forest structural development. Here, we examine the spatial variation in forest structures at multiple spatial scales, utilizing data from old-growth boreal forests in two regions with contrasting disturbance regimes: northern Finland and north-eastern Québec, Canada ( 67° 45'N, 29° 36'E, 49° 39'N, 67° 55'W, respectively). The three landscapes (4 km2 each) in Finland are dominated by Pinus sylvestris and Picea abies, whereas the two landscapes in Québec are dominated by Abies balsamea and Picea mariana. Québec's forests are a subject to cyclic outbreaks of the eastern spruce budworm, causing extensive mortality especially in A. balsamea-dominated stands. In the Finnish landscapes, gap- to patch-scale disturbances due to tree senescence, fungi and wind, as well as infrequent surface fires in areas dominated by P. sylvestris, prevail. Owing to the differences in the species compositions and the disturbance regimes, we expect differing scales of variation between the landscapes. To quantify patterns of variation, we visually interpret stereopairs of recent aerial photographs. From the photographs, we collect information on forest canopy coverage, species composition and dead wood. For the interpretation, each 4 km2 plot is divided into 0.1ha square cells (4096 per plot). Interpretations are validated against field observations and compiled

Lagrangian or Eulerian; real or Fourier? Not all approaches to large-scale structure are created equal

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

Tassev, Svetlin, E-mail: tassev@astro.princeton.edu

We present a pedagogical systematic investigation of the accuracy of Eulerian and Lagrangian perturbation theories of large-scale structure. We show that significant differences exist between them especially when trying to model the Baryon Acoustic Oscillations (BAO). We find that the best available model of the BAO in real space is the Zel'dovich Approximation (ZA), giving an accuracy of ∼<3% at redshift of z = 0 in modelling the matter 2-pt function around the acoustic peak. All corrections to the ZA around the BAO scale are perfectly perturbative in real space. Any attempt to achieve better precision requires calibrating the theorymore » to simulations because of the need to renormalize those corrections. In contrast, theories which do not fully preserve the ZA as their solution, receive O(1) corrections around the acoustic peak in real space at z = 0, and are thus of suspicious convergence at low redshift around the BAO. As an example, we find that a similar accuracy of 3% for the acoustic peak is achieved by Eulerian Standard Perturbation Theory (SPT) at linear order only at z ≈ 4. Thus even when SPT is perturbative, one needs to include loop corrections for z∼<4 in real space. In Fourier space, all models perform similarly, and are controlled by the overdensity amplitude, thus recovering standard results. However, that comes at a price. Real space cleanly separates the BAO signal from non-linear dynamics. In contrast, Fourier space mixes signal from short mildly non-linear scales with the linear signal from the BAO to the level that non-linear contributions from short scales dominate. Therefore, one has little hope in constructing a systematic theory for the BAO in Fourier space.« less

The Lagrangian-Hamiltonian formalism for higher order field theories

NASA Astrophysics Data System (ADS)

Vitagliano, Luca

2010-06-01

We generalize the Lagrangian-Hamiltonian formalism of Skinner and Rusk to higher order field theories on fiber bundles. As a byproduct we solve the long standing problem of defining, in a coordinate free manner, a Hamiltonian formalism for higher order Lagrangian field theories. Namely, our formalism does only depend on the action functional and, therefore, unlike previously proposed ones, is free from any relevant ambiguity.

Flow-Induced New Channels of Energy Exchange in Multi-Scale Plasma Dynamics – Revisiting Perturbative Hybrid Kinetic-MHD Theory

PubMed Central

Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go

2016-01-01

It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle’s Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas. PMID:27160346

The S-Lagrangian and a theory of homeostasis in living systems

NASA Astrophysics Data System (ADS)

Sandler, U.; Tsitolovsky, L.

2017-04-01

A major paradox of living things is their ability to actively counteract degradation in a continuously changing environment or being injured through homeostatic protection. In this study, we propose a dynamic theory of homeostasis based on a generalized Lagrangian approach (S-Lagrangian), which can be equally applied to physical and nonphysical systems. Following discoverer of homeostasis Cannon (1935), we assume that homeostasis results from tendency of the organisms to decrease of the stress and avoid of death. We show that the universality of homeostasis is a consequence of analytical properties of the S-Lagrangian, while peculiarities of the biochemical and physiological mechanisms of homeostasis determine phenomenological parameters of the S-Lagrangian. Additionally, we reveal that plausible assumptions about S-Lagrangian features lead to good agreement between theoretical descriptions and observed homeostatic behavior. Here, we have focused on homeostasis of living systems, however, the proposed theory is also capable of being extended to social systems.

Micron-scale coherence in interphase chromatin dynamics

PubMed Central

Zidovska, Alexandra; Weitz, David A.; Mitchison, Timothy J.

2013-01-01

Chromatin structure and dynamics control all aspects of DNA biology yet are poorly understood, especially at large length scales. We developed an approach, displacement correlation spectroscopy based on time-resolved image correlation analysis, to map chromatin dynamics simultaneously across the whole nucleus in cultured human cells. This method revealed that chromatin movement was coherent across large regions (4–5 µm) for several seconds. Regions of coherent motion extended beyond the boundaries of single-chromosome territories, suggesting elastic coupling of motion over length scales much larger than those of genes. These large-scale, coupled motions were ATP dependent and unidirectional for several seconds, perhaps accounting for ATP-dependent directed movement of single genes. Perturbation of major nuclear ATPases such as DNA polymerase, RNA polymerase II, and topoisomerase II eliminated micron-scale coherence, while causing rapid, local movement to increase; i.e., local motions accelerated but became uncoupled from their neighbors. We observe similar trends in chromatin dynamics upon inducing a direct DNA damage; thus we hypothesize that this may be due to DNA damage responses that physically relax chromatin and block long-distance communication of forces. PMID:24019504

Stochastic dynamics of intermittent pore-scale particle motion in three-dimensional porous media

NASA Astrophysics Data System (ADS)

Morales, V. L.; Dentz, M.; Willmann, M.; Holzner, M.

2017-12-01

A proper understanding of velocity dynamics is key for making transport predictions through porous media at any scale. We study the velocity evolution process from particle dynamics at the pore-scale with particular interest in preasymptotic (non-Fickian) behavior. Experimental measurements from 3-dimensional particle tracking velocimetry are used to obtain Lagrangian velocity statistics for three different types of media heterogeneity. Particle velocities are found to be intermittent in nature, log-normally distributed and non-stationary. We show that these velocity characteristics can be captured with a correlated Ornstein-Uhlenbeck process for a random walk in space that is parameterized from velocity distributions. Our simple model is rigorously tested for accurate reproduction of velocity variability in magnitude and frequency. We further show that it captures exceptionally well the preasymptotic mean and mean squared displacement in the ballistic and superdiffusive regimes, and can be extended to determine if and when Fickian behavior will be reached. Our approach reproduces both preasymptotic and asymptotic transport behavior with a single transport model, demonstrating correct description of the fundamental controls of anomalous transport.

Gravitational Field as a Pressure Force from Logarithmic Lagrangians and Non-Standard Hamiltonians: The Case of Stellar Halo of Milky Way

NASA Astrophysics Data System (ADS)

El-Nabulsi, Rami Ahmad

2018-03-01

Recently, the notion of non-standard Lagrangians was discussed widely in literature in an attempt to explore the inverse variational problem of nonlinear differential equations. Different forms of non-standard Lagrangians were introduced in literature and have revealed nice mathematical and physical properties. One interesting form related to the inverse variational problem is the logarithmic Lagrangian, which has a number of motivating features related to the Liénard-type and Emden nonlinear differential equations. Such types of Lagrangians lead to nonlinear dynamics based on non-standard Hamiltonians. In this communication, we show that some new dynamical properties are obtained in stellar dynamics if standard Lagrangians are replaced by Logarithmic Lagrangians and their corresponding non-standard Hamiltonians. One interesting consequence concerns the emergence of an extra pressure term, which is related to the gravitational field suggesting that gravitation may act as a pressure in a strong gravitational field. The case of the stellar halo of the Milky Way is considered.

Lagrangian statistics of mesoscale turbulence in a natural environment: The Agulhas return current.

PubMed

Carbone, Francesco; Gencarelli, Christian N; Hedgecock, Ian M

2016-12-01

The properties of mesoscale geophysical turbulence in an oceanic environment have been investigated through the Lagrangian statistics of sea surface temperature measured by a drifting buoy within the Agulhas return current, where strong temperature mixing produces locally sharp temperature gradients. By disentangling the large-scale forcing which affects the small-scale statistics, we found that the statistical properties of intermittency are identical to those obtained from the multifractal prediction in the Lagrangian frame for the velocity trajectory. The results suggest a possible universality of turbulence scaling.

Dissipative inertial transport patterns near coherent Lagrangian eddies in the ocean.

PubMed

Beron-Vera, Francisco J; Olascoaga, María J; Haller, George; Farazmand, Mohammad; Triñanes, Joaquín; Wang, Yan

2015-08-01

Recent developments in dynamical systems theory have revealed long-lived and coherent Lagrangian (i.e., material) eddies in incompressible, satellite-derived surface ocean velocity fields. Paradoxically, observed drifting buoys and floating matter tend to create dissipative-looking patterns near oceanic eddies, which appear to be inconsistent with the conservative fluid particle patterns created by coherent Lagrangian eddies. Here, we show that inclusion of inertial effects (i.e., those produced by the buoyancy and size finiteness of an object) in a rotating two-dimensional incompressible flow context resolves this paradox. Specifically, we obtain that anticyclonic coherent Lagrangian eddies attract (repel) negatively (positively) buoyant finite-size particles, while cyclonic coherent Lagrangian eddies attract (repel) positively (negatively) buoyant finite-size particles. We show how these results explain dissipative-looking satellite-tracked surface drifter and subsurface float trajectories, as well as satellite-derived Sargassum distributions.

Lagrangian description of warm plasmas

NASA Technical Reports Server (NTRS)

Kim, H.

1970-01-01

Efforts are described to extend the averaged Lagrangian method of describing small signal wave propagation and nonlinear wave interaction, developed by earlier workers for cold plasmas, to the more general conditions of warm collisionless plasmas, and to demonstrate particularly the effectiveness of the method in analyzing wave-wave interactions. The theory is developed for both the microscopic description and the hydrodynamic approximation to plasma behavior. First, a microscopic Lagrangian is formulated rigorously, and expanded in terms of perturbations about equilibrium. Two methods are then described for deriving a hydrodynamic Lagrangian. In the first of these, the Lagrangian is obtained by velocity integration of the exact microscopic Lagrangian. In the second, the expanded hydrodynamic Lagrangian is obtained directly from the expanded microscopic Lagrangian. As applications of the microscopic Lagrangian, the small-signal dispersion relations and the coupled mode equations are derived for all possible waves in a warm infinite, weakly inhomogeneous magnetoplasma, and their interactions are examined.

Lagrangian single-particle turbulent statistics through the Hilbert-Huang transform.

PubMed

Huang, Yongxiang; Biferale, Luca; Calzavarini, Enrico; Sun, Chao; Toschi, Federico

2013-04-01

The Hilbert-Huang transform is applied to analyze single-particle Lagrangian velocity data from numerical simulations of hydrodynamic turbulence. The velocity trajectory is described in terms of a set of intrinsic mode functions C(i)(t) and of their instantaneous frequency ω(i)(t). On the basis of this decomposition we define the ω-conditioned statistical moments of the C(i) modes, named q-order Hilbert spectra (HS). We show that such quantities have enhanced scaling properties as compared to traditional Fourier transform- or correlation-based (structure functions) statistical indicators, thus providing better insights into the turbulent energy transfer process. We present clear empirical evidence that the energylike quantity, i.e., the second-order HS, displays a linear scaling in time in the inertial range, as expected from a dimensional analysis. We also measure high-order moment scaling exponents in a direct way, without resorting to the extended self-similarity procedure. This leads to an estimate of the Lagrangian structure function exponents which are consistent with the multifractal prediction in the Lagrangian frame as proposed by Biferale et al. [Phys. Rev. Lett. 93, 064502 (2004)].

Numerical Simulations of Homogeneous Turbulence Using Lagrangian-Averaged Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Mohseni, Kamran; Shkoller, Steve; Kosovic, Branko; Marsden, Jerrold E.; Carati, Daniele; Wray, Alan; Rogallo, Robert

2000-01-01

The Lagrangian-averaged Navier-Stokes (LANS) equations are numerically evaluated as a turbulence closure. They are derived from a novel Lagrangian averaging procedure on the space of all volume-preserving maps and can be viewed as a numerical algorithm which removes the energy content from the small scales (smaller than some a priori fixed spatial scale alpha) using a dispersive rather than dissipative mechanism, thus maintaining the crucial features of the large scale flow. We examine the modeling capabilities of the LANS equations for decaying homogeneous turbulence, ascertain their ability to track the energy spectrum of fully resolved direct numerical simulations (DNS), compare the relative energy decay rates, and compare LANS with well-accepted large eddy simulation (LES) models.

On Lagrangian residual currents with applications in south San Francisco Bay, California

USGS Publications Warehouse

Cheng, Ralph T.; Casulli, Vincenzo

1982-01-01

The Lagrangian residual circulation has often been introduced as the sum of the Eulerian residual circulation and the Stokes' drift. Unfortunately, this definition of the Lagrangian residual circulation is conceptually incorrect because both the Eulerian residual circulation and the Stokes' drift are Eulerian variables. In this paper a classification of various residual variables are reviewed and properly defined. The Lagrangian residual circulation is then studied by means of a two-stage formulation of a computer model. The tidal circulation is first computed in a conventional Eulerian way, and then the Lagrangian residual circulation is determined by a method patterned after the method of markers and cells. To demonstrate properties of the Lagrangian residual circulation, application of this approach in South San Francisco Bay, California, is considered. With the aid of the model results, properties of the Eulerian and Lagrangian residual circulation are examined. It can be concluded that estimation of the Lagrangian residual circulation from Eulerian data may lead to unacceptable error, particularly in a tidal estuary where the tidal excursion is of the same order of magnitude as the length scale of the basin. A direction calculation of the Lagrangian residual circulation must be made and has been shown to be feasible.

Double dynamic scaling in human communication dynamics

NASA Astrophysics Data System (ADS)

Wang, Shengfeng; Feng, Xin; Wu, Ye; Xiao, Jinhua

2017-05-01

In the last decades, human behavior has been deeply understanding owing to the huge quantities data of human behavior available for study. The main finding in human dynamics shows that temporal processes consist of high-activity bursty intervals alternating with long low-activity periods. A model, assuming the initiator of bursty follow a Poisson process, is widely used in the modeling of human behavior. Here, we provide further evidence for the hypothesis that different bursty intervals are independent. Furthermore, we introduce a special threshold to quantitatively distinguish the time scales of complex dynamics based on the hypothesis. Our results suggest that human communication behavior is a composite process of double dynamics with midrange memory length. The method for calculating memory length would enhance the performance of many sequence-dependent systems, such as server operation and topic identification.

The Trapping Index: How to integrate the Eulerian and the Lagrangian approach for the computation of the transport time scales of semi-enclosed basins.

PubMed

Cucco, Andrea; Umgiesser, Georg

2015-09-15

In this work, we investigated if the Eulerian and the Lagrangian approaches for the computation of the Transport Time Scales (TTS) of semi-enclosed water bodies can be used univocally to define the spatial variability of basin flushing features. The Eulerian and Lagrangian TTS were computed for both simplified test cases and a realistic domain: the Venice Lagoon. The results confirmed the two approaches cannot be adopted univocally and that the spatial variability of the water renewal capacity can be investigated only through the computation of both the TTS. A specific analysis, based on the computation of a so-called Trapping Index, was then suggested to integrate the information provided by the two different approaches. The obtained results proved the Trapping Index to be useful to avoid any misleading interpretation due to the evaluation of the basin renewal features just from an Eulerian only or from a Lagrangian only perspective. Copyright © 2015 Elsevier Ltd. All rights reserved.

About non standard Lagrangians in cosmology

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

Dimitrijevic, Dragoljub D.; Milosevic, Milan

A review of non standard Lagrangians present in modern cosmological models will be considered. Well known example of non standard Lagrangian is Dirac-Born-Infeld (DBI) type Lagrangian for tachyon field. Another type of non standard Lagrangian under consideration contains scalar field which describes open p-adic string tachyon and is called p-adic string theory Lagrangian. We will investigate homogenous cases of both DBI and p-adic fields and obtain Lagrangians of the standard type which have the same equations of motions as aforementioned non standard one.

Multiscale functions, scale dynamics, and applications to partial differential equations

NASA Astrophysics Data System (ADS)

Cresson, Jacky; Pierret, Frédéric

2016-05-01

Modeling phenomena from experimental data always begins with a choice of hypothesis on the observed dynamics such as determinism, randomness, and differentiability. Depending on these choices, different behaviors can be observed. The natural question associated to the modeling problem is the following: "With a finite set of data concerning a phenomenon, can we recover its underlying nature? From this problem, we introduce in this paper the definition of multi-scale functions, scale calculus, and scale dynamics based on the time scale calculus [see Bohner, M. and Peterson, A., Dynamic Equations on Time Scales: An Introduction with Applications (Springer Science & Business Media, 2001)] which is used to introduce the notion of scale equations. These definitions will be illustrated on the multi-scale Okamoto's functions. Scale equations are analysed using scale regimes and the notion of asymptotic model for a scale equation under a particular scale regime. The introduced formalism explains why a single scale equation can produce distinct continuous models even if the equation is scale invariant. Typical examples of such equations are given by the scale Euler-Lagrange equation. We illustrate our results using the scale Newton's equation which gives rise to a non-linear diffusion equation or a non-linear Schrödinger equation as asymptotic continuous models depending on the particular fractional scale regime which is considered.

Insights into the three-dimensional Lagrangian geometry of the Antarctic polar vortex

NASA Astrophysics Data System (ADS)

Curbelo, Jezabel; José García-Garrido, Víctor; Mechoso, Carlos Roberto; Mancho, Ana Maria; Wiggins, Stephen; Niang, Coumba

2017-07-01

In this paper we study the three-dimensional (3-D) Lagrangian structures in the stratospheric polar vortex (SPV) above Antarctica. We analyse and visualize these structures using Lagrangian descriptor function M. The procedure for calculation with reanalysis data is explained. Benchmarks are computed and analysed that allow us to compare 2-D and 3-D aspects of Lagrangian transport. Dynamical systems concepts appropriate to 3-D, such as normally hyperbolic invariant curves, are discussed and applied. In order to illustrate our approach we select an interval of time in which the SPV is relatively undisturbed (August 1979) and an interval of rapid SPV changes (October 1979). Our results provide new insights into the Lagrangian structure of the vertical extension of the stratospheric polar vortex and its evolution. Our results also show complex Lagrangian patterns indicative of strong mixing processes in the upper troposphere and lower stratosphere. Finally, during the transition to summer in the late spring, we illustrate the vertical structure of two counterrotating vortices, one the polar and the other an emerging one, and the invariant separatrix that divides them.

A Constructive Approach to Regularity of Lagrangian Trajectories for Incompressible Euler Flow in a Bounded Domain

NASA Astrophysics Data System (ADS)

Besse, Nicolas; Frisch, Uriel

2017-04-01

The 3D incompressible Euler equations are an important research topic in the mathematical study of fluid dynamics. Not only is the global regularity for smooth initial data an open issue, but the behaviour may also depend on the presence or absence of boundaries. For a good understanding, it is crucial to carry out, besides mathematical studies, high-accuracy and well-resolved numerical exploration. Such studies can be very demanding in computational resources, but recently it has been shown that very substantial gains can be achieved first, by using Cauchy's Lagrangian formulation of the Euler equations and second, by taking advantage of analyticity results of the Lagrangian trajectories for flows whose initial vorticity is Hölder-continuous. The latter has been known for about 20 years (Serfati in J Math Pures Appl 74:95-104, 1995), but the combination of the two, which makes use of recursion relations among time-Taylor coefficients to obtain constructively the time-Taylor series of the Lagrangian map, has been achieved only recently (Frisch and Zheligovsky in Commun Math Phys 326:499-505, 2014; Podvigina et al. in J Comput Phys 306:320-342, 2016 and references therein). Here we extend this methodology to incompressible Euler flow in an impermeable bounded domain whose boundary may be either analytic or have a regularity between indefinite differentiability and analyticity. Non-constructive regularity results for these cases have already been obtained by Glass et al. (Ann Sci Éc Norm Sup 45:1-51, 2012). Using the invariance of the boundary under the Lagrangian flow, we establish novel recursion relations that include contributions from the boundary. This leads to a constructive proof of time-analyticity of the Lagrangian trajectories with analytic boundaries, which can then be used subsequently for the design of a very high-order Cauchy-Lagrangian method.

Forms of null Lagrangians in field theories of continuum mechanics

NASA Astrophysics Data System (ADS)

Kovalev, V. A.; Radaev, Yu. N.

2012-02-01

The divergence representation of a null Lagrangian that is regular in a star-shaped domain is used to obtain its general expression containing field gradients of order ≤ 1 in the case of spacetime of arbitrary dimension. It is shown that for a static three-component field in the three-dimensional space, a null Lagrangian can contain up to 15 independent elements in total. The general form of a null Lagrangian in the four-dimensional Minkowski spacetime is obtained (the number of physical field variables is assumed arbitrary). A complete theory of the null Lagrangian for the n-dimensional spacetime manifold (including the four-dimensional Minkowski spacetime as a special case) is given. Null Lagrangians are then used as a basis for solving an important variational problem of an integrating factor. This problem involves searching for factors that depend on the spacetime variables, field variables, and their gradients and, for a given system of partial differential equations, ensure the equality between the scalar product of a vector multiplier by the system vector and some divergence expression for arbitrary field variables and, hence, allow one to formulate a divergence conservation law on solutions to the system.

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.

Scale dependency of fracture energy and estimates thereof via dynamic rupture solutions with strong thermal weakening

NASA Astrophysics Data System (ADS)

Viesca, R. C.; Garagash, D.

2013-12-01

Seismological estimates of fracture energy show a scaling with the total slip of an earthquake [e.g., Abercrombie and Rice, GJI 2005]. Potential sources for this scale dependency are coseismic fault strength reductions that continue with increasing slip or an increasing amount of off-fault inelastic deformation with dynamic rupture propagation [e.g., Andrews, JGR 2005; Rice, JGR 2006]. Here, we investigate the former mechanism by solving for the slip dependence of fracture energy at the crack tip of a dynamically propagating rupture in which weakening takes place by strong reductions of friction via flash heating of asperity contacts and thermal pressurization of pore fluid leading to reductions in effective normal stress. Laboratory measurements of small characteristic slip evolution distances for friction (~10 μm at low slip rates of μm-mm/s, possibly up to 1 mm for slip rates near 0.1 m/s) [e.g., Marone and Kilgore, Nature 1993; Kohli et al., JGR 2011] imply that flash weakening of friction occurs at small slips before any significant thermal pressurization and may thus have a negligible contribution to the total fracture energy [Brantut and Rice, GRL 2011; Garagash, AGU 2011]. The subsequent manner of weakening under thermal pressurization (the dominant contributor to fracture energy) spans a range of behavior from the deformation of a finite-thickness shear zone in which diffusion is negligible (i.e., undrained-adiabatic) to that in which large-scale diffusion obscures the existence of a thin shear zone and thermal pressurization effectively occurs by the heating of slip on a plane. Separating the contribution of flash heating, the dynamic rupture solutions reduce to a problem with a single parameter, which is the ratio of the undrained-adiabatic slip-weakening distance (δc) to the characteristic slip-on-a-plane slip-weakening distance (L*). However, for any value of the parameter, there are two end-member scalings of the fracture energy: for small slip

The Monotonic Lagrangian Grid for Rapid Air-Traffic Evaluation

NASA Technical Reports Server (NTRS)

Kaplan, Carolyn; Dahm, Johann; Oran, Elaine; Alexandrov, Natalia; Boris, Jay

2010-01-01

The Air Traffic Monotonic Lagrangian Grid (ATMLG) is presented as a tool to evaluate new air traffic system concepts. The model, based on an algorithm called the Monotonic Lagrangian Grid (MLG), can quickly sort, track, and update positions of many aircraft, both on the ground (at airports) and in the air. The underlying data structure is based on the MLG, which is used for sorting and ordering positions and other data needed to describe N moving bodies and their interactions. Aircraft that are close to each other in physical space are always near neighbors in the MLG data arrays, resulting in a fast nearest-neighbor interaction algorithm that scales as N. Recent upgrades to ATMLG include adding blank place-holders within the MLG data structure, which makes it possible to dynamically change the MLG size and also improves the quality of the MLG grid. Additional upgrades include adding FAA flight plan data, such as way-points and arrival and departure times from the Enhanced Traffic Management System (ETMS), and combining the MLG with the state-of-the-art strategic and tactical conflict detection and resolution algorithms from the NASA-developed Stratway software. In this paper, we present results from our early efforts to couple ATMLG with the Stratway software, and we demonstrate that it can be used to quickly simulate air traffic flow for a very large ETMS dataset.

Direct reconstruction of pharmacokinetic parameters in dynamic fluorescence molecular tomography by the augmented Lagrangian method

NASA Astrophysics Data System (ADS)

Zhu, Dianwen; Zhang, Wei; Zhao, Yue; Li, Changqing

2016-03-01

Dynamic fluorescence molecular tomography (FMT) has the potential to quantify physiological or biochemical information, known as pharmacokinetic parameters, which are important for cancer detection, drug development and delivery etc. To image those parameters, there are indirect methods, which are easier to implement but tend to provide images with low signal-to-noise ratio, and direct methods, which model all the measurement noises together and are statistically more efficient. The direct reconstruction methods in dynamic FMT have attracted a lot of attention recently. However, the coupling of tomographic image reconstruction and nonlinearity of kinetic parameter estimation due to the compartment modeling has imposed a huge computational burden to the direct reconstruction of the kinetic parameters. In this paper, we propose to take advantage of both the direct and indirect reconstruction ideas through a variable splitting strategy under the augmented Lagrangian framework. Each iteration of the direct reconstruction is split into two steps: the dynamic FMT image reconstruction and the node-wise nonlinear least squares fitting of the pharmacokinetic parameter images. Through numerical simulation studies, we have found that the proposed algorithm can achieve good reconstruction results within a small amount of time. This will be the first step for a combined dynamic PET and FMT imaging in the future.

A Lagrangian stochastic model to demonstrate multi-scale interactions between convection and land surface heterogeneity in the atmospheric boundary layer

NASA Astrophysics Data System (ADS)

Parsakhoo, Zahra; Shao, Yaping

2017-04-01

Near-surface turbulent mixing has considerable effect on surface fluxes, cloud formation and convection in the atmospheric boundary layer (ABL). Its quantifications is however a modeling and computational challenge since the small eddies are not fully resolved in Eulerian models directly. We have developed a Lagrangian stochastic model to demonstrate multi-scale interactions between convection and land surface heterogeneity in the atmospheric boundary layer based on the Ito Stochastic Differential Equation (SDE) for air parcels (particles). Due to the complexity of the mixing in the ABL, we find that linear Ito SDE cannot represent convections properly. Three strategies have been tested to solve the problem: 1) to make the deterministic term in the Ito equation non-linear; 2) to change the random term in the Ito equation fractional, and 3) to modify the Ito equation by including Levy flights. We focus on the third strategy and interpret mixing as interaction between at least two stochastic processes with different Lagrangian time scales. The model is in progress to include the collisions among the particles with different characteristic and to apply the 3D model for real cases. One application of the model is emphasized: some land surface patterns are generated and then coupled with the Large Eddy Simulation (LES).

Dynamic analysis of a needle insertion for soft materials: Arbitrary Lagrangian-Eulerian-based three-dimensional finite element analysis.

PubMed

Yamaguchi, Satoshi; Tsutsui, Kihei; Satake, Koji; Morikawa, Shigehiro; Shirai, Yoshiaki; Tanaka, Hiromi T

2014-10-01

Our goal was to develop a three-dimensional finite element model that enables dynamic analysis of needle insertion for soft materials. To demonstrate large deformation and fracture, we used the arbitrary Lagrangian-Eulerian (ALE) method for fluid analysis. We performed ALE-based finite element analysis for 3% agar gel and three types of copper needle with bevel tips. To evaluate simulation results, we compared the needle deflection and insertion force with corresponding experimental results acquired with a uniaxial manipulator. We studied the shear stress distribution of agar gel on various time scales. For 30°, 45°, and 60°, differences in deflections of each needle between both sets of results were 2.424, 2.981, and 3.737mm, respectively. For the insertion force, there was no significant difference for mismatching area error (p<0.05) between simulation and experimental results. Our results have the potential to be a stepping stone to develop pre-operative surgical planning to estimate an optimal needle insertion path for MR image-guided microwave coagulation therapy and for analyzing large deformation and fracture in biological tissues. Copyright © 2014 Elsevier Ltd. All rights reserved.

Effects of Helicity on Lagrangian and Eulerian Time Correlations in Turbulence

NASA Technical Reports Server (NTRS)

Rubinstein, Robert; Zhou, Ye

1998-01-01

Taylor series expansions of turbulent time correlation functions are applied to show that helicity influences Eulerian time correlations more strongly than Lagrangian time correlations: to second order in time, the helicity effect on Lagrangian time correlations vanishes, but the helicity effect on Eulerian time correlations is nonzero. Fourier analysis shows that the helicity effect on Eulerian time correlations is confined to the largest inertial range scales. Some implications for sound radiation by swirling flows are discussed.

Cooperative Convex Optimization in Networked Systems: Augmented Lagrangian Algorithms With Directed Gossip Communication

NASA Astrophysics Data System (ADS)

Jakovetic, Dusan; Xavier, João; Moura, José M. F.

2011-08-01

We study distributed optimization in networked systems, where nodes cooperate to find the optimal quantity of common interest, x=x^\\star. The objective function of the corresponding optimization problem is the sum of private (known only by a node,) convex, nodes' objectives and each node imposes a private convex constraint on the allowed values of x. We solve this problem for generic connected network topologies with asymmetric random link failures with a novel distributed, decentralized algorithm. We refer to this algorithm as AL-G (augmented Lagrangian gossiping,) and to its variants as AL-MG (augmented Lagrangian multi neighbor gossiping) and AL-BG (augmented Lagrangian broadcast gossiping.) The AL-G algorithm is based on the augmented Lagrangian dual function. Dual variables are updated by the standard method of multipliers, at a slow time scale. To update the primal variables, we propose a novel, Gauss-Seidel type, randomized algorithm, at a fast time scale. AL-G uses unidirectional gossip communication, only between immediate neighbors in the network and is resilient to random link failures. For networks with reliable communication (i.e., no failures,) the simplified, AL-BG (augmented Lagrangian broadcast gossiping) algorithm reduces communication, computation and data storage cost. We prove convergence for all proposed algorithms and demonstrate by simulations the effectiveness on two applications: l_1-regularized logistic regression for classification and cooperative spectrum sensing for cognitive radio networks.

Nonpolynomial Lagrangian approach to regular black holes

NASA Astrophysics Data System (ADS)

Colléaux, Aimeric; Chinaglia, Stefano; Zerbini, Sergio

We present a review on Lagrangian models admitting spherically symmetric regular black holes (RBHs), and cosmological bounce solutions. Nonlinear electrodynamics, nonpolynomial gravity, and fluid approaches are explained in details. They consist respectively in a gauge invariant generalization of the Maxwell-Lagrangian, in modifications of the Einstein-Hilbert action via nonpolynomial curvature invariants, and finally in the reconstruction of density profiles able to cure the central singularity of black holes. The nonpolynomial gravity curvature invariants have the special property to be second-order and polynomial in the metric field, in spherically symmetric spacetimes. Along the way, other models and results are discussed, and some general properties that RBHs should satisfy are mentioned. A covariant Sakharov criterion for the absence of singularities in dynamical spherically symmetric spacetimes is also proposed and checked for some examples of such regular metric fields.

Lagrangian analysis. Modern tool of the dynamics of solids

NASA Astrophysics Data System (ADS)

Cagnoux, J.; Chartagnac, P.; Hereil, P.; Perez, M.; Seaman, L.

Explosive metal-working, material synthesis under shock loading, terminal ballistics, and explosive rock-blasting, are some of the civil and military fields of activity that call for a wider knowledge about the behavior of materials subjected to strong dynamic pressures. It is in these fields that Lagrangian analysis methods, the subject of this work, prove to be a useful investigative tool for the physicist. Lagrangian analysis was developed around 1970 by Fowles and Williams. The idea is based on the integration of the conservation equations of mechanics using stress or particle velocity records obtained by means of transducers placed in the path of a stress wave. In this way, all the kinematical and mechanical quantities contained in the conservation equations are obtained. In the first chapter the authors introduce the mathematical tools used to analyze plane and spherical one-dimensional motions. For plane motion, they describe the mathematical analysis methods pertinent to the three regimes of wave propagation encountered : the non-attenuating unsteady wave, the simple wave, and the attenuating unsteady wave. In each of these regimes, cases are treated for which either stress or particle velocity records are initially available. The authors insist that one or the other groups of data (stress and particle velocity) are sufficient to integrate the conservation equations in the case of the plane motion when both groups of data are necessary in the case of the spherical motion. However, in spite of this additional difficulty, Lagrangian analysis of the spherical motion remains particularly interesting for the physicist because it allows access to the behavior of the material under deformation processes other than that imposed by plane one-dimensional motion. The methods expounded in the first chapter are based on Lagrangian measurement of particle velocity and stress in relation to time in a material compressed by a plane or spherical dilatational wave. The

Collisionless Dynamics and the Cosmic Web

NASA Astrophysics Data System (ADS)

Hahn, Oliver

2016-10-01

I review the nature of three-dimensional collapse in the Zeldovich approximation, how it relates to the underlying nature of the three-dimensional Lagrangian manifold and naturally gives rise to a hierarchical structure formation scenario that progresses through collapse from voids to pancakes, filaments and then halos. I then discuss how variations of the Zeldovich approximation (based on the gravitational or the velocity potential) have been used to define classifications of the cosmic large-scale structure into dynamically distinct parts. Finally, I turn to recent efforts to devise new approaches relying on tessellations of the Lagrangian manifold to follow the fine-grained dynamics of the dark matter fluid into the highly non-linear regime and both extract the maximum amount of information from existing simulations as well as devise new simulation techniques for cold collisionless dynamics.

Verification of experimental dynamic strength methods with atomistic ramp-release simulations

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

Moore, Alexander P.; Brown, Justin L.; Lim, Hojun

Material strength and moduli can be determined from dynamic high-pressure ramp-release experiments using an indirect method of Lagrangian wave profile analysis of surface velocities. This method, termed self-consistent Lagrangian analysis (SCLA), has been difficult to calibrate and corroborate with other experimental methods. Using nonequilibrium molecular dynamics, we validate the SCLA technique by demonstrating that it accurately predicts the same bulk modulus, shear modulus, and strength as those calculated from the full stress tensor data, especially where strain rate induced relaxation effects and wave attenuation are small. We show here that introducing a hold in the loading profile at peak pressuremore » gives improved accuracy in the shear moduli and relaxation-adjusted strength by reducing the effect of wave attenuation. When rate-dependent effects coupled with wave attenuation are large, we find that Lagrangian analysis overpredicts the maximum unload wavespeed, leading to increased error in the measured dynamic shear modulus. Furthermore, these simulations provide insight into the definition of dynamic strength, as well as a plausible explanation for experimental disagreement in reported dynamic strength values.« less

Verification of experimental dynamic strength methods with atomistic ramp-release simulations

NASA Astrophysics Data System (ADS)

Moore, Alexander P.; Brown, Justin L.; Lim, Hojun; Lane, J. Matthew D.

2018-05-01

Material strength and moduli can be determined from dynamic high-pressure ramp-release experiments using an indirect method of Lagrangian wave profile analysis of surface velocities. This method, termed self-consistent Lagrangian analysis (SCLA), has been difficult to calibrate and corroborate with other experimental methods. Using nonequilibrium molecular dynamics, we validate the SCLA technique by demonstrating that it accurately predicts the same bulk modulus, shear modulus, and strength as those calculated from the full stress tensor data, especially where strain rate induced relaxation effects and wave attenuation are small. We show here that introducing a hold in the loading profile at peak pressure gives improved accuracy in the shear moduli and relaxation-adjusted strength by reducing the effect of wave attenuation. When rate-dependent effects coupled with wave attenuation are large, we find that Lagrangian analysis overpredicts the maximum unload wavespeed, leading to increased error in the measured dynamic shear modulus. These simulations provide insight into the definition of dynamic strength, as well as a plausible explanation for experimental disagreement in reported dynamic strength values.

Verification of experimental dynamic strength methods with atomistic ramp-release simulations

DOE PAGES

Moore, Alexander P.; Brown, Justin L.; Lim, Hojun; ...

2018-05-04

Material strength and moduli can be determined from dynamic high-pressure ramp-release experiments using an indirect method of Lagrangian wave profile analysis of surface velocities. This method, termed self-consistent Lagrangian analysis (SCLA), has been difficult to calibrate and corroborate with other experimental methods. Using nonequilibrium molecular dynamics, we validate the SCLA technique by demonstrating that it accurately predicts the same bulk modulus, shear modulus, and strength as those calculated from the full stress tensor data, especially where strain rate induced relaxation effects and wave attenuation are small. We show here that introducing a hold in the loading profile at peak pressuremore » gives improved accuracy in the shear moduli and relaxation-adjusted strength by reducing the effect of wave attenuation. When rate-dependent effects coupled with wave attenuation are large, we find that Lagrangian analysis overpredicts the maximum unload wavespeed, leading to increased error in the measured dynamic shear modulus. Furthermore, these simulations provide insight into the definition of dynamic strength, as well as a plausible explanation for experimental disagreement in reported dynamic strength values.« less

Form of the manifestly covariant Lagrangian

NASA Astrophysics Data System (ADS)

Johns, Oliver Davis

1985-10-01

The preferred form for the manifestly covariant Lagrangian function of a single, charged particle in a given electromagnetic field is the subject of some disagreement in the textbooks. Some authors use a ``homogeneous'' Lagrangian and others use a ``modified'' form in which the covariant Hamiltonian function is made to be nonzero. We argue in favor of the ``homogeneous'' form. We show that the covariant Lagrangian theories can be understood only if one is careful to distinguish quantities evaluated on the varied (in the sense of the calculus of variations) world lines from quantities evaluated on the unvaried world lines. By making this distinction, we are able to derive the Hamilton-Jacobi and Klein-Gordon equations from the ``homogeneous'' Lagrangian, even though the covariant Hamiltonian function is identically zero on all world lines. The derivation of the Klein-Gordon equation in particular gives Lagrangian theoretical support to the derivations found in standard quantum texts, and is also shown to be consistent with the Feynman path-integral method. We conclude that the ``homogeneous'' Lagrangian is a completely adequate basis for covariant Lagrangian theory both in classical and quantum mechanics. The article also explores the analogy with the Fermat theorem of optics, and illustrates a simple invariant notation for the Lagrangian and other four-vector equations.

Scale Dependence of Dark Energy Antigravity

NASA Astrophysics Data System (ADS)

Perivolaropoulos, L.

2002-09-01

We investigate the effects of negative pressure induced by dark energy (cosmological constant or quintessence) on the dynamics at various astrophysical scales. Negative pressure induces a repulsive term (antigravity) in Newton's law which dominates on large scales. Assuming a value of the cosmological constant consistent with the recent SnIa data we determine the critical scale $r_c$ beyond which antigravity dominates the dynamics ($r_c \\sim 1Mpc $) and discuss some of the dynamical effects implied. We show that dynamically induced mass estimates on the scale of the Local Group and beyond are significantly modified due to negative pressure. We also briefly discuss possible dynamical tests (eg effects on local Hubble flow) that can be applied on relatively small scales (a few $Mpc$) to determine the density and equation of state of dark energy.

Lagrangian Observations and Modeling of Marine Larvae

NASA Astrophysics Data System (ADS)

Paris, Claire B.; Irisson, Jean-Olivier

2017-04-01

Just within the past two decades, studies on the early-life history stages of marine organisms have led to new paradigms in population dynamics. Unlike passive plant seeds that are transported by the wind or by animals, marine larvae have motor and sensory capabilities. As a result, marine larvae have a tremendous capacity to actively influence their dispersal. This is continuously revealed as we develop new techniques to observe larvae in their natural environment and begin to understand their ability to detect cues throughout ontogeny, process the information, and use it to ride ocean currents and navigate their way back home, or to a place like home. We present innovative in situ and numerical modeling approaches developed to understand the underlying mechanisms of larval transport in the ocean. We describe a novel concept of a Lagrangian platform, the Drifting In Situ Chamber (DISC), designed to observe and quantify complex larval behaviors and their interactions with the pelagic environment. We give a brief history of larval ecology research with the DISC, showing that swimming is directional in most species, guided by cues as diverse as the position of the sun or the underwater soundscape, and even that (unlike humans!) larvae orient better and swim faster when moving as a group. The observed Lagrangian behavior of individual larvae are directly implemented in the Connectivity Modeling System (CMS), an open source Lagrangian tracking application. Simulations help demonstrate the impact that larval behavior has compared to passive Lagrangian trajectories. These methodologies are already the base of exciting findings and are promising tools for documenting and simulating the behavior of other small pelagic organisms, forecasting their migration in a changing ocean.

Gravitational Lagrangians, Mach's Principle, and the Equivalence Principle in an Expanding Universe

NASA Astrophysics Data System (ADS)

Essén, Hanno

2014-08-01

Gravitational Lagrangians as derived by Fock for the Einstein-Infeld-Hoffmann approach, and by Kennedy assuming only a fourth rank tensor interaction, contain long range interactions. Here we investigate how these affect the local dynamics when integrated over an expanding universe out to the Hubble radius. Taking the cosmic expansion velocity into account in a heuristic manner it is found that these long range interactions imply Mach's principle, provided the universe has the critical density, and that mass is renormalized. Suitable higher order additions to the Lagrangians make the formalism consistent with the equivalence principle.

The stochastic dynamics of intermittent porescale particle motion

NASA Astrophysics Data System (ADS)

Dentz, Marco; Morales, Veronica; Puyguiraud, Alexandre; Gouze, Philippe; Willmann, Matthias; Holzner, Markus

2017-04-01

Numerical and experimental data for porescale particle dynamics show intermittent patterns in Lagrangian velocities and accelerations, which manifest in long time intervals of low and short durations of high velocities [1, 2]. This phenomenon is due to the spatial persistence of particle velocities on characteristic heterogeneity length scales. In order to systematically quantify these behaviors and extract the stochastic dynamics of particle motion, we focus on the analysis of Lagrangian velocities sampled equidistantly along trajectories [3]. This method removes the intermittency observed under isochrone sampling. The space-Lagrangian velocity series can be quantified by a Markov process that is continuous in distance along streamline. It is fully parameterized in terms of the flux-weighted Eulerian velocity PDF and the characteristic pore-length. The resulting stochastic particle motion describes a continuous time random walk (CTRW). This approach allows for the process based interpretation of experimental and numerical porescale velocity, acceleration and displacement data. It provides a framework for the characterization and upscaling of particle transport and dispersion from the pore to the Darcy-scale based on the medium geometry and Eulerian flow attributes. [1] P. De Anna, T. Le Borgne, M. Dentz, A.M. Tartakovsky, D. Bolster, and P. Davy, "Flow intermittency, dispersion, and correlated continuous time random walks in porous media," Phys. Rev. Lett. 110, 184502 (2013). [2] M. Holzner, V. L. Morales, M. Willmann, and M. Dentz, "Intermittent Lagrangian velocities and accelerations in three- dimensional porous medium flow," Phys. Rev. E 92, 013015 (2015). [3] M. Dentz, P. K. Kang, A. Comolli, T. Le Borgne, and D. R. Lester, "Continuous time random walks for the evolution of Lagrangian velocities," Phys. Rev. Fluids (2016).

Scale-Dependent Friction and Damage Interface law: implications for effective earthquake rupture dynamics and radiation

NASA Astrophysics Data System (ADS)

Festa, Gaetano; Vilotte, Jean-Pierre; Raous, Michel; Henninger, Carole

2010-05-01

Propagation and radiation of an earthquake rupture is commonly considered as a friction dominated process on fault surfaces. Friction laws, such as the slip weakening and the rate-and-state laws are widely used in the modeling of the earthquake rupture process. These laws prescribe the traction evolution versus slip, slip rate and potentially other internal variables. They introduce a finite cohesive length scale over which the fracture energy is released. However faults are finite-width interfaces with complex internal structures, characterized by highly damaged zones embedding a very thin principal slip interface where most of the dynamic slip localizes. Even though the rupture process is generally investigated at wavelengths larger than the fault zone thickness, which should justify a formulation based upon surface energy, a consistent homogeneization, a very challenging problem, is still missing. Such homogeneization is however be required to derive the consistent form of an effective interface law, as well as the appropriate physical variables and length scales, to correctly describe the coarse-grained dissipation resulting from surface and volumetric contributions at the scale of the fault zone. In this study, we investigate a scale-dependent law, introduced by Raous et al. (1999) in the context of adhesive material interfaces, that takes into account the transition between a damage dominated and a friction dominated state. Such a phase-field formalism describes this transition through an order parameter. We first compare this law to standard slip weakening friction law in terms of the rupture nucleation. The problem is analyzed through the representation of the solution of the quasi-static elastic problem onto the Chebyshev polynomial basis, generalizing the Uenishi-Rice solution. The nucleation solutions, at the onset of instability, are then introduced as initial conditions for the study of the dynamic rupture propagation, in the case of in-plane rupture

A Lagrangian discontinuous Galerkin hydrodynamic method

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

Liu, Xiaodong; Morgan, Nathaniel Ray; Burton, Donald E.

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for solving the two-dimensional gas dynamic equations on unstructured hybrid meshes. The physical conservation laws for the momentum and total energy are discretized using a DG method based on linear Taylor expansions. Three different approaches are investigated for calculating the density variation over the element. The first approach evolves a Taylor expansion of the specific volume field. The second approach follows certain finite element methods and uses the strong mass conservation to calculate the density field at a location inside the element or on the element surface. The thirdmore » approach evolves a Taylor expansion of the density field. The nodal velocity, and the corresponding forces, are explicitly calculated by solving a multidirectional approximate Riemann problem. An effective limiting strategy is presented that ensures monotonicity of the primitive variables. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. Results from a suite of test problems are presented to demonstrate the robustness and expected second-order accuracy of this new method.« less

A Lagrangian discontinuous Galerkin hydrodynamic method

DOE PAGES

Liu, Xiaodong; Morgan, Nathaniel Ray; Burton, Donald E.

2017-12-11

Here, we present a new Lagrangian discontinuous Galerkin (DG) hydrodynamic method for solving the two-dimensional gas dynamic equations on unstructured hybrid meshes. The physical conservation laws for the momentum and total energy are discretized using a DG method based on linear Taylor expansions. Three different approaches are investigated for calculating the density variation over the element. The first approach evolves a Taylor expansion of the specific volume field. The second approach follows certain finite element methods and uses the strong mass conservation to calculate the density field at a location inside the element or on the element surface. The thirdmore » approach evolves a Taylor expansion of the density field. The nodal velocity, and the corresponding forces, are explicitly calculated by solving a multidirectional approximate Riemann problem. An effective limiting strategy is presented that ensures monotonicity of the primitive variables. This new Lagrangian DG hydrodynamic method conserves mass, momentum, and total energy. Results from a suite of test problems are presented to demonstrate the robustness and expected second-order accuracy of this new method.« less

"Lagrangian" for a Non-Lagrangian Field Theory with N=2 Supersymmetry.

PubMed

Gadde, Abhijit; Razamat, Shlomo S; Willett, Brian

2015-10-23

We suggest that at least some of the strongly coupled N=2 quantum field theories in 4D can have a nonconformal N=1 Lagrangian description flowing to them at low energies. In particular, we construct such a description for the N=2 rank one superconformal field theory with E(6) flavor symmetry, for which a Lagrangian description was previously unavailable. We utilize this description to compute several supersymmetric partition functions.

GPU-accelerated computing for Lagrangian coherent structures of multi-body gravitational regimes

NASA Astrophysics Data System (ADS)

Lin, Mingpei; Xu, Ming; Fu, Xiaoyu

2017-04-01

Based on a well-established theoretical foundation, Lagrangian Coherent Structures (LCSs) have elicited widespread research on the intrinsic structures of dynamical systems in many fields, including the field of astrodynamics. Although the application of LCSs in dynamical problems seems straightforward theoretically, its associated computational cost is prohibitive. We propose a block decomposition algorithm developed on Compute Unified Device Architecture (CUDA) platform for the computation of the LCSs of multi-body gravitational regimes. In order to take advantage of GPU's outstanding computing properties, such as Shared Memory, Constant Memory, and Zero-Copy, the algorithm utilizes a block decomposition strategy to facilitate computation of finite-time Lyapunov exponent (FTLE) fields of arbitrary size and timespan. Simulation results demonstrate that this GPU-based algorithm can satisfy double-precision accuracy requirements and greatly decrease the time needed to calculate final results, increasing speed by approximately 13 times. Additionally, this algorithm can be generalized to various large-scale computing problems, such as particle filters, constellation design, and Monte-Carlo simulation.

Eulerian-Lagrangian Simulations of Transonic Flutter Instabilities

NASA Technical Reports Server (NTRS)

Bendiksen, Oddvar O.

1994-01-01

This paper presents an overview of recent applications of Eulerian-Lagrangian computational schemes in simulating transonic flutter instabilities. This approach, the fluid-structure system is treated as a single continuum dynamics problem, by switching from an Eulerian to a Lagrangian formulation at the fluid-structure boundary. This computational approach effectively eliminates the phase integration errors associated with previous methods, where the fluid and structure are integrated sequentially using different schemes. The formulation is based on Hamilton's Principle in mixed coordinates, and both finite volume and finite element discretization schemes are considered. Results from numerical simulations of transonic flutter instabilities are presented for isolated wings, thin panels, and turbomachinery blades. The results suggest that the method is capable of reproducing the energy exchange between the fluid and the structure with significantly less error than existing methods. Localized flutter modes and panel flutter modes involving traveling waves can also be simulated effectively with no a priori knowledge of the type of instability involved.

The Hamiltonian and Lagrangian approaches to the dynamics of nonholonomic systems

NASA Astrophysics Data System (ADS)

Koon, Wang Sang; Marsden, Jerrold E.

1997-08-01

This paper compares the Hamiltonian approach to systems with nonholonomic constraints (see [31, 2, 4, 29] and references therein) with the Lagrangian approach (see [16, 27, 9]). There are many differences in the approaches and each has its own advantages; some structures have been discovered on one side and their analogues on the other side are interesting to clarify. For example, the momentum equation and the reconstruction equation were first found on the Lagrangian side and are useful for the control theory of these systems, while the failure of the reduced two-form to be closed (i.e., the failure of the Poisson bracket to satisfy the Jacobi identity) was first noticed on the Hamiltonian side. Clarifying the relation between these approaches is important for the future development of the control theory and stability and bifurcation theory for such systems. In addition to this work, we treat, in this unified framework, a simplified model of the bicycle (see [12, 13]), which is an important underactuated (nonminimum phase) control system.

Mass properties measurement system dynamics

NASA Technical Reports Server (NTRS)

Doty, Keith L.

1993-01-01

The MPMS mechanism possess two revolute degrees-of-freedom and allows the user to measure the mass, center of gravity, and the inertia tensor of an unknown mass. The dynamics of the Mass Properties Measurement System (MPMS) from the Lagrangian approach to illustrate the dependency of the motion on the unknown parameters.

Lagrangian averaging with geodesic mean

NASA Astrophysics Data System (ADS)

Oliver, Marcel

2017-11-01

This paper revisits the derivation of the Lagrangian averaged Euler (LAE), or Euler-α equations in the light of an intrinsic definition of the averaged flow map as the geodesic mean on the volume-preserving diffeomorphism group. Under the additional assumption that first-order fluctuations are statistically isotropic and transported by the mean flow as a vector field, averaging of the kinetic energy Lagrangian of an ideal fluid yields the LAE Lagrangian. The derivation presented here assumes a Euclidean spatial domain without boundaries.

Lagrangian averaging with geodesic mean.

PubMed

Oliver, Marcel

2017-11-01

This paper revisits the derivation of the Lagrangian averaged Euler (LAE), or Euler- α equations in the light of an intrinsic definition of the averaged flow map as the geodesic mean on the volume-preserving diffeomorphism group. Under the additional assumption that first-order fluctuations are statistically isotropic and transported by the mean flow as a vector field, averaging of the kinetic energy Lagrangian of an ideal fluid yields the LAE Lagrangian. The derivation presented here assumes a Euclidean spatial domain without boundaries.

Dynamic Scaling of Colloidal Gel Formation at Intermediate Concentrations

DOE PAGES

Zhang, Qingteng; Bahadur, Divya; Dufresne, Eric M.; ...

2017-10-25

Here, we have examined the formation and dissolution of gels composed of intermediate volume-fraction nanoparticles with temperature-dependent short-range attractions using small-angle x-ray scatter- ing (SAXS), x-ray photon correlation spectroscopy (XPCS), and rheology to obtain nanoscale and macroscale sensitivity to structure and dynamics. Gel formation after temperature quenches to the vicinity of the rheologically-determined gel temperature, T gel, was characterized via the slow-down of dynamics and changes in microstructure observed in the intensity autocorrelation functions and structure factor, respectively, as a function of quench depth (ΔT = T quench - T gel), wave vector, and formation time (t f). We findmore » similar patterns in the slow-down of dynamics that maps the wave-vector-dependent dynamics at a particular ΔT and t f to that at other ΔTs and t fs via an effective scaling temperature, Ts. A single Ts applies to a broad range of ΔT and tf but does depend on the particle size. The rate of formation implied by the scaling is a far stronger function of ΔT than that of the attraction strength between colloids. Finally, we interpret this strong temperature de- pendence in terms of changes in cooperative bonding required to form stable, energetically favored, local structures.« less

Dynamic Scaling of Colloidal Gel Formation at Intermediate Concentrations

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

Zhang, Qingteng; Bahadur, Divya; Dufresne, Eric M.

Here, we have examined the formation and dissolution of gels composed of intermediate volume-fraction nanoparticles with temperature-dependent short-range attractions using small-angle x-ray scatter- ing (SAXS), x-ray photon correlation spectroscopy (XPCS), and rheology to obtain nanoscale and macroscale sensitivity to structure and dynamics. Gel formation after temperature quenches to the vicinity of the rheologically-determined gel temperature, T gel, was characterized via the slow-down of dynamics and changes in microstructure observed in the intensity autocorrelation functions and structure factor, respectively, as a function of quench depth (ΔT = T quench - T gel), wave vector, and formation time (t f). We findmore » similar patterns in the slow-down of dynamics that maps the wave-vector-dependent dynamics at a particular ΔT and t f to that at other ΔTs and t fs via an effective scaling temperature, Ts. A single Ts applies to a broad range of ΔT and tf but does depend on the particle size. The rate of formation implied by the scaling is a far stronger function of ΔT than that of the attraction strength between colloids. Finally, we interpret this strong temperature de- pendence in terms of changes in cooperative bonding required to form stable, energetically favored, local structures.« less

Lagrangian geometrical optics of nonadiabatic vector waves and spin particles

DOE PAGES

Ruiz, D. E.; Dodin, I. Y.

2015-07-29

Linear vector waves, both quantum and classical, experience polarization-driven bending of ray trajectories and polarization dynamics that can be interpreted as the precession of the "wave spin". Here, both phenomena are governed by an effective gauge Hamiltonian vanishing in leading-order geometrical optics. This gauge Hamiltonian can be recognized as a generalization of the Stern-Gerlach Hamiltonian that is commonly known for spin-1/2 quantum particles. The corresponding reduced Lagrangians for continuous nondissipative waves and their geometrical-optics rays are derived from the fundamental wave Lagrangian. The resulting Euler-Lagrange equations can describe simultaneous interactions of N resonant modes, where N is arbitrary, and leadmore » to equations for the wave spin, which happens to be an (N 2 - 1)-dimensional spin vector. As a special case, classical equations for a Dirac particle (N = 2) are deduced formally, without introducing additional postulates or interpretations, from the Dirac quantum Lagrangian with the Pauli term. The model reproduces the Bargmann-Michel-Telegdi equations with added Stern-Gerlach force.« less

Sequence-dependent nanometer-scale conformational dynamics of individual RecBCD–DNA complexes

PubMed Central

Carter, Ashley R.; Seaberg, Maasa H.; Fan, Hsiu-Fang; Sun, Gang; Wilds, Christopher J.; Li, Hung-Wen; Perkins, Thomas T.

2016-01-01

RecBCD is a multifunctional enzyme that possesses both helicase and nuclease activities. To gain insight into the mechanism of its helicase function, RecBCD unwinding at low adenosine triphosphate (ATP) (2–4 μM) was measured using an optical-trapping assay featuring 1 base-pair (bp) precision. Instead of uniformly sized steps, we observed forward motion convolved with rapid, large-scale (∼4 bp) variations in DNA length. We interpret this motion as conformational dynamics of the RecBCD–DNA complex in an unwinding-competent state, arising, in part, by an enzyme-induced, back-and-forth motion relative to the dsDNA that opens and closes the duplex. Five observations support this interpretation. First, these dynamics were present in the absence of ATP. Second, the onset of the dynamics was coupled to RecBCD entering into an unwinding-competent state that required a sufficiently long 5′ strand to engage the RecD helicase. Third, the dynamics were modulated by the GC-content of the dsDNA. Fourth, the dynamics were suppressed by an engineered interstrand cross-link in the dsDNA that prevented unwinding. Finally, these dynamics were suppressed by binding of a specific non-hydrolyzable ATP analog. Collectively, these observations show that during unwinding, RecBCD binds to DNA in a dynamic mode that is modulated by the nucleotide state of the ATP-binding pocket. PMID:27220465

Neutron star dynamics under time-dependent external torques

NASA Astrophysics Data System (ADS)

Gügercinoǧlu, Erbil; Alpar, M. Ali

2017-11-01

The two-component model describes neutron star dynamics incorporating the response of the superfluid interior. Conventional solutions and applications involve constant external torques, as appropriate for radio pulsars on dynamical time-scales. We present the general solution of two-component dynamics under arbitrary time-dependent external torques, with internal torques that are linear in the rotation rates, or with the extremely non-linear internal torques due to vortex creep. The two-component model incorporating the response of linear or non-linear internal torques can now be applied not only to radio pulsars but also to magnetars and to neutron stars in binary systems, with strong observed variability and noise in the spin-down or spin-up rates. Our results allow the extraction of the time-dependent external torques from the observed spin-down (or spin-up) time series, \\dot{Ω }(t). Applications are discussed.

Scale criticality in estimating ecosystem carbon dynamics

USGS Publications Warehouse

Zhao, Shuqing; Liu, Shuguang

2014-01-01

Scaling is central to ecology and Earth system sciences. However, the importance of scale (i.e. resolution and extent) for understanding carbon dynamics across scales is poorly understood and quantified. We simulated carbon dynamics under a wide range of combinations of resolution (nine spatial resolutions of 250 m, 500 m, 1 km, 2 km, 5 km, 10 km, 20 km, 50 km, and 100 km) and extent (57 geospatial extents ranging from 108 to 1 247 034 km2) in the southeastern United States to explore the existence of scale dependence of the simulated regional carbon balance. Results clearly show the existence of a critical threshold resolution for estimating carbon sequestration within a given extent and an error limit. Furthermore, an invariant power law scaling relationship was found between the critical resolution and the spatial extent as the critical resolution is proportional to An (n is a constant, and A is the extent). Scale criticality and the power law relationship might be driven by the power law probability distributions of land surface and ecological quantities including disturbances at landscape to regional scales. The current overwhelming practices without considering scale criticality might have largely contributed to difficulties in balancing carbon budgets at regional and global scales.

Uncovering the Geometry of Barrierless Reactions Using Lagrangian Descriptors.

PubMed

Junginger, Andrej; Hernandez, Rigoberto

2016-03-03

Transition-state theories describing barrierless chemical reactions, or more general activated problems, are often hampered by the lack of a saddle around which the dividing surface can be constructed. For example, the time-dependent transition-state trajectory uncovering the nonrecrossing dividing surface in thermal reactions in the framework of the Langevin equation has relied on perturbative approaches in the vicinity of the saddle. We recently obtained an alternative approach using Lagrangian descriptors to construct time-dependent and recrossing-free dividing surfaces. This is a nonperturbative approach making no reference to a putative saddle. Here we show how the Lagrangian descriptor can be used to obtain the transition-state geometry of a dissipated and thermalized reaction across barrierless potentials. We illustrate the method in the case of a 1D Brownian motion for both barrierless and step potentials; however, the method is not restricted and can be directly applied to different kinds of potentials and higher dimensional systems.

Lagrangian formulation of irreversible thermodynamics and the second law of thermodynamics.

PubMed

Glavatskiy, K S

2015-05-28

We show that the equations which describe irreversible evolution of a system can be derived from a variational principle. We suggest a Lagrangian, which depends on the properties of the normal and the so-called "mirror-image" system. The Lagrangian is symmetric in time and therefore compatible with microscopic reversibility. The evolution equations in the normal and mirror-imaged systems are decoupled and describe therefore independent irreversible evolution of each of the systems. The second law of thermodynamics follows from a symmetry of the Lagrangian. Entropy increase in the normal system is balanced by the entropy decrease in the mirror-image system, such that there exists an "integral of evolution" which is a constant. The derivation relies on the property of local equilibrium, which states that the local relations between the thermodynamic quantities in non-equilibrium are the same as in equilibrium.

Lagrangian formulation of the general relativistic Poynting-Robertson effect

NASA Astrophysics Data System (ADS)

De Falco, Vittorio; Battista, Emmanuele; Falanga, Maurizio

2018-04-01

We propose the Lagrangian formulation for describing the motion of a test particle in a general relativistic, stationary, and axially symmetric spacetime. The test particle is also affected by a radiation field, modeled as a coherent flux of photons traveling along the null geodesics of the background spacetime, including the general relativistic Poynting-Robertson effect. The innovative part of this work is to prove the existence of the potential linked to the dissipative action caused by the Poynting-Robertson effect in general relativity through the help of an integrating factor, depending on the energy of the system. Generally, such kinds of inverse problems involving dissipative effects might not admit a Lagrangian formulation; especially, in general relativity, there are no examples of such attempts in the literature so far. We reduce this general relativistic Lagrangian formulation to the classic case in the weak-field limit. This approach facilitates further studies in improving the treatment of the radiation field, and it contains, for example, some implications for a deeper comprehension of the gravitational waves.

Elimination of the Reaction Rate "Scale Effect": Application of the Lagrangian Reactive Particle-Tracking Method to Simulate Mixing-Limited, Field-Scale Biodegradation at the Schoolcraft (MI, USA) Site

NASA Astrophysics Data System (ADS)

Ding, Dong; Benson, David A.; Fernández-Garcia, Daniel; Henri, Christopher V.; Hyndman, David W.; Phanikumar, Mantha S.; Bolster, Diogo

2017-12-01

Measured (or empirically fitted) reaction rates at groundwater remediation sites are typically much lower than those found in the same material at the batch or laboratory scale. The reduced rates are commonly attributed to poorer mixing at the larger scales. A variety of methods have been proposed to account for this scaling effect in reactive transport. In this study, we use the Lagrangian particle-tracking and reaction (PTR) method to simulate a field bioremediation experiment at the Schoolcraft, MI site. A denitrifying bacterium, Pseudomonas Stutzeri strain KC (KC), was injected to the aquifer, along with sufficient substrate, to degrade the contaminant, carbon tetrachloride (CT), under anaerobic conditions. The PTR method simulates chemical reactions through probabilistic rules of particle collisions, interactions, and transformations to address the scale effect (lower apparent reaction rates for each level of upscaling, from batch to column to field scale). In contrast to a prior Eulerian reaction model, the PTR method is able to match the field-scale experiment using the rate coefficients obtained from batch experiments.

Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics

NASA Astrophysics Data System (ADS)

Sato, Takeshi; Pathak, Himadri; Orimo, Yuki; Ishikawa, Kenichi L.

2018-02-01

Time-dependent coupled-cluster method with time-varying orbital functions, called time-dependent optimized coupled-cluster (TD-OCC) method, is formulated for multielectron dynamics in an intense laser field. We have successfully derived the equations of motion for CC amplitudes and orthonormal orbital functions based on the real action functional, and implemented the method including double excitations (TD-OCCD) and double and triple excitations (TD-OCCDT) within the optimized active orbitals. The present method is size extensive and gauge invariant, a polynomial cost-scaling alternative to the time-dependent multiconfiguration self-consistent-field method. The first application of the TD-OCC method of intense-laser driven correlated electron dynamics in Ar atom is reported.

Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics.

PubMed

Sato, Takeshi; Pathak, Himadri; Orimo, Yuki; Ishikawa, Kenichi L

2018-02-07

Time-dependent coupled-cluster method with time-varying orbital functions, called time-dependent optimized coupled-cluster (TD-OCC) method, is formulated for multielectron dynamics in an intense laser field. We have successfully derived the equations of motion for CC amplitudes and orthonormal orbital functions based on the real action functional, and implemented the method including double excitations (TD-OCCD) and double and triple excitations (TD-OCCDT) within the optimized active orbitals. The present method is size extensive and gauge invariant, a polynomial cost-scaling alternative to the time-dependent multiconfiguration self-consistent-field method. The first application of the TD-OCC method of intense-laser driven correlated electron dynamics in Ar atom is reported.

Variational Lagrangian data assimilation in open channel networks

NASA Astrophysics Data System (ADS)

Wu, Qingfang; Tinka, Andrew; Weekly, Kevin; Beard, Jonathan; Bayen, Alexandre M.

2015-04-01

This article presents a data assimilation method in a tidal system, where data from both Lagrangian drifters and Eulerian flow sensors were fused to estimate water velocity. The system is modeled by first-order, hyperbolic partial differential equations subject to periodic forcing. The estimation problem can then be formulated as the minimization of the difference between the observed variables and model outputs, and eventually provide the velocity and water stage of the hydrodynamic system. The governing equations are linearized and discretized using an implicit discretization scheme, resulting in linear equality constraints in the optimization program. Thus, the flow estimation can be formed as an optimization problem and efficiently solved. The effectiveness of the proposed method was substantiated by a large-scale field experiment in the Sacramento-San Joaquin River Delta in California. A fleet of 100 sensors developed at the University of California, Berkeley, were deployed in Walnut Grove, CA, to collect a set of Lagrangian data, a time series of positions as the sensors moved through the water. Measurements were also taken from Eulerian sensors in the region, provided by the United States Geological Survey. It is shown that the proposed method can effectively integrate Lagrangian and Eulerian measurement data, resulting in a suited estimation of the flow variables within the hydraulic system.

Sigma decomposition: the CP-odd Lagrangian

NASA Astrophysics Data System (ADS)

Hierro, I. M.; Merlo, L.; Rigolin, S.

2016-04-01

In Alonso et al., JHEP 12 (2014) 034, the CP-even sector of the effective chiral Lagrangian for a generic composite Higgs model with a symmetric coset has been constructed, up to four momenta. In this paper, the CP-odd couplings are studied within the same context. If only the Standard Model bosonic sources of custodial symmetry breaking are considered, then at most six independent operators form a basis. One of them is the weak- θ term linked to non-perturbative sources of CP violation, while the others describe CP-odd perturbative couplings between the Standard Model gauge bosons and an Higgs-like scalar belonging to the Goldstone boson sector. The procedure is then applied to three distinct exemplifying frameworks: the original SU(5)/SO(5) Georgi-Kaplan model, the minimal custodial-preserving SO(5)/SO(4) model and the minimal SU(3)/(SU(2) × U(1)) model, which intrinsically breaks custodial symmetry. Moreover, the projection of the high-energy electroweak effective theory to the low-energy chiral effective Lagrangian for a dynamical Higgs is performed, uncovering strong relations between the operator coefficients and pinpointing the differences with the elementary Higgs scenario.

Quantification of errors induced by temporal resolution on Lagrangian particles in an eddy-resolving model

NASA Astrophysics Data System (ADS)

Qin, Xuerong; van Sebille, Erik; Sen Gupta, Alexander

2014-04-01

Lagrangian particle tracking within ocean models is an important tool for the examination of ocean circulation, ventilation timescales and connectivity and is increasingly being used to understand ocean biogeochemistry. Lagrangian trajectories are obtained by advecting particles within velocity fields derived from hydrodynamic ocean models. For studies of ocean flows on scales ranging from mesoscale up to basin scales, the temporal resolution of the velocity fields should ideally not be more than a few days to capture the high frequency variability that is inherent in mesoscale features. However, in reality, the model output is often archived at much lower temporal resolutions. Here, we quantify the differences in the Lagrangian particle trajectories embedded in velocity fields of varying temporal resolution. Particles are advected from 3-day to 30-day averaged fields in a high-resolution global ocean circulation model. We also investigate whether adding lateral diffusion to the particle movement can compensate for the reduced temporal resolution. Trajectory errors reveal the expected degradation of accuracy in the trajectory positions when decreasing the temporal resolution of the velocity field. Divergence timescales associated with averaging velocity fields up to 30 days are faster than the intrinsic dispersion of the velocity fields but slower than the dispersion caused by the interannual variability of the velocity fields. In experiments focusing on the connectivity along major currents, including western boundary currents, the volume transport carried between two strategically placed sections tends to increase with increased temporal averaging. Simultaneously, the average travel times tend to decrease. Based on these two bulk measured diagnostics, Lagrangian experiments that use temporal averaging of up to nine days show no significant degradation in the flow characteristics for a set of six currents investigated in more detail. The addition of random

Scale-dependent behavior of scale equations.

PubMed

Kim, Pilwon

2009-09-01

We propose a new mathematical framework to formulate scale structures of general systems. Stack equations characterize a system in terms of accumulative scales. Their behavior at each scale level is determined independently without referring to other levels. Most standard geometries in mathematics can be reformulated in such stack equations. By involving interaction between scales, we generalize stack equations into scale equations. Scale equations are capable to accommodate various behaviors at different scale levels into one integrated solution. On contrary to standard geometries, such solutions often reveal eccentric scale-dependent figures, providing a clue to understand multiscale nature of the real world. Especially, it is suggested that the Gaussian noise stems from nonlinear scale interactions.

High performance computing aspects of a dimension independent semi-Lagrangian discontinuous Galerkin code

NASA Astrophysics Data System (ADS)

Einkemmer, Lukas

2016-05-01

The recently developed semi-Lagrangian discontinuous Galerkin approach is used to discretize hyperbolic partial differential equations (usually first order equations). Since these methods are conservative, local in space, and able to limit numerical diffusion, they are considered a promising alternative to more traditional semi-Lagrangian schemes (which are usually based on polynomial or spline interpolation). In this paper, we consider a parallel implementation of a semi-Lagrangian discontinuous Galerkin method for distributed memory systems (so-called clusters). Both strong and weak scaling studies are performed on the Vienna Scientific Cluster 2 (VSC-2). In the case of weak scaling we observe a parallel efficiency above 0.8 for both two and four dimensional problems and up to 8192 cores. Strong scaling results show good scalability to at least 512 cores (we consider problems that can be run on a single processor in reasonable time). In addition, we study the scaling of a two dimensional Vlasov-Poisson solver that is implemented using the framework provided. All of the simulations are conducted in the context of worst case communication overhead; i.e., in a setting where the CFL (Courant-Friedrichs-Lewy) number increases linearly with the problem size. The framework introduced in this paper facilitates a dimension independent implementation of scientific codes (based on C++ templates) using both an MPI and a hybrid approach to parallelization. We describe the essential ingredients of our implementation.

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.

Lagrangian formulation of irreversible thermodynamics and the second law of thermodynamics

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

Glavatskiy, K. S.

We show that the equations which describe irreversible evolution of a system can be derived from a variational principle. We suggest a Lagrangian, which depends on the properties of the normal and the so-called “mirror-image” system. The Lagrangian is symmetric in time and therefore compatible with microscopic reversibility. The evolution equations in the normal and mirror-imaged systems are decoupled and describe therefore independent irreversible evolution of each of the systems. The second law of thermodynamics follows from a symmetry of the Lagrangian. Entropy increase in the normal system is balanced by the entropy decrease in the mirror-image system, such thatmore » there exists an “integral of evolution” which is a constant. The derivation relies on the property of local equilibrium, which states that the local relations between the thermodynamic quantities in non-equilibrium are the same as in equilibrium.« less

Lagrangian Statistics of Slightly Buoyant Droplets in Isotropic Turbulence

NASA Astrophysics Data System (ADS)

Gopalan, Balaji; Malkiel, Edwin; Katz, Joseph

2006-11-01

This project examines the dynamics of slightly buoyant diesel droplets in isotropic turbulence using high speed in-line digital Holographic PIV. A cloud of droplets with specific gravity of 0.85 is injected into the central portion of an isotropic turbulence facility. The droplet trajectories are measured in a 50x50x50 mm̂3 sample volume using high speed in-line digital holography. An automated program has been developed to obtain accurate time history of droplet velocities. Data analysis determines the PDF of velocity and acceleration in three dimensions. The time histories enable us to calculate the three dimensional Lagrangian velocity autocorrelation function, and from them the diffusion coefficients. Due to buoyancy the vertical diffusion time scale exceeds the horizontal one by about 65% .The diffusion coefficients vary between 2.8 cm̂2/sec in the horizontal direction to 5.5 cm̂2/sec in the vertical direction. For droplets with size varying from 2 to 11 Kolmogorov scales there are no clear trends with size. The variations of diffusion rates for different turbulent intensities and the effect of finite window size are presently examined. For shorter time scales, when the diffusion need not be Fickian the three dimensional trajectories can be used to calculate the generalized dispersion tensor and measure the time elapsed for diffusion to become Fickian.

Lagrangian postprocessing of computational hemodynamics.

PubMed

Shadden, Shawn C; Arzani, Amirhossein

2015-01-01

Recent advances in imaging, modeling, and computing have rapidly expanded our capabilities to model hemodynamics in the large vessels (heart, arteries, and veins). This data encodes a wealth of information that is often under-utilized. Modeling (and measuring) blood flow in the large vessels typically amounts to solving for the time-varying velocity field in a region of interest. Flow in the heart and larger arteries is often complex, and velocity field data provides a starting point for investigating the hemodynamics. This data can be used to perform Lagrangian particle tracking, and other Lagrangian-based postprocessing. As described herein, Lagrangian methods are necessary to understand inherently transient hemodynamic conditions from the fluid mechanics perspective, and to properly understand the biomechanical factors that lead to acute and gradual changes of vascular function and health. The goal of the present paper is to review Lagrangian methods that have been used in post-processing velocity data of cardiovascular flows.

Lagrangian postprocessing of computational hemodynamics

PubMed Central

Shadden, Shawn C.; Arzani, Amirhossein

2014-01-01

Recent advances in imaging, modeling and computing have rapidly expanded our capabilities to model hemodynamics in the large vessels (heart, arteries and veins). This data encodes a wealth of information that is often under-utilized. Modeling (and measuring) blood flow in the large vessels typically amounts to solving for the time-varying velocity field in a region of interest. Flow in the heart and larger arteries is often complex, and velocity field data provides a starting point for investigating the hemodynamics. This data can be used to perform Lagrangian particle tracking, and other Lagrangian-based postprocessing. As described herein, Lagrangian methods are necessary to understand inherently transient hemodynamic conditions from the fluid mechanics perspective, and to properly understand the biomechanical factors that lead to acute and gradual changes of vascular function and health. The goal of the present paper is to review Lagrangian methods that have been used in post-processing velocity data of cardiovascular flows. PMID:25059889

Nonlinear dynamics of steep surface waves as derived from a Lagrangian

NASA Astrophysics Data System (ADS)

Longuet-Higgins, Michael

1999-11-01

A simple and natural method for calculating the deformation of surface gravity waves on deep water was recently formulated by A.M. Balk (1996). The equations of motion are derived from a Lagrangian (T-V) where T and V are the kinetic and potential energies, expressed in terms of the Fourier coefficients a_n(t) of the motion in an auxiliary half-space. The method has certain advantages over the more usual Hamiltonian equations: (1) The expressions for T and V are of finite order N <= 4 in the Fourier coefficients a_n(t) and their rates of change dota(t); (2) the constants in these expressions are low integers, mainly ± 1 or 0; (3) breaking or overturning waves are described by single-valued functions of a parameter. The analysis leads to dynamical equations for än of the form sumj P_ij äj = Qi (a, ; dota) (P_ij and Qi being polynomials of low degree in the coefficients a_n) which can in general be solved to allow time-stepping to proceed. Conveniently, the determinant Δ of P_ij is found to factorise. Some examples will be discussed, particularly the case of standing waves, when the coefficients a_n(t) are all real. The phenomena of ``flip through'' and jet formation are of special interest.

a Marker-Based Eulerian-Lagrangian Method for Multiphase Flow with Supersonic Combustion Applications

NASA Astrophysics Data System (ADS)

Fan, Xiaofeng; Wang, Jiangfeng

2016-06-01

The atomization of liquid fuel is a kind of intricate dynamic process from continuous phase to discrete phase. Procedures of fuel spray in supersonic flow are modeled with an Eulerian-Lagrangian computational fluid dynamics methodology. The method combines two distinct techniques and develops an integrated numerical simulation method to simulate the atomization processes. The traditional finite volume method based on stationary (Eulerian) Cartesian grid is used to resolve the flow field, and multi-component Navier-Stokes equations are adopted in present work, with accounting for the mass exchange and heat transfer occupied by vaporization process. The marker-based moving (Lagrangian) grid is utilized to depict the behavior of atomized liquid sprays injected into a gaseous environment, and discrete droplet model 13 is adopted. To verify the current approach, the proposed method is applied to simulate processes of liquid atomization in supersonic cross flow. Three classic breakup models, TAB model, wave model and K-H/R-T hybrid model, are discussed. The numerical results are compared with multiple perspectives quantitatively, including spray penetration height and droplet size distribution. In addition, the complex flow field structures induced by the presence of liquid spray are illustrated and discussed. It is validated that the maker-based Eulerian-Lagrangian method is effective and reliable.

Comparing Lagrangian and Eulerian models for CO2 transport - a step towards Bayesian inverse modeling using WRF/STILT-VPRM

NASA Astrophysics Data System (ADS)

Pillai, D.; Gerbig, C.; Kretschmer, R.; Beck, V.; Karstens, U.; Neininger, B.; Heimann, M.

2012-10-01

We present simulations of atmospheric CO2 concentrations provided by two modeling systems, run at high spatial resolution: the Eulerian-based Weather Research Forecasting (WRF) model and the Lagrangian-based Stochastic Time-Inverted Lagrangian Transport (STILT) model, both of which are coupled to a diagnostic biospheric model, the Vegetation Photosynthesis and Respiration Model (VPRM). The consistency of the simulations is assessed with special attention paid to the details of horizontal as well as vertical transport and mixing of CO2 concentrations in the atmosphere. The dependence of model mismatch (Eulerian vs. Lagrangian) on models' spatial resolution is further investigated. A case study using airborne measurements during which two models showed large deviations from each other is analyzed in detail as an extreme case. Using aircraft observations and pulse release simulations, we identified differences in the representation of details in the interaction between turbulent mixing and advection through wind shear as the main cause of discrepancies between WRF and STILT transport at a spatial resolution such as 2 and 6 km. Based on observations and inter-model comparisons of atmospheric CO2 concentrations, we show that a refinement of the parameterization of turbulent velocity variance and Lagrangian time-scale in STILT is needed to achieve a better match between the Eulerian and the Lagrangian transport at such a high spatial resolution (e.g. 2 and 6 km). Nevertheless, the inter-model differences in simulated CO2 time series for a tall tower observatory at Ochsenkopf in Germany are about a factor of two smaller than the model-data mismatch and about a factor of three smaller than the mismatch between the current global model simulations and the data.

Predicting viscous-range velocity gradient dynamics in large-eddy simulations of turbulence

NASA Astrophysics Data System (ADS)

Johnson, Perry; Meneveau, Charles

2017-11-01

The details of small-scale turbulence are not directly accessible in large-eddy simulations (LES), posing a modeling challenge because many important micro-physical processes depend strongly on the dynamics of turbulence in the viscous range. Here, we introduce a method for coupling existing stochastic models for the Lagrangian evolution of the velocity gradient tensor with LES to simulate unresolved dynamics. The proposed approach is implemented in LES of turbulent channel flow and detailed comparisons with DNS are carried out. An application to modeling the fate of deformable, small (sub-Kolmogorov) droplets at negligible Stokes number and low volume fraction with one-way coupling is carried out. These results illustrate the ability of the proposed model to predict the influence of small scale turbulence on droplet micro-physics in the context of LES. This research was made possible by a graduate Fellowship from the National Science Foundation and by a Grant from The Gulf of Mexico Research Initiative.

Nonconservative Lagrangian Mechanics: Purely Causal Equations of Motion

NASA Astrophysics Data System (ADS)

Dreisigmeyer, David W.; Young, Peter M.

2015-06-01

This work builds on the Volterra series formalism presented in Dreisigmeyer and Young (J Phys A 36: 8297, 2003) to model nonconservative systems. Here we treat Lagrangians and actions as `time dependent' Volterra series. We present a new family of kernels to be used in these Volterra series that allow us to derive a single retarded equation of motion using a variational principle.

A Parallel, Multi-Scale Watershed-Hydrologic-Inundation Model with Adaptively Switching Mesh for Capturing Flooding and Lake Dynamics

NASA Astrophysics Data System (ADS)

Ji, X.; Shen, C.

2017-12-01

Flood inundation presents substantial societal hazards and also changes biogeochemistry for systems like the Amazon. It is often expensive to simulate high-resolution flood inundation and propagation in a long-term watershed-scale model. Due to the Courant-Friedrichs-Lewy (CFL) restriction, high resolution and large local flow velocity both demand prohibitively small time steps even for parallel codes. Here we develop a parallel surface-subsurface process-based model enhanced by multi-resolution meshes that are adaptively switched on or off. The high-resolution overland flow meshes are enabled only when the flood wave invades to floodplains. This model applies semi-implicit, semi-Lagrangian (SISL) scheme in solving dynamic wave equations, and with the assistant of the multi-mesh method, it also adaptively chooses the dynamic wave equation only in the area of deep inundation. Therefore, the model achieves a balance between accuracy and computational cost.

A Lagrangian Analysis of a Developing and Non-Developing Disturbance Observed During the PREDICT Experiment

DTIC Science & Technology

2012-12-03

paper provides an introduction of Lagrangian techniques for locating flow boundaries that encompass regions of recirculation in time- dependent flows...the low- to mid- level embryonic vortex from adverse conditions, while the 1The glossary on NOAA’s Hurricane Research Division’s web - site uses...wave or disturbance. This paper provides an introduction of Lagrangian techniques for locating flow boundaries that encompass regions of recirculation

Stochastic modeling of Lagrangian accelerations

NASA Astrophysics Data System (ADS)

Reynolds, Andy

2002-11-01

It is shown how Sawford's second-order Lagrangian stochastic model (Phys. Fluids A 3, 1577-1586, 1991) for fluid-particle accelerations can be combined with a model for the evolution of the dissipation rate (Pope and Chen, Phys. Fluids A 2, 1437-1449, 1990) to produce a Lagrangian stochastic model that is consistent with both the measured distribution of Lagrangian accelerations (La Porta et al., Nature 409, 1017-1019, 2001) and Kolmogorov's similarity theory. The later condition is found not to be satisfied when a constant dissipation rate is employed and consistency with prescribed acceleration statistics is enforced through fulfilment of a well-mixed condition.

Multi-scale simulations of droplets in generic time-dependent flows

NASA Astrophysics Data System (ADS)

Milan, Felix; Biferale, Luca; Sbragaglia, Mauro; Toschi, Federico

2017-11-01

We study the deformation and dynamics of droplets in time-dependent flows using a diffuse interface model for two immiscible fluids. The numerical simulations are at first benchmarked against analytical results of steady droplet deformation, and further extended to the more interesting case of time-dependent flows. The results of these time-dependent numerical simulations are compared against analytical models available in the literature, which assume the droplet shape to be an ellipsoid at all times, with time-dependent major and minor axis. In particular we investigate the time-dependent deformation of a confined droplet in an oscillating Couette flow for the entire capillary range until droplet break-up. In this way these multi component simulations prove to be a useful tool to establish from ``first principles'' the dynamics of droplets in complex flows involving multiple scales. European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No 642069. & European Research Council under the European Community's Seventh Framework Program, ERC Grant Agreement No 339032.

Recursive Factorization of the Inverse Overlap Matrix in Linear-Scaling Quantum Molecular Dynamics Simulations.

PubMed

Negre, Christian F A; Mniszewski, Susan M; Cawkwell, Marc J; Bock, Nicolas; Wall, Michael E; Niklasson, Anders M N

2016-07-12

We present a reduced complexity algorithm to compute the inverse overlap factors required to solve the generalized eigenvalue problem in a quantum-based molecular dynamics (MD) simulation. Our method is based on the recursive, iterative refinement of an initial guess of Z (inverse square root of the overlap matrix S). The initial guess of Z is obtained beforehand by using either an approximate divide-and-conquer technique or dynamical methods, propagated within an extended Lagrangian dynamics from previous MD time steps. With this formulation, we achieve long-term stability and energy conservation even under the incomplete, approximate, iterative refinement of Z. Linear-scaling performance is obtained using numerically thresholded sparse matrix algebra based on the ELLPACK-R sparse matrix data format, which also enables efficient shared-memory parallelization. As we show in this article using self-consistent density-functional-based tight-binding MD, our approach is faster than conventional methods based on the diagonalization of overlap matrix S for systems as small as a few hundred atoms, substantially accelerating quantum-based simulations even for molecular structures of intermediate size. For a 4158-atom water-solvated polyalanine system, we find an average speedup factor of 122 for the computation of Z in each MD step.

Recursive Factorization of the Inverse Overlap Matrix in Linear Scaling Quantum Molecular Dynamics Simulations

DOE PAGES

Negre, Christian F. A; Mniszewski, Susan M.; Cawkwell, Marc Jon; ...

2016-06-06

We present a reduced complexity algorithm to compute the inverse overlap factors required to solve the generalized eigenvalue problem in a quantum-based molecular dynamics (MD) simulation. Our method is based on the recursive iterative re nement of an initial guess Z of the inverse overlap matrix S. The initial guess of Z is obtained beforehand either by using an approximate divide and conquer technique or dynamically, propagated within an extended Lagrangian dynamics from previous MD time steps. With this formulation, we achieve long-term stability and energy conservation even under incomplete approximate iterative re nement of Z. Linear scaling performance ismore » obtained using numerically thresholded sparse matrix algebra based on the ELLPACK-R sparse matrix data format, which also enables e cient shared memory parallelization. As we show in this article using selfconsistent density functional based tight-binding MD, our approach is faster than conventional methods based on the direct diagonalization of the overlap matrix S for systems as small as a few hundred atoms, substantially accelerating quantum-based simulations even for molecular structures of intermediate size. For a 4,158 atom water-solvated polyalanine system we nd an average speedup factor of 122 for the computation of Z in each MD step.« less

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.

Arbitrary Lagrangian-Eulerian Method with Local Structured Adaptive Mesh Refinement for Modeling Shock Hydrodynamics

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

Anderson, R W; Pember, R B; Elliott, N S

2001-10-22

A new method that combines staggered grid Arbitrary Lagrangian-Eulerian (ALE) techniques with structured local adaptive mesh refinement (AMR) has been developed for solution of the Euler equations. This method facilitates the solution of problems currently at and beyond the boundary of soluble problems by traditional ALE methods by focusing computational resources where they are required through dynamic adaption. Many of the core issues involved in the development of the combined ALEAMR method hinge upon the integration of AMR with a staggered grid Lagrangian integration method. The novel components of the method are mainly driven by the need to reconcile traditionalmore » AMR techniques, which are typically employed on stationary meshes with cell-centered quantities, with the staggered grids and grid motion employed by Lagrangian methods. Numerical examples are presented which demonstrate the accuracy and efficiency of the method.« less

Alternative kinetic energy metrics for Lagrangian systems

NASA Astrophysics Data System (ADS)

Sarlet, W.; Prince, G.

2010-11-01

We examine Lagrangian systems on \\ {R}^n with standard kinetic energy terms for the possibility of additional, alternative Lagrangians with kinetic energy metrics different to the Euclidean one. Using the techniques of the inverse problem in the calculus of variations we find necessary and sufficient conditions for the existence of such Lagrangians. We illustrate the problem in two and three dimensions with quadratic and cubic potentials. As an aside we show that the well-known anomalous Lagrangians for the Coulomb problem can be removed by switching on a magnetic field, providing an appealing resolution of the ambiguous quantizations of the hydrogen atom.

Geometric Lagrangian approach to the physical degree of freedom count in field theory

NASA Astrophysics Data System (ADS)

Díaz, Bogar; Montesinos, Merced

2018-05-01

To circumvent some technical difficulties faced by the geometric Lagrangian approach to the physical degree of freedom count presented in the work of Díaz, Higuita, and Montesinos [J. Math. Phys. 55, 122901 (2014)] that prevent its direct implementation to field theory, in this paper, we slightly modify the geometric Lagrangian approach in such a way that its resulting version works perfectly for field theory (and for particle systems, of course). As in previous work, the current approach also allows us to directly get the Lagrangian constraints, a new Lagrangian formula for the counting of the number of physical degrees of freedom, the gauge transformations, and the number of first- and second-class constraints for any action principle based on a Lagrangian depending on the fields and their first derivatives without performing any Dirac's canonical analysis. An advantage of this approach over the previous work is that it also allows us to handle the reducibility of the constraints and to get the off-shell gauge transformations. The theoretical framework is illustrated in 3-dimensional generalized general relativity (Palatini and Witten's exotic actions), Chern-Simons theory, 4-dimensional BF theory, and 4-dimensional general relativity given by Palatini's action with a cosmological constant.

An extended Lagrangian method

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing

1992-01-01

A unique formulation of describing fluid motion is presented. The method, referred to as 'extended Lagrangian method', is interesting from both theoretical and numerical points of view. The formulation offers accuracy in numerical solution by avoiding numerical diffusion resulting from mixing of fluxes in the Eulerian description. Meanwhile, it also avoids the inaccuracy incurred due to geometry and variable interpolations used by the previous Lagrangian methods. Unlike the Lagrangian method previously imposed which is valid only for supersonic flows, the present method is general and capable of treating subsonic flows as well as supersonic flows. The method proposed in this paper is robust and stable. It automatically adapts to flow features without resorting to clustering, thereby maintaining rather uniform grid spacing throughout and large time step. Moreover, the method is shown to resolve multi-dimensional discontinuities with a high level of accuracy, similar to that found in one-dimensional problems.

Parcels v0.9: prototyping a Lagrangian ocean analysis framework for the petascale age

NASA Astrophysics Data System (ADS)

Lange, Michael; van Sebille, Erik

2017-11-01

As ocean general circulation models (OGCMs) move into the petascale age, where the output of single simulations exceeds petabytes of storage space, tools to analyse the output of these models will need to scale up too. Lagrangian ocean analysis, where virtual particles are tracked through hydrodynamic fields, is an increasingly popular way to analyse OGCM output, by mapping pathways and connectivity of biotic and abiotic particulates. However, the current software stack of Lagrangian ocean analysis codes is not dynamic enough to cope with the increasing complexity, scale and need for customization of use-cases. Furthermore, most community codes are developed for stand-alone use, making it a nontrivial task to integrate virtual particles at runtime of the OGCM. Here, we introduce the new Parcels code, which was designed from the ground up to be sufficiently scalable to cope with petascale computing. We highlight its API design that combines flexibility and customization with the ability to optimize for HPC workflows, following the paradigm of domain-specific languages. Parcels is primarily written in Python, utilizing the wide range of tools available in the scientific Python ecosystem, while generating low-level C code and using just-in-time compilation for performance-critical computation. We show a worked-out example of its API, and validate the accuracy of the code against seven idealized test cases. This version 0.9 of Parcels is focused on laying out the API, with future work concentrating on support for curvilinear grids, optimization, efficiency and at-runtime coupling with OGCMs.

Scale dependant compensational stacking of channelized sedimentary deposits

NASA Astrophysics Data System (ADS)

Wang, Y.; Straub, K. M.; Hajek, E. A.

2010-12-01

Compensational stacking, the tendency for sediment transport system to preferentially fill topographic lows, thus smoothing out topographic relief is a concept used in the interpretation of the stratigraphic record. Recently, a metric was developed to quantify the strength of compensation in sedimentary basins by comparing observed stacking patterns to what would be expected from simple, uncorrelated stacking. This method uses the rate of decay of spatial variability in sedimentation between picked depositional horizons with increasing vertical stratigraphic averaging distance. We explore how this metric varies as a function of stratigraphic scale using data from physical experiments, stratigraphy exposed in outcrops and numerical models. In an experiment conducted at Tulane University’s Sediment Dynamics Laboratory, the topography of a channelized delta formed by weakly cohesive sediment was monitored along flow-perpendicular transects at a high temporal resolution relative to channel kinematics. Over the course of this experiment a uniform relative subsidence pattern, designed to isolate autogenic processes, resulted in the construction of a stratigraphic package that is 25 times as thick as the depth of the experimental channels. We observe a scale-dependence on the compensational stacking of deposits set by the system’s avulsion time-scale. Above the avulsion time-scale deposits stack purely compensationally, but below this time-scale deposits stack somewhere between randomly and deterministically. The well-exposed Ferris Formation (Cretaceous/Paleogene, Hanna Basin, Wyoming, USA) also shows scale-dependant stratigraphic organization which appears to be set by an avulsion time-scale. Finally, we utilize simple object-based models to illustrate how channel avulsions influence compensation in alluvial basins.

Dynamic correlations at different time-scales with empirical mode decomposition

NASA Astrophysics Data System (ADS)

Nava, Noemi; Di Matteo, T.; Aste, Tomaso

2018-07-01

We introduce a simple approach which combines Empirical Mode Decomposition (EMD) and Pearson's cross-correlations over rolling windows to quantify dynamic dependency at different time scales. The EMD is a tool to separate time series into implicit components which oscillate at different time-scales. We apply this decomposition to intraday time series of the following three financial indices: the S&P 500 (USA), the IPC (Mexico) and the VIX (volatility index USA), obtaining time-varying multidimensional cross-correlations at different time-scales. The correlations computed over a rolling window are compared across the three indices, across the components at different time-scales and across different time lags. We uncover a rich heterogeneity of interactions, which depends on the time-scale and has important lead-lag relations that could have practical use for portfolio management, risk estimation and investment decisions.

Target Lagrangian kinematic simulation for particle-laden flows.

PubMed

Murray, S; Lightstone, M F; Tullis, S

2016-09-01

The target Lagrangian kinematic simulation method was motivated as a stochastic Lagrangian particle model that better synthesizes turbulence structure, relative to stochastic separated flow models. By this method, the trajectories of particles are constructed according to synthetic turbulent-like fields, which conform to a target Lagrangian integral timescale. In addition to recovering the expected Lagrangian properties of fluid tracers, this method is shown to reproduce the crossing trajectories and continuity effects, in agreement with an experimental benchmark.

Diagnosing isopycnal diffusivity in an eddying, idealized midlatitude ocean basin via Lagrangian, in Situ, Global, High-Performance Particle Tracking (LIGHT)

DOE PAGES

Wolfram, Phillip J.; Ringler, Todd D.; Maltrud, Mathew E.; ...

2015-08-01

Isopycnal diffusivity due to stirring by mesoscale eddies in an idealized, wind-forced, eddying, midlatitude ocean basin is computed using Lagrangian, in Situ, Global, High-Performance Particle Tracking (LIGHT). Simulation is performed via LIGHT within the Model for Prediction across Scales Ocean (MPAS-O). Simulations are performed at 4-, 8-, 16-, and 32-km resolution, where the first Rossby radius of deformation (RRD) is approximately 30 km. Scalar and tensor diffusivities are estimated at each resolution based on 30 ensemble members using particle cluster statistics. Each ensemble member is composed of 303 665 particles distributed across five potential density surfaces. Diffusivity dependence upon modelmore » resolution, velocity spatial scale, and buoyancy surface is quantified and compared with mixing length theory. The spatial structure of diffusivity ranges over approximately two orders of magnitude with values of O(10 5) m 2 s –1 in the region of western boundary current separation to O(10 3) m 2 s –1 in the eastern region of the basin. Dominant mixing occurs at scales twice the size of the first RRD. Model resolution at scales finer than the RRD is necessary to obtain sufficient model fidelity at scales between one and four RRD to accurately represent mixing. Mixing length scaling with eddy kinetic energy and the Lagrangian time scale yield mixing efficiencies that typically range between 0.4 and 0.8. In conclusion, a reduced mixing length in the eastern region of the domain relative to the west suggests there are different mixing regimes outside the baroclinic jet region.« less

Lagrangian-averaged model for magnetohydrodynamic turbulence and the absence of bottlenecks.

PubMed

Pietarila Graham, Jonathan; Mininni, Pablo D; Pouquet, Annick

2009-07-01

We demonstrate that, for the case of quasiequipartition between the velocity and the magnetic field, the Lagrangian-averaged magnetohydrodynamics (LAMHD) alpha model reproduces well both the large-scale and the small-scale properties of turbulent flows; in particular, it displays no increased (superfilter) bottleneck effect with its ensuing enhanced energy spectrum at the onset of the subfilter scales. This is in contrast to the case of the neutral fluid in which the Lagrangian-averaged Navier-Stokes alpha model is somewhat limited in its applications because of the formation of spatial regions with no internal degrees of freedom and subsequent contamination of superfilter-scale spectral properties. We argue that, as the Lorentz force breaks the conservation of circulation and enables spectrally nonlocal energy transfer (associated with Alfvén waves), it is responsible for the absence of a viscous bottleneck in magnetohydrodynamics (MHD), as compared to the fluid case. As LAMHD preserves Alfvén waves and the circulation properties of MHD, there is also no (superfilter) bottleneck found in LAMHD, making this method capable of large reductions in required numerical degrees of freedom; specifically, we find a reduction factor of approximately 200 when compared to a direct numerical simulation on a large grid of 1536;{3} points at the same Reynolds number.

Lagrangian numerical methods for ocean biogeochemical simulations

NASA Astrophysics Data System (ADS)

Paparella, Francesco; Popolizio, Marina

2018-05-01

We propose two closely-related Lagrangian numerical methods for the simulation of physical processes involving advection, reaction and diffusion. The methods are intended to be used in settings where the flow is nearly incompressible and the Péclet numbers are so high that resolving all the scales of motion is unfeasible. This is commonplace in ocean flows. Our methods consist in augmenting the method of characteristics, which is suitable for advection-reaction problems, with couplings among nearby particles, producing fluxes that mimic diffusion, or unresolved small-scale transport. The methods conserve mass, obey the maximum principle, and allow to tune the strength of the diffusive terms down to zero, while avoiding unwanted numerical dissipation effects.

Lagrangian Flow Network: a new tool to evaluate connectivity and understand the structural complexity of marine populations

NASA Astrophysics Data System (ADS)

Rossi, V.; Dubois, M.; Ser-Giacomi, E.; Monroy, P.; Lopez, C.; Hernandez-Garcia, E.

2016-02-01

Assessing the spatial structure and dynamics of marine populations is still a major challenge for ecologists. The necessity to manage marine resources from a large-scale perspective and considering the whole ecosystem is now recognized but the absence of appropriate tools to address these objectives limits the implementation of globally pertinent conservation planning. Inspired from Network Theory, we present a new methodological framework called Lagrangian Flow Network which allows a systematic characterization of multi-scale dispersal and connectivity of early life history stages of marine organisms. The network is constructed by subdividing the basin into an ensemble of equal-area subregions which are interconnected through the transport of propagules by ocean currents. The present version allows the identification of hydrodynamical provinces and the computation of various connectivity proxies measuring retention and exchange of larvae. Due to our spatial discretization and subsequent network representation, as well as our Lagrangian approach, further methodological improvements are handily accessible. These future developments include a parametrization of habitat patchiness, the implementation of realistic larval traits and the consideration of abiotic variables (e.g. temperature, salinity, planktonic resources...) and their effects on larval production and survival. While the model is potentially tunable to any species whose biological traits and ecological preferences are precisely known, it can also be used in a more generic configuration by efficient computing and analysis of a large number of experiments with relevant ecological parameters. It permits a better characterization of population connectivity at multiple scales and it informs its ecological and managerial interpretations.

Sensitivity Analysis of a Lagrangian Sea Ice Model

NASA Astrophysics Data System (ADS)

Rabatel, Matthias; Rampal, Pierre; Bertino, Laurent; Carrassi, Alberto; Jones, Christopher K. R. T.

2017-04-01

Large changes in the Arctic sea ice have been observed in the last decades in terms of the ice thickness, extension and drift. Understanding the mechanisms behind these changes is of paramount importance to enhance our modeling and forecasting capabilities. For 40 years, models have been developed to describe the non-linear dynamical response of the sea ice to a number of external and internal factors. Nevertheless, there still exists large deviations between predictions and observations. There are related to incorrect descriptions of the sea ice response and/or to the uncertainties about the different sources of information: parameters, initial and boundary conditions and external forcing. Data assimilation (DA) methods are used to combine observations with models, and there is nowadays an increasing interest of DA for sea-ice models and observations. We consider here the state-of-the art sea-ice model, neXtSIM te{Rampal2016a}, which is based on a time-varying Lagrangian mesh and makes use of the Elasto-Brittle rheology. Our ultimate goal is designing appropriate DA scheme for such a modelling facility. This contribution reports about the first milestone along this line: a sensitivity analysis in order to quantify forecast error to guide model development and to set basis for further Lagrangian DA methods. Specific features of the sea-ice dynamics in relation to the wind are thus analysed. Virtual buoys are deployed across the Arctic domain and their trajectories of motion are analysed. The simulated trajectories are also compared to real buoys trajectories observed. The model response is also compared with that one from a model version not including internal forcing to highlight the role of the rheology. Conclusions and perspectives for the general DA implementation are also discussed. \\bibitem{Rampal2016a} P. Rampal, S. Bouillon, E. Ólason, and M. Morlighem. ne{X}t{SIM}: a new {L}agrangian sea ice model. The Cryosphere, 10 (3): 1055-1073, 2016.

Comparing Lagrangian and Eulerian models for CO2 transport - a step towards Bayesian inverse modeling using WRF/STILT-VPRM

NASA Astrophysics Data System (ADS)

Pillai, D.; Gerbig, C.; Kretschmer, R.; Beck, V.; Karstens, U.; Neininger, B.; Heimann, M.

2012-01-01

We present simulations of atmospheric CO2 concentrations provided by two modeling systems, run at high spatial resolution: the Eulerian-based Weather Research Forecasting (WRF) model and the Lagrangian-based Stochastic Time-Inverted Lagrangian Transport (STILT) model, both of which are coupled to a diagnostic biospheric model, the Vegetation Photosynthesis and Respiration Model (VPRM). The consistency of the simulations is assessed with special attention paid to the details of horizontal as well as vertical transport and mixing of CO2 concentrations in the atmosphere. The dependence of model mismatch (Eulerian vs. Lagrangian) on models' spatial resolution is further investigated. A case study using airborne measurements during which both models showed large deviations from each other is analyzed in detail as an extreme case. Using aircraft observations and pulse release simulations, we identified differences in the representation of details in the interaction between turbulent mixing and advection through wind shear as the main cause of discrepancies between WRF and STILT transport at a spatial resolution such as 2 and 6 km. Based on observations and inter-model comparisons of atmospheric CO2 concentrations, we show that a refinement of the parameterization of turbulent velocity variance and Lagrangian time-scale in STILT is needed to achieve a better match between the Eulerian and the Lagrangian transport at such a high spatial resolution (e.g. 2 and 6 km). Nevertheless, the inter-model differences in simulated CO2 time series for a tall tower observatory at Ochsenkopf in Germany are about a factor of two smaller than the model-data mismatch and about a factor of three smaller than the mismatch between the current global model simulations and the data. Thus suggests that it is reasonable to use STILT as an adjoint model of WRF atmospheric transport.

Palaeoclimate dynamics : a voyage through scales

NASA Astrophysics Data System (ADS)

Crucifix, Michel; Mitsui, Takahito

2015-04-01

Our knowledge of climate dynamics depends on indirect observations of past climate evolution, as well as on what can be inferred from theoretical arguments. At the scale of the Cenozoic, it is common to define a framework of nested time scales, the longest time scale of interest being related to the slow tectonic evolution, then variability associated with or controlled by the astronomical forcing, and finally the fastest dynamics associated with the natural modes of variability of the ocean and the atmosphere. For example, in a model, the astronomical modes of variability may be simulated with deterministic equations under fixed boundary conditions representing the tectonic state, and associated with stochastic parameterisations of the ocean-atmosphere (chaotic) modes of motion. Bifurcations or, more generally, qualitative changes in climate dynamics may be scanned by changing slowly the tectonic state, in order to provide explanations to observed changes in regimes such as the appearance of ice ages and their changes in length or amplitude. The above framework, largely theorized by B. Saltzman, may still be partly justified but is in need of a review. We address here specifically three questions: To what extent astronomical variability interacts with natural modes of ocean - atmosphere variability ? Specifically, how does millennial variability (e.g.: Dansgaard-Oeschger events) fit the Saltzman scheme ? The astronomical forcing is quasi-periodic, and we recently showed that it may produce somewhat counter-intuitive dynamics associated with the emergence of strange non-chaotic attractors. What are the consequences on the spectrum of climate variability ? What are the effects of centennial climate variability on the slow variability of climate ? These three questions are addressed by reference to recently published material, with the objective of emphasising research questions to be explored in the near future.

Communication: A simplified coupled-cluster Lagrangian for polarizable embedding.

PubMed

Krause, Katharina; Klopper, Wim

2016-01-28

A simplified coupled-cluster Lagrangian, which is linear in the Lagrangian multipliers, is proposed for the coupled-cluster treatment of a quantum mechanical system in a polarizable environment. In the simplified approach, the amplitude equations are decoupled from the Lagrangian multipliers and the energy obtained from the projected coupled-cluster equation corresponds to a stationary point of the Lagrangian.

Communication: A simplified coupled-cluster Lagrangian for polarizable embedding

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

Krause, Katharina; Klopper, Wim, E-mail: klopper@kit.edu

A simplified coupled-cluster Lagrangian, which is linear in the Lagrangian multipliers, is proposed for the coupled-cluster treatment of a quantum mechanical system in a polarizable environment. In the simplified approach, the amplitude equations are decoupled from the Lagrangian multipliers and the energy obtained from the projected coupled-cluster equation corresponds to a stationary point of the Lagrangian.

In Vivo Protein Dynamics on the Nanometer Length Scale and Nanosecond Time Scale

DOE PAGES

Anunciado, Divina B.; Nyugen, Vyncent P.; Hurst, Gregory B.; ...

2017-04-07

Selectively labeled GroEL protein was produced in living deuterated bacterial cells to enhance its neutron scattering signal above that of the intracellular milieu. Quasi-elastic neutron scattering shows that the in-cell diffusion coefficient of GroEL was (4.7 ± 0.3) × 10 –12 m 2/s, a factor of 4 slower than its diffusion coefficient in buffer solution. Furthermore, for internal protein dynamics we see a relaxation time of (65 ± 6) ps, a factor of 2 slower compared to the protein in solution. Comparison to the literature suggests that the effective diffusivity of proteins depends on the length and time scale beingmore » probed. Retardation of in-cell diffusion compared to the buffer becomes more significant with the increasing probe length scale, suggesting that intracellular diffusion of biomolecules is nonuniform over the cellular volume. This approach outlined here enables investigation of protein dynamics within living cells to open up new lines of research using “in-cell neutron scattering” to study the dynamics of complex biomolecular systems.« less

In Vivo Protein Dynamics on the Nanometer Length Scale and Nanosecond Time Scale

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

Anunciado, Divina B.; Nyugen, Vyncent P.; Hurst, Gregory B.

Selectively labeled GroEL protein was produced in living deuterated bacterial cells to enhance its neutron scattering signal above that of the intracellular milieu. Quasi-elastic neutron scattering shows that the in-cell diffusion coefficient of GroEL was (4.7 ± 0.3) × 10 –12 m 2/s, a factor of 4 slower than its diffusion coefficient in buffer solution. Furthermore, for internal protein dynamics we see a relaxation time of (65 ± 6) ps, a factor of 2 slower compared to the protein in solution. Comparison to the literature suggests that the effective diffusivity of proteins depends on the length and time scale beingmore » probed. Retardation of in-cell diffusion compared to the buffer becomes more significant with the increasing probe length scale, suggesting that intracellular diffusion of biomolecules is nonuniform over the cellular volume. This approach outlined here enables investigation of protein dynamics within living cells to open up new lines of research using “in-cell neutron scattering” to study the dynamics of complex biomolecular systems.« less

A Chiang-type lagrangian in CP^2

NASA Astrophysics Data System (ADS)

Cannas da Silva, Ana

2018-03-01

We analyse a monotone lagrangian in CP^2 that is hamiltonian isotopic to the standard lagrangian RP^2, yet exhibits a distinguishing behaviour under reduction by one of the toric circle actions, namely it intersects transversally the reduction level set and it projects one-to-one onto a great circle in CP^1. This lagrangian thus provides an example of embedded composition fitting work of Wehrheim-Woodward and Weinstein.

The Monotonic Lagrangian Grid for Fast Air-Traffic Evaluation

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia; Kaplan, Carolyn; Oran, Elaine; Boris, Jay

2010-01-01

This paper describes the continued development of a dynamic air-traffic model, ATMLG, intended for rapid evaluation of rules and methods to control and optimize transport systems. The underlying data structure is based on the Monotonic Lagrangian Grid (MLG), which is used for sorting and ordering positions and other data needed to describe N moving bodies, and their interactions. In ATMLG, the MLG is combined with algorithms for collision avoidance and updating aircraft trajectories. Aircraft that are close to each other in physical space are always near neighbors in the MLG data arrays, resulting in a fast nearest-neighbor interaction algorithm that scales as N. In this paper, we use ATMLG to examine how the ability to maintain a required separation between aircraft decreases as the number of aircraft in the volume increases. This requires keeping track of the primary and subsequent collision avoidance maneuvers necessary to maintain a five mile separation distance between all aircraft. Simulation results show that the number of collision avoidance moves increases exponentially with the number of aircraft in the volume.

Lagrangian particles with mixing. I. Simulating scalar transport

NASA Astrophysics Data System (ADS)

Klimenko, A. Y.

2009-06-01

The physical similarity and mathematical equivalence of continuous diffusion and particle random walk forms one of the cornerstones of modern physics and the theory of stochastic processes. The randomly walking particles do not need to posses any properties other than location in physical space. However, particles used in many models dealing with simulating turbulent transport and turbulent combustion do posses a set of scalar properties and mixing between particle properties is performed to reflect the dissipative nature of the diffusion processes. We show that the continuous scalar transport and diffusion can be accurately specified by means of localized mixing between randomly walking Lagrangian particles with scalar properties and assess errors associated with this scheme. Particles with scalar properties and localized mixing represent an alternative formulation for the process, which is selected to represent the continuous diffusion. Simulating diffusion by Lagrangian particles with mixing involves three main competing requirements: minimizing stochastic uncertainty, minimizing bias introduced by numerical diffusion, and preserving independence of particles. These requirements are analyzed for two limited cases of mixing between two particles and mixing between a large number of particles. The problem of possible dependences between particles is most complicated. This problem is analyzed using a coupled chain of equations that has similarities with Bogolubov-Born-Green-Kirkwood-Yvon chain in statistical physics. Dependences between particles can be significant in close proximity of the particles resulting in a reduced rate of mixing. This work develops further ideas introduced in the previously published letter [Phys. Fluids 19, 031702 (2007)]. Paper I of this work is followed by Paper II [Phys. Fluids 19, 065102 (2009)] where modeling of turbulent reacting flows by Lagrangian particles with localized mixing is specifically considered.

A Theoretical Framework for Lagrangian Descriptors

NASA Astrophysics Data System (ADS)

Lopesino, C.; Balibrea-Iniesta, F.; García-Garrido, V. J.; Wiggins, S.; Mancho, A. M.

This paper provides a theoretical background for Lagrangian Descriptors (LDs). The goal of achieving rigorous proofs that justify the ability of LDs to detect invariant manifolds is simplified by introducing an alternative definition for LDs. The definition is stated for n-dimensional systems with general time dependence, however we rigorously prove that this method reveals the stable and unstable manifolds of hyperbolic points in four particular 2D cases: a hyperbolic saddle point for linear autonomous systems, a hyperbolic saddle point for nonlinear autonomous systems, a hyperbolic saddle point for linear nonautonomous systems and a hyperbolic saddle point for nonlinear nonautonomous systems. We also discuss further rigorous results which show the ability of LDs to highlight additional invariants sets, such as n-tori. These results are just a simple extension of the ergodic partition theory which we illustrate by applying this methodology to well-known examples, such as the planar field of the harmonic oscillator and the 3D ABC flow. Finally, we provide a thorough discussion on the requirement of the objectivity (frame-invariance) property for tools designed to reveal phase space structures and their implications for Lagrangian descriptors.

A METHOD FOR COUPLING DYNAMICAL AND COLLISIONAL EVOLUTION OF DUST IN CIRCUMSTELLAR DISKS: THE EFFECT OF A DEAD ZONE

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

Charnoz, Sebastien; Taillifet, Esther, E-mail: charnoz@cea.fr

Dust is a major component of protoplanetary and debris disks as it is the main observable signature of planetary formation. However, since dust dynamics are size-dependent (because of gas drag or radiation pressure) any attempt to understand the full dynamical evolution of circumstellar dusty disks that neglect the coupling of collisional evolution with dynamical evolution is thwarted because of the feedback between these two processes. Here, a new hybrid Lagrangian/Eulerian code is presented that overcomes some of these difficulties. The particles representing 'dust clouds' are tracked individually in a Lagrangian way. This system is then mapped on an Eulerian spatialmore » grid, inside the cells of which the local collisional evolutions are computed. Finally, the system is remapped back in a collection of discrete Lagrangian particles, keeping their number constant. An application example of dust growth in a turbulent protoplanetary disk at 1 AU is presented. First, the growth of dust is considered in the absence of a dead zone and the vertical distribution of dust is self-consistently computed. It is found that the mass is rapidly dominated by particles about a fraction of a millimeter in size. Then the same case with an embedded dead zone is investigated and it is found that coagulation is much more efficient and produces, in a short timescale, 1-10 cm dust pebbles that dominate the mass. These pebbles may then be accumulated into embryo-sized objects inside large-scale turbulent structures as shown recently.« less

Special Bohr-Sommerfeld Lagrangian submanifolds

NASA Astrophysics Data System (ADS)

Tyurin, N. A.

2016-12-01

We introduce a new notion in symplectic geometry, that of speciality for Lagrangian submanifolds satisfying the Bohr- Sommerfeld condition. We show that it enables one to construct finite-dimensional moduli spaces of special Bohr- Sommerfeld Lagrangian submanifolds with respect to any ample line bundle on an algebraic variety with a Hodge metric regarded as the symplectic form. This construction can be used to study mirror symmetry.

The Ship Tethered Aerostat Remote Sensing System (STARRS): Observations of Small-Scale Surface Lateral Transport During the LAgrangian Submesoscale ExpeRiment (LASER)

NASA Astrophysics Data System (ADS)

Carlson, D. F.; Novelli, G.; Guigand, C.; Özgökmen, T.; Fox-Kemper, B.; Molemaker, M. J.

2016-02-01

The Consortium for Advanced Research on the Transport of Hydrocarbon in the Environment (CARTHE) will carry out the LAgrangian Submesoscale ExpeRiment (LASER) to study the role of small-scale processes in the transport and dispersion of oil and passive tracers. The Ship-Tethered Aerostat Remote Sensing System (STARRS) will observe small-scale surface dispersion in the open ocean. STARRS is built around a high-lift-capacity (30 kg) helium-filled aerostat. STARRS is equipped with a high resolution digital camera. An integrated GNSS receiver and inertial navigation system permit direct geo-rectification of the imagery. Consortium for Advanced Research on the Transport of Hydrocarbon in the Environment (CARTHE) will carry out the LAgrangian Submesoscale ExpeRiment (LASER) to study the role of small-scale processes in the transport and dispersion of oil and passive tracers. The Ship-Tethered Aerostat Remote Sensing System (STARRS) was developed to produce observational estimates of small-scale surface dispersion in the open ocean. STARRS is built around a high-lift-capacity (30 kg) helium-filled aerostat. STARRS is equipped with a high resolution digital camera. An integrated GNSS receiver and inertial navigation system permit direct geo-rectification of the imagery. Thousands of drift cards deployed in the field of view of STARRS and tracked over time provide the first observational estimates of small-scale (1-500 m) surface dispersion in the open ocean. The STARRS imagery will be combined with GPS-tracked surface drifter trajectories, shipboard observations, and aerial surveys of sea surface temperature in the DeSoto Canyon. In addition to obvious applications to oil spill modelling, the STARRS observations will provide essential benchmarks for high resolution numerical modelsDrift cards deployed in the field of view of STARRS and tracked over time provide the first observational estimates of small-scale (1-100 m) surface dispersion in the open ocean. The STARRS

Scale dependence of deuteron electrodisintegration

NASA Astrophysics Data System (ADS)

More, S. N.; Bogner, S. K.; Furnstahl, R. J.

2017-11-01

Background: Isolating nuclear structure properties from knock-out reactions in a process-independent manner requires a controlled factorization, which is always to some degree scale and scheme dependent. Understanding this dependence is important for robust extractions from experiment, to correctly use the structure information in other processes, and to understand the impact of approximations for both. Purpose: We seek insight into scale dependence by exploring a model calculation of deuteron electrodisintegration, which provides a simple and clean theoretical laboratory. Methods: By considering various kinematic regions of the longitudinal structure function, we can examine how the components—the initial deuteron wave function, the current operator, and the final-state interactions (FSIs)—combine at different scales. We use the similarity renormalization group to evolve each component. Results: When evolved to different resolutions, the ingredients are all modified, but how they combine depends strongly on the kinematic region. In some regions, for example, the FSIs are largely unaffected by evolution, while elsewhere FSIs are greatly reduced. For certain kinematics, the impulse approximation at a high renormalization group resolution gives an intuitive picture in terms of a one-body current breaking up a short-range correlated neutron-proton pair, although FSIs distort this simple picture. With evolution to low resolution, however, the cross section is unchanged but a very different and arguably simpler intuitive picture emerges, with the evolved current efficiently represented at low momentum through derivative expansions or low-rank singular value decompositions. Conclusions: The underlying physics of deuteron electrodisintegration is scale dependent and not just kinematics dependent. As a result, intuition about physics such as the role of short-range correlations or D -state mixing in particular kinematic regimes can be strongly scale dependent

Feedforward and feedback frequency-dependent interactions in a large-scale laminar network of the primate cortex.

PubMed

Mejias, Jorge F; Murray, John D; Kennedy, Henry; Wang, Xiao-Jing

2016-11-01

Interactions between top-down and bottom-up processes in the cerebral cortex hold the key to understanding attentional processes, predictive coding, executive control, and a gamut of other brain functions. However, the underlying circuit mechanism remains poorly understood and represents a major challenge in neuroscience. We approached this problem using a large-scale computational model of the primate cortex constrained by new directed and weighted connectivity data. In our model, the interplay between feedforward and feedback signaling depends on the cortical laminar structure and involves complex dynamics across multiple (intralaminar, interlaminar, interareal, and whole cortex) scales. The model was tested by reproducing, as well as providing insights into, a wide range of neurophysiological findings about frequency-dependent interactions between visual cortical areas, including the observation that feedforward pathways are associated with enhanced gamma (30 to 70 Hz) oscillations, whereas feedback projections selectively modulate alpha/low-beta (8 to 15 Hz) oscillations. Furthermore, the model reproduces a functional hierarchy based on frequency-dependent Granger causality analysis of interareal signaling, as reported in recent monkey and human experiments, and suggests a mechanism for the observed context-dependent hierarchy dynamics. Together, this work highlights the necessity of multiscale approaches and provides a modeling platform for studies of large-scale brain circuit dynamics and functions.

Feedforward and feedback frequency-dependent interactions in a large-scale laminar network of the primate cortex

PubMed Central

Mejias, Jorge F.; Murray, John D.; Kennedy, Henry; Wang, Xiao-Jing

2016-01-01

Interactions between top-down and bottom-up processes in the cerebral cortex hold the key to understanding attentional processes, predictive coding, executive control, and a gamut of other brain functions. However, the underlying circuit mechanism remains poorly understood and represents a major challenge in neuroscience. We approached this problem using a large-scale computational model of the primate cortex constrained by new directed and weighted connectivity data. In our model, the interplay between feedforward and feedback signaling depends on the cortical laminar structure and involves complex dynamics across multiple (intralaminar, interlaminar, interareal, and whole cortex) scales. The model was tested by reproducing, as well as providing insights into, a wide range of neurophysiological findings about frequency-dependent interactions between visual cortical areas, including the observation that feedforward pathways are associated with enhanced gamma (30 to 70 Hz) oscillations, whereas feedback projections selectively modulate alpha/low-beta (8 to 15 Hz) oscillations. Furthermore, the model reproduces a functional hierarchy based on frequency-dependent Granger causality analysis of interareal signaling, as reported in recent monkey and human experiments, and suggests a mechanism for the observed context-dependent hierarchy dynamics. Together, this work highlights the necessity of multiscale approaches and provides a modeling platform for studies of large-scale brain circuit dynamics and functions. PMID:28138530

Modeling of combustion processes of stick propellants via combined Eulerian-Lagrangian approach

NASA Technical Reports Server (NTRS)

Kuo, K. K.; Hsieh, K. C.; Athavale, M. M.

1988-01-01

This research is motivated by the improved ballistic performance of large-caliber guns using stick propellant charges. A comprehensive theoretical model for predicting the flame spreading, combustion, and grain deformation phenomena of long, unslotted stick propellants is presented. The formulation is based upon a combined Eulerian-Lagrangian approach to simulate special characteristics of the two phase combustion process in a cartridge loaded with a bundle of sticks. The model considers five separate regions consisting of the internal perforation, the solid phase, the external interstitial gas phase, and two lumped parameter regions at either end of the stick bundle. For the external gas phase region, a set of transient one-dimensional fluid-dynamic equations using the Eulerian approach is obtained; governing equations for the stick propellants are formulated using the Lagrangian approach. The motion of a representative stick is derived by considering the forces acting on the entire propellant stick. The instantaneous temperature and stress fields in the stick propellant are modeled by considering the transient axisymmetric heat conduction equation and dynamic structural analysis.

Eulerian-Lagrangian solution of the convection-dispersion equation in natural coordinates

USGS Publications Warehouse

Cheng, Ralph T.; Casulli, Vincenzo; Milford, S. Nevil

1984-01-01

The vast majority of numerical investigations of transport phenomena use an Eulerian formulation for the convenience that the computational grids are fixed in space. An Eulerian-Lagrangian method (ELM) of solution for the convection-dispersion equation is discussed and analyzed. The ELM uses the Lagrangian concept in an Eulerian computational grid system. The values of the dependent variable off the grid are calculated by interpolation. When a linear interpolation is used, the method is a slight improvement over the upwind difference method. At this level of approximation both the ELM and the upwind difference method suffer from large numerical dispersion. However, if second-order Lagrangian polynomials are used in the interpolation, the ELM is proven to be free of artificial numerical dispersion for the convection-dispersion equation. The concept of the ELM is extended for treatment of anisotropic dispersion in natural coordinates. In this approach the anisotropic properties of dispersion can be conveniently related to the properties of the flow field. Several numerical examples are given to further substantiate the results of the present analysis.

Scale dependencies of proton spin constituents with a nonperturbative αs

NASA Astrophysics Data System (ADS)

Jia, Shaoyang; Huang, Feng

2012-11-01

By introducing the contribution from dynamically generated gluon mass, we present a brand new parametrized form of QCD beta function to get an inferred limited running behavior of QCD coupling constant αs. This parametrized form is regarded as an essential factor to determine the scale dependencies of the proton spin constituents at the very low scale. In order to compare with experimental results directly, we work within the gauge-invariant framework to decompose the proton spin. Utilizing the updated next-to-next-leading-order evolution equations for angular momentum observables within a modified minimal subtraction scheme, we indicate that gluon contribution to proton spin cannot be ignored. Specifically, by assuming asymptotic limits of the total quark/gluon angular momentum valid, respectively, the scale dependencies of quark angular momentum Jq and gluon angular momentum Jg down to Q2˜1GeV2 are presented, which are comparable with the preliminary analysis of deeply virtual Compton scattering experiments by HERMES and JLab. After solving scale dependencies of quark spin ΔΣq, orbital angular momenta of quarks Lq are given by subtraction, presenting a holistic picture of proton spin partition within up and down quarks at a low scale.

Resonance phenomena in a time-dependent, three-dimensional model of an idealized eddy

NASA Astrophysics Data System (ADS)

Rypina, I. I.; Pratt, L. J.; Wang, P.; Äe; -zgökmen, T. M.; Mezic, I.

2015-08-01

We analyze the geometry of Lagrangian motion and material barriers in a time-dependent, three-dimensional, Ekman-driven, rotating cylinder flow, which serves as an idealization for an isolated oceanic eddy and other overturning cells with cylindrical geometry in the ocean and atmosphere. The flow is forced at the top through an oscillating upper lid, and the response depends on the frequency and amplitude of lid oscillations. In particular, the Lagrangian geometry changes near the resonant tori of the unforced flow, whose frequencies are rationally related to the forcing frequencies. Multi-scale analytical expansions are used to simplify the flow in the vicinity of resonant trajectories and to investigate the resonant flow geometries. The resonance condition and scaling can be motivated by simple physical argument. The theoretically predicted flow geometries near resonant trajectories have then been confirmed through numerical simulations in a phenomenological model and in a full solution of the Navier-Stokes equations.

Modeling of Subsurface Lagrangian Sensor Swarms for Spatially Distributed Current Measurements in High Energy Coastal Environments

NASA Astrophysics Data System (ADS)

Harrison, T. W.; Polagye, B. L.

2016-02-01

Coastal ecosystems are characterized by spatially and temporally varying hydrodynamics. In marine renewable energy applications, these variations strongly influence project economics and in oceanographic studies, they impact accuracy of biological transport and pollutant dispersion models. While stationary point or profile measurements are relatively straight forward, spatial representativeness of point measurements can be poor due to strong gradients. Moving platforms, such as AUVs or surface vessels, offer better coverage, but suffer from energetic constraints (AUVs) and resolvable scales (vessels). A system of sub-surface, drifting sensor packages is being developed to provide spatially distributed, synoptic data sets of coastal hydrodynamics with meter-scale resolution over a regional extent of a kilometer. Computational investigation has informed system parameters such as drifter size and shape, necessary position accuracy, number of drifters, and deployment methods. A hydrodynamic domain with complex flow features was created using a computational fluid dynamics code. A simple model of drifter dynamics propagate the drifters through the domain in post-processing. System parameters are evaluated relative to their ability to accurately recreate domain hydrodynamics. Implications of these results for an inexpensive, depth-controlled Lagrangian drifter system is presented.

Moisture Sources and Large-Scale Dynamics Associated with a Flash Flood Event in Portugal

NASA Astrophysics Data System (ADS)

Liberato, Margarida L. R.; Ramos, Alexandre M.; Trigo, Ricardo M.; Trigo, Isabel F.; María Durán-Quesada, Ana; Nieto, Raquel; Gimeno, Luis

2013-04-01

through FCT (Fundação para a Ciência e a Tecnologia, Portugal) through project STORMEx FCOMP-01-0124-FEDER-019524 (PTDC/AAC-CLI/121339/2010). Margarida L. R. Liberato was also supported by a FCT grant (SFRH/BPD/45080/2008). Liberato M. L. R., A. M. Ramos, R. M. Trigo, I. F. Trigo, A. M. Durán-Quesada, R. Nieto, and L. Gimeno (2012) Moisture Sources and Large-scale Dynamics Associated with a Flash Flood Event. Lagrangian Modeling of the Atmosphere, Geophysical Monograph Series (in press). Stohl, A., and P. James (2004), A Lagrangian analysis of the atmospheric branch of the global water cycle. Part I: Method description, validation, and demonstration for the August 2002 flooding in central Europe, J. Hydrometeorol., 5, 656-678. Stohl, A., and P. James (2005), A Lagrangian analysis of the atmospheric branch of the global water cycle. Part II: Earth's river catchments, ocean basins, and moisture transports between them, J. Hydrometeorol., 6, 961-984. Zêzere, J. L., R. M. Trigo, and I. F. Trigo (2005), Shallow and deep landslides induced by rainfall in the Lisbon region (Portugal): Assessment of relationships with the North Atlantic Oscillation, Nat. Hazards Earth Syst. Sci., 5, 331-344.

Testing higher-order Lagrangian perturbation theory against numerical simulation. 1: Pancake models

NASA Technical Reports Server (NTRS)

Buchert, T.; Melott, A. L.; Weiss, A. G.

1993-01-01

We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of quasi-linear scales. The Lagrangian theory of gravitational instability of an Einstein-de Sitter dust cosmogony investigated and solved up to the third order is compared with numerical simulations. In this paper we study the dynamics of pancake models as a first step. In previous work the accuracy of several analytical approximations for the modeling of large-scale structure in the mildly non-linear regime was analyzed in the same way, allowing for direct comparison of the accuracy of various approximations. In particular, the Zel'dovich approximation (hereafter ZA) as a subclass of the first-order Lagrangian perturbation solutions was found to provide an excellent approximation to the density field in the mildly non-linear regime (i.e. up to a linear r.m.s. density contrast of sigma is approximately 2). The performance of ZA in hierarchical clustering models can be greatly improved by truncating the initial power spectrum (smoothing the initial data). We here explore whether this approximation can be further improved with higher-order corrections in the displacement mapping from homogeneity. We study a single pancake model (truncated power-spectrum with power-spectrum with power-index n = -1) using cross-correlation statistics employed in previous work. We found that for all statistical methods used the higher-order corrections improve the results obtained for the first-order solution up to the stage when sigma (linear theory) is approximately 1. While this improvement can be seen for all spatial scales, later stages retain this feature only above a certain scale which is increasing with time. However, third-order is not much improvement over second-order at any stage. The total breakdown of the perturbation approach is observed at the stage, where sigma (linear theory) is approximately 2, which corresponds to the

Parallel computing using a Lagrangian formulation

NASA Technical Reports Server (NTRS)

Liou, May-Fun; Loh, Ching Yuen

1991-01-01

A new Lagrangian formulation of the Euler equation is adopted for the calculation of 2-D supersonic steady flow. The Lagrangian formulation represents the inherent parallelism of the flow field better than the common Eulerian formulation and offers a competitive alternative on parallel computers. The implementation of the Lagrangian formulation on the Thinking Machines Corporation CM-2 Computer is described. The program uses a finite volume, first-order Godunov scheme and exhibits high accuracy in dealing with multidimensional discontinuities (slip-line and shock). By using this formulation, a better than six times speed-up was achieved on a 8192-processor CM-2 over a single processor of a CRAY-2.

Parallel computing using a Lagrangian formulation

NASA Technical Reports Server (NTRS)

Liou, May-Fun; Loh, Ching-Yuen

1992-01-01

This paper adopts a new Lagrangian formulation of the Euler equation for the calculation of two dimensional supersonic steady flow. The Lagrangian formulation represents the inherent parallelism of the flow field better than the common Eulerian formulation and offers a competitive alternative on parallel computers. The implementation of the Lagrangian formulation on the Thinking Machines Corporation CM-2 Computer is described. The program uses a finite volume, first-order Godunov scheme and exhibits high accuracy in dealing with multidimensional discontinuities (slip-line and shock). By using this formulation, we have achieved better than six times speed-up on a 8192-processor CM-2 over a single processor of a CRAY-2.

Scale-Similar Models for Large-Eddy Simulations

NASA Technical Reports Server (NTRS)

Sarghini, F.

1999-01-01

Scale-similar models employ multiple filtering operations to identify the smallest resolved scales, which have been shown to be the most active in the interaction with the unresolved subgrid scales. They do not assume that the principal axes of the strain-rate tensor are aligned with those of the subgrid-scale stress (SGS) tensor, and allow the explicit calculation of the SGS energy. They can provide backscatter in a numerically stable and physically realistic manner, and predict SGS stresses in regions that are well correlated with the locations where large Reynolds stress occurs. In this paper, eddy viscosity and mixed models, which include an eddy-viscosity part as well as a scale-similar contribution, are applied to the simulation of two flows, a high Reynolds number plane channel flow, and a three-dimensional, nonequilibrium flow. The results show that simulations without models or with the Smagorinsky model are unable to predict nonequilibrium effects. Dynamic models provide an improvement of the results: the adjustment of the coefficient results in more accurate prediction of the perturbation from equilibrium. The Lagrangian-ensemble approach [Meneveau et al., J. Fluid Mech. 319, 353 (1996)] is found to be very beneficial. Models that included a scale-similar term and a dissipative one, as well as the Lagrangian ensemble averaging, gave results in the best agreement with the direct simulation and experimental data.

Time-resolved large-scale volumetric pressure fields of an impinging jet from dense Lagrangian particle tracking

NASA Astrophysics Data System (ADS)

Huhn, F.; Schanz, D.; Manovski, P.; Gesemann, S.; Schröder, A.

2018-05-01

Time-resolved volumetric pressure fields are reconstructed from Lagrangian particle tracking with high seeding concentration using the Shake-The-Box algorithm in a perpendicular impinging jet flow with exit velocity U=4 m/s (Re˜ 36,000) and nozzle-plate spacing H/D=5. Helium-filled soap bubbles are used as tracer particles which are illuminated with pulsed LED arrays. A large measurement volume has been covered (cloud of tracked particles in a volume of 54 L, ˜ 180,000 particles). The reconstructed pressure field has been validated against microphone recordings at the wall with high correlation coefficients up to 0.88. In a reduced measurement volume (13 L), dense Lagrangian particle tracking is shown to be feasable up to the maximal possible jet velocity of U=16 m/s.

A Lagrangian stochastic model for aerial spray transport above an oak forest

USGS Publications Warehouse

Wang, Yansen; Miller, David R.; Anderson, Dean E.; McManus, Michael L.

1995-01-01

An aerial spray droplets' transport model has been developed by applying recent advances in Lagrangian stochastic simulation of heavy particles. A two-dimensional Lagrangian stochastic model was adopted to simulate the spray droplet dispersion in atmospheric turbulence by adjusting the Lagrangian integral time scale along the drop trajectory. The other major physical processes affecting the transport of spray droplets above a forest canopy, the aircraft wingtip vortices and the droplet evaporation, were also included in each time step of the droplets' transport.The model was evaluated using data from an aerial spray field experiment. In generally neutral stability conditions, the accuracy of the model predictions varied from run-to-run as expected. The average root-mean-square error was 24.61 IU cm−2, and the average relative error was 15%. The model prediction was adequate in two-dimensional steady wind conditions, but was less accurate in variable wind condition. The results indicated that the model can simulate successfully the ensemble; average transport of aerial spray droplets under neutral, steady atmospheric wind conditions.

Nonequilibrium dynamic critical scaling of the quantum Ising chain.

PubMed

Kolodrubetz, Michael; Clark, Bryan K; Huse, David A

2012-07-06

We solve for the time-dependent finite-size scaling functions of the one-dimensional transverse-field Ising chain during a linear-in-time ramp of the field through the quantum critical point. We then simulate Mott-insulating bosons in a tilted potential, an experimentally studied system in the same equilibrium universality class, and demonstrate that universality holds for the dynamics as well. We find qualitatively athermal features of the scaling functions, such as negative spin correlations, and we show that they should be robustly observable within present cold atom experiments.

Dynamic field theory and equations of motion in cosmology

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

Kopeikin, Sergei M., E-mail: kopeikins@missouri.edu; Petrov, Alexander N., E-mail: alex.petrov55@gmail.com

2014-11-15

We discuss a field-theoretical approach based on general-relativistic variational principle to derive the covariant field equations and hydrodynamic equations of motion of baryonic matter governed by cosmological perturbations of dark matter and dark energy. The action depends on the gravitational and matter Lagrangian. The gravitational Lagrangian depends on the metric tensor and its first and second derivatives. The matter Lagrangian includes dark matter, dark energy and the ordinary baryonic matter which plays the role of a bare perturbation. The total Lagrangian is expanded in an asymptotic Taylor series around the background cosmological manifold defined as a solution of Einstein’s equationsmore » in the form of the Friedmann–Lemaître–Robertson–Walker (FLRW) metric tensor. The small parameter of the decomposition is the magnitude of the metric tensor perturbation. Each term of the series expansion is gauge-invariant and all of them together form a basis for the successive post-Friedmannian approximations around the background metric. The approximation scheme is covariant and the asymptotic nature of the Lagrangian decomposition does not require the post-Friedmannian perturbations to be small though computationally it works the most effectively when the perturbed metric is close enough to the background FLRW metric. The temporal evolution of the background metric is governed by dark matter and dark energy and we associate the large scale inhomogeneities in these two components as those generated by the primordial cosmological perturbations with an effective matter density contrast δρ/ρ≤1. The small scale inhomogeneities are generated by the condensations of baryonic matter considered as the bare perturbations of the background manifold that admits δρ/ρ≫1. Mathematically, the large scale perturbations are given by the homogeneous solution of the linearized field equations while the small scale perturbations are described by a particular

Perfect fluid Lagrangian and its cosmological implications in theories of gravity with nonminimally coupled matter fields

NASA Astrophysics Data System (ADS)

Avelino, P. P.; Azevedo, R. P. L.

2018-03-01

In this paper we show that the on-shell Lagrangian of a perfect fluid depends on microscopic properties of the fluid, giving specific examples of perfect fluids with different on-shell Lagrangians but with the same energy-momentum tensor. We demonstrate that if the fluid is constituted by localized concentrations of energy with fixed rest mass and structure (solitons) then the average on-shell Lagrangian of a perfect fluid is given by Lm=T , where T is the trace of the energy-momentum tensor. We show that our results have profound implications for theories of gravity where the matter Lagrangian appears explicitly in the equations of motion of the gravitational and matter fields, potentially leading to observable deviations from a nearly perfect cosmic microwave background black body spectrum: n -type spectral distortions, affecting the normalization of the spectral energy density. Finally, we put stringent constraints on f (R ,Lm) theories of gravity using the COBE-FIRAS measurement of the spectral radiance of the cosmic microwave background.

Power law scaling in synchronization of brain signals depends on cognitive load.

PubMed

Tinker, Jesse; Velazquez, Jose Luis Perez

2014-01-01

As it has several features that optimize information processing, it has been proposed that criticality governs the dynamics of nervous system activity. Indications of such dynamics have been reported for a variety of in vitro and in vivo recordings, ranging from in vitro slice electrophysiology to human functional magnetic resonance imaging. However, there still remains considerable debate as to whether the brain actually operates close to criticality or in another governing state such as stochastic or oscillatory dynamics. A tool used to investigate the criticality of nervous system data is the inspection of power-law distributions. Although the findings are controversial, such power-law scaling has been found in different types of recordings. Here, we studied whether there is a power law scaling in the distribution of the phase synchronization derived from magnetoencephalographic recordings during executive function tasks performed by children with and without autism. Characterizing the brain dynamics that is different between autistic and non-autistic individuals is important in order to find differences that could either aid diagnosis or provide insights as to possible therapeutic interventions in autism. We report in this study that power law scaling in the distributions of a phase synchrony index is not very common and its frequency of occurrence is similar in the control and the autism group. In addition, power law scaling tends to diminish with increased cognitive load (difficulty or engagement in the task). There were indications of changes in the probability distribution functions for the phase synchrony that were associated with a transition from power law scaling to lack of power law (or vice versa), which suggests the presence of phenomenological bifurcations in brain dynamics associated with cognitive load. Hence, brain dynamics may fluctuate between criticality and other regimes depending upon context and behaviors.

Scale-dependent portfolio effects explain growth inflation and volatility reduction in landscape demography

PubMed Central

2017-01-01

Population demography is central to fundamental ecology and for predicting range shifts, decline of threatened species, and spread of invasive organisms. There is a mismatch between most demographic work, carried out on few populations and at local scales, and the need to predict dynamics at landscape and regional scales. Inspired by concepts from landscape ecology and Markowitz’s portfolio theory, we develop a landscape portfolio platform to quantify and predict the behavior of multiple populations, scaling up the expectation and variance of the dynamics of an ensemble of populations. We illustrate this framework using a 35-y time series on gypsy moth populations. We demonstrate the demography accumulation curve in which the collective growth of the ensemble depends on the number of local populations included, highlighting a minimum but adequate number of populations for both regional-scale persistence and cross-scale inference. The attainable set of landscape portfolios further suggests tools for regional population management for both threatened and invasive species. PMID:29109261

Reynolds and Prandtl number scaling of viscous heating in isotropic turbulence

NASA Astrophysics Data System (ADS)

Pushkarev, Andrey; Balarac, Guillaume; Bos, Wouter J. T.

2017-08-01

Viscous heating is investigated using high-resolution direct numerical simulations. Scaling relations are derived and verified for different values of the Reynolds and Prandtl numbers. The scaling of the heat fluctuations is shown to depend on Lagrangian correlation times and on the scaling of dissipation-rate fluctuations. The convergence of the temperature spectrum to asymptotic scaling is observed to be slow, due to the broadband character of the temperature production spectrum and the slow convergence of the dissipation-rate spectrum to its asymptotic form.

Evaluation of the HF-Radar network system around Taiwan using normalized cumulative Lagrangian separation.

NASA Astrophysics Data System (ADS)

Fredj, Erick; Kohut, Josh; Roarty, Hugh; Lai, Jian-Wu

2017-04-01

The Lagrangian separation distance between the endpoints of simulated and observed drifter trajectories is often used to assess the performance of numerical particle trajectory models. However, the separation distance fails to indicate relative model performance in weak and strong current regions, such as over continental shelves and the adjacent deep ocean. A skill score described in detail by (Lui et.al. 2011) was applied to estimate the cumulative Lagrangian separation distances normalized by the associated cumulative trajectory lengths. In contrast, the Lagrangian separation distance alone gives a misleading result. The proposed dimensionless skill score is particularly useful when the number of drifter trajectories is limited and neither a conventional Eulerian-based velocity nor a Lagrangian based probability density function may be estimated. The skill score assesses The Taiwan Ocean Radar Observing System (TOROS) performance. TOROS consists of 17 SeaSonde type radars around the Taiwan Island. The currents off Taiwan are significantly influenced by the nearby Kuroshio current. The main stream of the Kuroshio flows along the east coast of Taiwan to the north throughout the year. Sometimes its branch current also bypasses the south end of Taiwan and goes north along the west coast of Taiwan. The Kuroshio is also prone to seasonal change in its speed of flow, current capacity, distribution width, and depth. The evaluations of HF-Radar National Taiwanese network performance using Lagrangian drifter records demonstrated the high quality and robustness of TOROS HF-Radar data using a purely trajectory-based non-dimensional index. Yonggang Liu and Robert H. Weisberg, "Evaluation of trajectory modeling in different dynamic regions using normalized cumulative Lagrangian separation", Journal of Geophysical Research, Vol. 116, C09013, doi:10.1029/2010JC006837, 2011

Extracting quasi-steady Lagrangian transport patterns from the ocean circulation: An application to the Gulf of Mexico.

PubMed

Duran, R; Beron-Vera, F J; Olascoaga, M J

2018-03-26

We construct a climatology of Lagrangian coherent structures (LCSs)-the concealed skeleton that shapes transport-with a twelve-year-long data-assimilative simulation of the sea-surface circulation in the Gulf of Mexico (GoM). Computed as time-mean Cauchy-Green strain tensorlines of the climatological velocity, the climatological LCSs (cLCSs) unveil recurrent Lagrangian circulation patterns. The cLCSs strongly constrain the ensemble-mean Lagrangian circulation of the instantaneous model velocity, showing that a climatological velocity can preserve meaningful transport information. The quasi-steady transport patterns revealed by the cLCSs agree well with aspects of the GoM circulation described in several previous observational and numerical studies. For example, the cLCSs identify regions of persistent isolation, and suggest that coastal regions previously identified as high-risk for pollution impact are regions of maximal attraction. We also show that cLCSs are remarkably accurate at identifying transport patterns observed during the Deepwater Horizon and Ixtoc oil spills, and during the Grand LAgrangian Deployment (GLAD) experiment. Thus it is shown that computing cLCSs is an efficient and meaningful way of synthesizing vast amounts of Lagrangian information. The cLCS method confirms previous GoM studies, and contributes to our understanding by revealing the persistent nature of the dynamics and kinematics treated therein.

Unsteady force estimation using a Lagrangian drift-volume approach

NASA Astrophysics Data System (ADS)

McPhaden, Cameron J.; Rival, David E.

2018-04-01

A novel Lagrangian force estimation technique for unsteady fluid flows has been developed, using the concept of a Darwinian drift volume to measure unsteady forces on accelerating bodies. The construct of added mass in viscous flows, calculated from a series of drift volumes, is used to calculate the reaction force on an accelerating circular flat plate, containing highly-separated, vortical flow. The net displacement of fluid contained within the drift volumes is, through Darwin's drift-volume added-mass proposition, equal to the added mass of the plate and provides the reaction force of the fluid on the body. The resultant unsteady force estimates from the proposed technique are shown to align with the measured drag force associated with a rapid acceleration. The critical aspects of understanding unsteady flows, relating to peak and time-resolved forces, often lie within the acceleration phase of the motions, which are well-captured by the drift-volume approach. Therefore, this Lagrangian added-mass estimation technique opens the door to fluid-dynamic analyses in areas that, until now, were inaccessible by conventional means.

Differential geometry based solvation model II: Lagrangian formulation.

PubMed

Chen, Zhan; Baker, Nathan A; Wei, G W

2011-12-01

Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation models. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The optimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and PB equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of

Differential geometry based solvation model II: Lagrangian formulation

PubMed Central

Chen, Zhan; Baker, Nathan A.; Wei, G. W.

2010-01-01

Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation model. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory (SPT) of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The minimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and Poisson-Boltzmann equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for

Automated detection of Lagrangian eddies and coherent transport of heat and salinity in the Agulhas leakage

NASA Astrophysics Data System (ADS)

Huhn, Florian; Haller, George

2014-05-01

Haller and Beron-Vera(2013) have recently introduced a new objective method to detect coherent Lagrangian eddies in turbulence. They find that closed null-geodesics of a generalized Green-Lagrange strain tensor act as coherent Lagrangian eddy boundaries, showing near-zero and uniform material stretching. We make use of this method to develop an automated detection procedure for coherent Lagrangian eddies in large-scale ocean data. We apply our results to a recent 3D general circulation model, the Southern Ocean State Estimate (SOSE), with focus on the South Atlantic Ocean and the inter-ocean exchange between the Indian and Atlantic ocean. We detect a large number of coherent Lagrangian eddies and present statistics of their properties. The largest and most circular eddy boundaries represent Lagrangian Agulhas rings. Circular regions inside these rings with higher temperature and salinity than the surrounding waters can be explained by the coherent eddy boundaries that enclose and isolate the eddy interiors. We compare eddy boundaries at different depths with eddy boundaries obtained from geostrophic velocities derived from the model's sea surface height (SSH). The transport of mass, heat and salinity enclosed by coherent eddies through a section in the Cape basin is quantified and compared to the non-coherent transport by the background flow.

Comparison of updated Lagrangian FEM with arbitrary Lagrangian Eulerian method for 3D thermo-mechanical extrusion of a tube profile

NASA Astrophysics Data System (ADS)

Kronsteiner, J.; Horwatitsch, D.; Zeman, K.

2017-10-01

Thermo-mechanical numerical modelling and simulation of extrusion processes faces several serious challenges. Large plastic deformations in combination with a strong coupling of thermal with mechanical effects leads to a high numerical demand for the solution as well as for the handling of mesh distortions. The two numerical methods presented in this paper also reflect two different ways to deal with mesh distortions. Lagrangian Finite Element Methods (FEM) tackle distorted elements by building a new mesh (called re-meshing) whereas Arbitrary Lagrangian Eulerian (ALE) methods use an "advection" step to remap the solution from the distorted to the undistorted mesh. Another difference between conventional Lagrangian and ALE methods is the separate treatment of material and mesh in ALE, allowing the definition of individual velocity fields. In theory, an ALE formulation contains the Eulerian formulation as a subset to the Lagrangian description of the material. The investigations presented in this paper were dealing with the direct extrusion of a tube profile using EN-AW 6082 aluminum alloy and a comparison of experimental with Lagrangian and ALE results. The numerical simulations cover the billet upsetting and last until one third of the billet length is extruded. A good qualitative correlation of experimental and numerical results could be found, however, major differences between Lagrangian and ALE methods concerning thermo-mechanical coupling lead to deviations in the thermal results.

Direct experimental visualization of the global Hamiltonian progression of two-dimensional Lagrangian flow topologies from integrable to chaotic state.

PubMed

Baskan, O; Speetjens, M F M; Metcalfe, G; Clercx, H J H

2015-10-01

Countless theoretical/numerical studies on transport and mixing in two-dimensional (2D) unsteady flows lean on the assumption that Hamiltonian mechanisms govern the Lagrangian dynamics of passive tracers. However, experimental studies specifically investigating said mechanisms are rare. Moreover, they typically concern local behavior in specific states (usually far away from the integrable state) and generally expose this indirectly by dye visualization. Laboratory experiments explicitly addressing the global Hamiltonian progression of the Lagrangian flow topology entirely from integrable to chaotic state, i.e., the fundamental route to efficient transport by chaotic advection, appear non-existent. This motivates our study on experimental visualization of this progression by direct measurement of Poincaré sections of passive tracer particles in a representative 2D time-periodic flow. This admits (i) accurate replication of the experimental initial conditions, facilitating true one-to-one comparison of simulated and measured behavior, and (ii) direct experimental investigation of the ensuing Lagrangian dynamics. The analysis reveals a close agreement between computations and observations and thus experimentally validates the full global Hamiltonian progression at a great level of detail.

Gravity, Time, and Lagrangians

NASA Astrophysics Data System (ADS)

Huggins, Elisha

2010-11-01

Feynman mentioned to us that he understood a topic in physics if he could explain it to a college freshman, a high school student, or a dinner guest. Here we will discuss two topics that took us a while to get to that level. One is the relationship between gravity and time. The other is the minus sign that appears in the Lagrangian. (Why would one subtract potential energy from kinetic energy?) In this paper we discuss a thought experiment that relates gravity and time. Then we use a Feynman thought experiment to explain the minus sign in the Lagrangian. Our surprise was that these two topics are related.

Lagrangian Hotspots of In-Use NOX Emissions from Transit Buses.

PubMed

Kotz, Andrew J; Kittelson, David B; Northrop, William F

2016-06-07

In-use, spatiotemporal NOX emissions were measured from a conventional powertrain transit bus and a series electric hybrid bus over gradients of route kinetic intensity and ambient temperature. This paper introduces a new method for identifying NOX emissions hotspots along a bus route using high fidelity Lagrangian vehicle data to explore spatial interactions that may influence emissions production. Our study shows that the studied transit buses emit higher than regulated emissions because on-route operation does not accurately represent the range of engine operation tested according to regulatory standards. Using the Lagrangian hotspot detection, we demonstrate that NOX hotspots occurred at bus stops, during cold starts, on inclines, and for accelerations. On the selected routes, bus stops resulted in 3.3 times the route averaged emissions factor in grams/km without significant dependence on bus type or climate. The buses also emitted 2.3 times the route averaged NOX emissions factor at the beginning of each route due to cold selective catalytic reduction aftertreatment temperature. The Lagrangian hotspot detection technique demonstrated here could be employed in future connected vehicles empowered by advances in computational power, data storage capability, and improved sensor technology to optimize emissions as a function of spatial location.

Implications of Lagrangian Tracer Transport for Coupled Chemistry-Climate Simulations

NASA Astrophysics Data System (ADS)

Stenke, A.

2009-05-01

Today's coupled chemistry-climate models (CCM) consider a large number of trace species and feedback processes. Due to the radiative effect of some species, errors in simulated tracer distributions can feed back to model dynamics. Thus, shortcomings of the applied transport schemes can have severe implications for the overall model performance. Traditional Eulerian approaches show a satisfactory performance in case of homogeneously distributed trace species, but they can lead to severe problems when applied to highly inhomogeneous tracer distributions. In case of sharp gradients many schemes show a considerable numerical diffusion. Lagrangian approaches, on the other hand, combine a number of favourable numerical properties: They are strictly mass-conserving and do not suffer from numerical diffusion. Therefore they are able to maintain steeper gradients. A further advantage is that they allow the transport of a large number of tracers without being prohibitively expensive. A variety of benefits for stratospheric dynamics and chemistry resulting from a Lagrangian transport algorithm are demonstrated by the example of the CCM E39C. In an updated version of E39C, called E39C-A, the operational semi-Lagrangian advection scheme has been replaced with the purely Lagrangian scheme ATTILA. It will be shown that several model deficiencies can be cured by the choice of an appropriate transport algorithm. The most important advancement concerns the reduction of a pronounced wet bias in the extra- tropical lowermost stratosphere. In turn, the associated temperature error ("cold bias") is significantly reduced. Stratospheric wind variations are now in better agreement with observations, e.g. E39C-A is able to reproduce the stratospheric wind reversal in the Southern Hemisphere in summer which was not captured by the previous model version. Resulting changes in wave propagation and dissipation lead to a weakening of the simulated mean meridional circulation and therefore a more

Chiral Lagrangian with broken scale: Testing the restoration of symmetries in astrophysics and in the laboratory

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

Bonanno, Luca; Drago, Alessandro

2009-04-15

We study matter at high density and temperature using a chiral Lagrangian in which the breaking of scale invariance is regulated by the value of a scalar field, called dilaton [E. K. Heide, S. Rudaz, and P. J. Ellis, Nucl. Phys. A571, 713 (1994); G. W. Carter, P. J. Ellis, and S. Rudaz, Nucl. Phys. A603, 367 (1996); G. W. Carter, P. J. Ellis, and S. Rudaz, Nucl. Phys. A618, 317 (1997); G. W. Carter and P. J. Ellis, Nucl. Phys. A628, 325 (1998)]. We provide a phase diagram describing the restoration of chiral and scale symmetries. We show thatmore » chiral symmetry is restored at large temperatures, but at low temperatures it remains broken at all densities. We also show that scale invariance is more easily restored at low rather than large baryon densities. The masses of vector-mesons scale with the value of the dilaton and their values initially slightly decrease with the density but then they increase again for densities larger than {approx}3{rho}{sub 0}. The pion mass increases continuously with the density and at {rho}{sub 0} and T=0 its value is {approx}30 MeV larger than in the vacuum. We show that the model is compatible with the bounds stemming from astrophysics, as, e.g., the one associated with the maximum mass of a neutron star. The most striking feature of the model is a very significant softening at large densities, which manifests also as a strong reduction of the adiabatic index. Although the softening has probably no consequence for supernova explosion via the direct mechanism, it could modify the signal in gravitational waves associated with the merging of two neutron stars.« less

Nonreciprocity in the dynamics of coupled oscillators with nonlinearity, asymmetry, and scale hierarchy

NASA Astrophysics Data System (ADS)

Moore, Keegan J.; Bunyan, Jonathan; Tawfick, Sameh; Gendelman, Oleg V.; Li, Shuangbao; Leamy, Michael; Vakakis, Alexander F.

2018-01-01

In linear time-invariant dynamical and acoustical systems, reciprocity holds by the Onsager-Casimir principle of microscopic reversibility, and this can be broken only by odd external biases, nonlinearities, or time-dependent properties. A concept is proposed in this work for breaking dynamic reciprocity based on irreversible nonlinear energy transfers from large to small scales in a system with nonlinear hierarchical internal structure, asymmetry, and intentional strong stiffness nonlinearity. The resulting nonreciprocal large-to-small scale energy transfers mimic analogous nonlinear energy transfer cascades that occur in nature (e.g., in turbulent flows), and are caused by the strong frequency-energy dependence of the essentially nonlinear small-scale components of the system considered. The theoretical part of this work is mainly based on action-angle transformations, followed by direct numerical simulations of the resulting system of nonlinear coupled oscillators. The experimental part considers a system with two scales—a linear large-scale oscillator coupled to a small scale by a nonlinear spring—and validates the theoretical findings demonstrating nonreciprocal large-to-small scale energy transfer. The proposed study promotes a paradigm for designing nonreciprocal acoustic materials harnessing strong nonlinearity, which in a future application will be implemented in designing lattices incorporating nonlinear hierarchical internal structures, asymmetry, and scale mixing.

A primer on the study of transitory dynamics in ecological series using the scale-dependent correlation analysis.

PubMed

Rodríguez-Arias, Miquel Angel; Rodó, Xavier

2004-03-01

Here we describe a practical, step-by-step primer to scale-dependent correlation (SDC) analysis. The analysis of transitory processes is an important but often neglected topic in ecological studies because only a few statistical techniques appear to detect temporary features accurately enough. We introduce here the SDC analysis, a statistical and graphical method to study transitory processes at any temporal or spatial scale. SDC analysis, thanks to the combination of conventional procedures and simple well-known statistical techniques, becomes an improved time-domain analogue of wavelet analysis. We use several simple synthetic series to describe the method, a more complex example, full of transitory features, to compare SDC and wavelet analysis, and finally we analyze some selected ecological series to illustrate the methodology. The SDC analysis of time series of copepod abundances in the North Sea indicates that ENSO primarily is the main climatic driver of short-term changes in population dynamics. SDC also uncovers some long-term, unexpected features in the population. Similarly, the SDC analysis of Nicholson's blowflies data locates where the proposed models fail and provides new insights about the mechanism that drives the apparent vanishing of the population cycle during the second half of the series.

Lagrangian formulation of the 2(2S+1)-component model and its connection with the skew symmetric/tensor description

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

Dvoeglazov, V.V.

1993-12-01

In the framework of the 2(2S + 1)-component theory for massless particles, the dynamical invariants have been derived from the Lagrangian density which is considered to be a 4-vector. A la Majorana interpretation of the 6-component spinors, the field operators of S=1 particles, as the left- and right-circularly polarized radiation, leads the author to the conserved quantities which are analogous to ones obtained by Lipkin and Sudbery. The scalar Lagrangian of this model is shown to be equivalent to the Lagrangian of a free massless field, introduced by Hayashi. As a consequence of a new {open_quotes}gauge{close_quotes} invariance this skew-symmetric fieldmore » describes physical particles with the longitudinal components only.« less

Solving large scale structure in ten easy steps with COLA

NASA Astrophysics Data System (ADS)

Tassev, Svetlin; Zaldarriaga, Matias; Eisenstein, Daniel J.

2013-06-01

We present the COmoving Lagrangian Acceleration (COLA) method: an N-body method for solving for Large Scale Structure (LSS) in a frame that is comoving with observers following trajectories calculated in Lagrangian Perturbation Theory (LPT). Unlike standard N-body methods, the COLA method can straightforwardly trade accuracy at small-scales in order to gain computational speed without sacrificing accuracy at large scales. This is especially useful for cheaply generating large ensembles of accurate mock halo catalogs required to study galaxy clustering and weak lensing, as those catalogs are essential for performing detailed error analysis for ongoing and future surveys of LSS. As an illustration, we ran a COLA-based N-body code on a box of size 100 Mpc/h with particles of mass ≈ 5 × 109Msolar/h. Running the code with only 10 timesteps was sufficient to obtain an accurate description of halo statistics down to halo masses of at least 1011Msolar/h. This is only at a modest speed penalty when compared to mocks obtained with LPT. A standard detailed N-body run is orders of magnitude slower than our COLA-based code. The speed-up we obtain with COLA is due to the fact that we calculate the large-scale dynamics exactly using LPT, while letting the N-body code solve for the small scales, without requiring it to capture exactly the internal dynamics of halos. Achieving a similar level of accuracy in halo statistics without the COLA method requires at least 3 times more timesteps than when COLA is employed.

Lagrangian condensation microphysics with Twomey CCN activation

NASA Astrophysics Data System (ADS)

Grabowski, Wojciech W.; Dziekan, Piotr; Pawlowska, Hanna

2018-01-01

We report the development of a novel Lagrangian microphysics methodology for simulations of warm ice-free clouds. The approach applies the traditional Eulerian method for the momentum and continuous thermodynamic fields such as the temperature and water vapor mixing ratio, and uses Lagrangian super-droplets to represent condensed phase such as cloud droplets and drizzle or rain drops. In other applications of the Lagrangian warm-rain microphysics, the super-droplets outside clouds represent unactivated cloud condensation nuclei (CCN) that become activated upon entering a cloud and can further grow through diffusional and collisional processes. The original methodology allows for the detailed study of not only effects of CCN on cloud microphysics and dynamics, but also CCN processing by a cloud. However, when cloud processing is not of interest, a simpler and computationally more efficient approach can be used with super-droplets forming only when CCN is activated and no super-droplet existing outside a cloud. This is possible by applying the Twomey activation scheme where the local supersaturation dictates the concentration of cloud droplets that need to be present inside a cloudy volume, as typically used in Eulerian bin microphysics schemes. Since a cloud volume is a small fraction of the computational domain volume, the Twomey super-droplets provide significant computational advantage when compared to the original super-droplet methodology. Additional advantage comes from significantly longer time steps that can be used when modeling of CCN deliquescence is avoided. Moreover, other formulation of the droplet activation can be applied in case of low vertical resolution of the host model, for instance, linking the concentration of activated cloud droplets to the local updraft speed. This paper discusses the development and testing of the Twomey super-droplet methodology, focusing on the activation and diffusional growth. Details of the activation

Effective Lagrangians and Current Algebra in Three Dimensions

NASA Astrophysics Data System (ADS)

Ferretti, Gabriele

In this thesis we study three dimensional field theories that arise as effective Lagrangians of quantum chromodynamics in Minkowski space with signature (2,1) (QCD3). In the first chapter, we explain the method of effective Langrangians and the relevance of current algebra techniques to field theory. We also provide the physical motivations for the study of QCD3 as a toy model for confinement and as a theory of quantum antiferromagnets (QAF). In chapter two, we derive the relevant effective Lagrangian by studying the low energy behavior of QCD3, paying particular attention to how the global symmetries are realized at the quantum level. In chapter three, we show how baryons arise as topological solitons of the effective Lagrangian and also show that their statistics depends on the number of colors as predicted by the quark model. We calculate mass splitting and magnetic moments of the soliton and find logarithmic corrections to the naive quark model predictions. In chapter four, we drive the current algebra of the theory. We find that the current algebra is a co -homologically non-trivial generalization of Kac-Moody algebras to three dimensions. This fact may provide a new, non -perturbative way to quantize the theory. In chapter five, we discuss the renormalizability of the model in the large-N expansion. We prove the validity of the non-renormalization theorem and compute the critical exponents in a specific limiting case, the CP^ {N-1} model with a Chern-Simons term. Finally, chapter six contains some brief concluding remarks.

Lagrangian coherent structures along atmospheric rivers.

PubMed

Garaboa-Paz, Daniel; Eiras-Barca, Jorge; Huhn, Florian; Pérez-Muñuzuri, Vicente

2015-06-01

We show that filamentous Atmospheric Rivers (ARs) over the Northern Atlantic Ocean are closely linked to attracting Lagrangian Coherent Structures (LCSs) in the large scale wind field. The detected LCSs represent lines of attraction in the evolving flow with a significant impact on all passive tracers. Using Finite-Time Lyapunov Exponents, we extract LCSs from a two-dimensional flow derived from water vapor flux of atmospheric reanalysis data and compare them to the three-dimensional LCS obtained from the wind flow. We correlate the typical filamentous water vapor patterns of ARs with LCSs and find that LCSs bound the filaments on the back side. Passive advective transport of water vapor in the AR from tropical latitudes is potentially possible.

Dynamics of proteins aggregation. II. Dynamic scaling in confined media

NASA Astrophysics Data System (ADS)

Zheng, Size; Shing, Katherine S.; Sahimi, Muhammad

2018-03-01

In this paper, the second in a series devoted to molecular modeling of protein aggregation, a mesoscale model of proteins together with extensive discontinuous molecular dynamics simulation is used to study the phenomenon in a confined medium. The medium, as a model of a crowded cellular environment, is represented by a spherical cavity, as well as cylindrical tubes with two aspect ratios. The aggregation process leads to the formation of β sheets and eventually fibrils, whose deposition on biological tissues is believed to be a major factor contributing to many neuro-degenerative diseases, such as Alzheimer's, Parkinson's, and amyotrophic lateral sclerosis diseases. Several important properties of the aggregation process, including dynamic evolution of the total number of the aggregates, the mean aggregate size, and the number of peptides that contribute to the formation of the β sheets, have been computed. We show, similar to the unconfined media studied in Paper I [S. Zheng et al., J. Chem. Phys. 145, 134306 (2016)], that the computed properties follow dynamic scaling, characterized by power laws. The existence of such dynamic scaling in unconfined media was recently confirmed by experiments. The exponents that characterize the power-law dependence on time of the properties of the aggregation process in spherical cavities are shown to agree with those in unbounded fluids at the same protein density, while the exponents for aggregation in the cylindrical tubes exhibit sensitivity to the geometry of the system. The effects of the number of amino acids in the protein, as well as the size of the confined media, have also been studied. Similarities and differences between aggregation in confined and unconfined media are described, including the possibility of no fibril formation, if confinement is severe.

Two-dimensional Lagrangian simulation of suspended sediment

USGS Publications Warehouse

Schoellhamer, David H.

1988-01-01

A two-dimensional laterally averaged model for suspended sediment transport in steady gradually varied flow that is based on the Lagrangian reference frame is presented. The layered Lagrangian transport model (LLTM) for suspended sediment performs laterally averaged concentration. The elevations of nearly horizontal streamlines and the simulation time step are selected to optimize model stability and efficiency. The computational elements are parcels of water that are moved along the streamlines in the Lagrangian sense and are mixed with neighboring parcels. Three applications show that the LLTM can accurately simulate theoretical and empirical nonequilibrium suspended sediment distributions and slug injections of suspended sediment in a laboratory flume.

Time-dependent corona models - Scaling laws

NASA Technical Reports Server (NTRS)

Korevaar, P.; Martens, P. C. H.

1989-01-01

Scaling laws are derived for the one-dimensional time-dependent Euler equations that describe the evolution of a spherically symmetric stellar atmosphere. With these scaling laws the results of the time-dependent calculations by Korevaar (1989) obtained for one star are applicable over the whole Hertzsprung-Russell diagram and even to elliptic galaxies. The scaling is exact for stars with the same M/R-ratio and a good approximation for stars with a different M/R-ratio. The global relaxation oscillation found by Korevaar (1989) is scaled to main sequence stars, a solar coronal hole, cool giants and elliptic galaxies.

Elimination of artificial grid distortion and hourglass-type motions by means of Lagrangian subzonal masses and pressures

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

Caramana, E.J.; Shashkov, M.J.

1997-12-31

The bane of Lagrangian hydrodynamics calculations is premature breakdown of the grid topology that results in severe degradation of accuracy and run termination often long before the assumption of Lagrangian zonal mass ceased to be valid. At short spatial grid scales this is usually referred to by the terms hourglass mode or keystone motion associated in particular with underconstrained grids such as quadrilaterals and hexahedrons in two and three dimensions, respectively. At longer spatial scales relative to the grid spacing there is what is referred to ubiquitously as spurious vorticity, or the long-thin zone problem. In both cases the resultmore » is anomalous grid distortion and tangling that has nothing to do with the actual solution, as would be the case for turbulent flow. In this work the authors show how such motions can be eliminated by the proper use of subzonal Lagrangian masses, and associated densities and pressures. These subzonal masses arise in a natural way from the fact that they require the mass associated with the nodal grid point to be constant in time. This is addition to the usual assumption of constant, Lagrangian zonal mass in staggered grid hydrodynamics scheme. The authors show that with proper discretization of subzonal forces resulting from subzonal pressures, hourglass motion and spurious vorticity can be eliminated for a very large range of problems. Finally the authors are presenting results of calculations of many test problems.« less

Long-time Dynamics of Stochastic Wave Breaking

NASA Astrophysics Data System (ADS)

Restrepo, J. M.; Ramirez, J. M.; Deike, L.; Melville, K.

2017-12-01

A stochastic parametrization is proposed for the dynamics of wave breaking of progressive water waves. The model is shown to agree with transport estimates, derived from the Lagrangian path of fluid parcels. These trajectories are obtained numerically and are shown to agree well with theory in the non-breaking regime. Of special interest is the impact of wave breaking on transport, momentum exchanges and energy dissipation, as well as dispersion of trajectories. The proposed model, ensemble averaged to larger time scales, is compared to ensemble averages of the numerically generated parcel dynamics, and is then used to capture energy dissipation and path dispersion.

Statistical analysis of mesoscale rainfall: Dependence of a random cascade generator on large-scale forcing

NASA Technical Reports Server (NTRS)

Over, Thomas, M.; Gupta, Vijay K.

1994-01-01

Under the theory of independent and identically distributed random cascades, the probability distribution of the cascade generator determines the spatial and the ensemble properties of spatial rainfall. Three sets of radar-derived rainfall data in space and time are analyzed to estimate the probability distribution of the generator. A detailed comparison between instantaneous scans of spatial rainfall and simulated cascades using the scaling properties of the marginal moments is carried out. This comparison highlights important similarities and differences between the data and the random cascade theory. Differences are quantified and measured for the three datasets. Evidence is presented to show that the scaling properties of the rainfall can be captured to the first order by a random cascade with a single parameter. The dependence of this parameter on forcing by the large-scale meteorological conditions, as measured by the large-scale spatial average rain rate, is investigated for these three datasets. The data show that this dependence can be captured by a one-to-one function. Since the large-scale average rain rate can be diagnosed from the large-scale dynamics, this relationship demonstrates an important linkage between the large-scale atmospheric dynamics and the statistical cascade theory of mesoscale rainfall. Potential application of this research to parameterization of runoff from the land surface and regional flood frequency analysis is briefly discussed, and open problems for further research are presented.

Unique Testing Capabilities of the NASA Langley Transonic Dynamics Tunnel, an Exercise in Aeroelastic Scaling

NASA Technical Reports Server (NTRS)

Ivanco, Thomas G.

2013-01-01

NASA Langley Research Center's Transonic Dynamics Tunnel (TDT) is the world's most capable aeroelastic test facility. Its large size, transonic speed range, variable pressure capability, and use of either air or R-134a heavy gas as a test medium enable unparalleled manipulation of flow-dependent scaling quantities. Matching these scaling quantities enables dynamic similitude of a full-scale vehicle with a sub-scale model, a requirement for proper characterization of any dynamic phenomenon, and many static elastic phenomena. Select scaling parameters are presented in order to quantify the scaling advantages of TDT and the consequence of testing in other facilities. In addition to dynamic testing, the TDT is uniquely well-suited for high risk testing or for those tests that require unusual model mount or support systems. Examples of recently conducted dynamic tests requiring unusual model support are presented. In addition to its unique dynamic test capabilities, the TDT is also evaluated in its capability to conduct aerodynamic performance tests as a result of its flow quality. Results of flow quality studies and a comparison to a many other transonic facilities are presented. Finally, the ability of the TDT to support future NASA research thrusts and likely vehicle designs is discussed.

Lagrangian statistics in compressible isotropic homogeneous turbulence

NASA Astrophysics Data System (ADS)

Yang, Yantao; Wang, Jianchun; Shi, Yipeng; Chen, Shiyi

2011-11-01

In this work we conducted the Direct Numerical Simulation (DNS) of a forced compressible isotropic homogeneous turbulence and investigated the flow statistics from the Lagrangian point of view, namely the statistics is computed following the passive tracers trajectories. The numerical method combined the Eulerian field solver which was developed by Wang et al. (2010, J. Comp. Phys., 229, 5257-5279), and a Lagrangian module for tracking the tracers and recording the data. The Lagrangian probability density functions (p.d.f.'s) have then been calculated for both kinetic and thermodynamic quantities. In order to isolate the shearing part from the compressing part of the flow, we employed the Helmholtz decomposition to decompose the flow field (mainly the velocity field) into the solenoidal and compressive parts. The solenoidal part was compared with the incompressible case, while the compressibility effect showed up in the compressive part. The Lagrangian structure functions and cross-correlation between various quantities will also be discussed. This work was supported in part by the China's Turbulence Program under Grant No.2009CB724101.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Imposing a Lagrangian Particle Framework on an Eulerian Hydrodynamics Infrastructure in Flash

NASA Technical Reports Server (NTRS)

Dubey, A.; Daley, C.; ZuHone, J.; Ricker, P. M.; Weide, K.; Graziani, C.

2012-01-01

In many astrophysical simulations, both Eulerian and Lagrangian quantities are of interest. For example, in a galaxy cluster merger simulation, the intracluster gas can have Eulerian discretization, while dark matter can be modeled using particles. FLASH, a component-based scientific simulation code, superimposes a Lagrangian framework atop an adaptive mesh refinement Eulerian framework to enable such simulations. The discretization of the field variables is Eulerian, while the Lagrangian entities occur in many different forms including tracer particles, massive particles, charged particles in particle-in-cell mode, and Lagrangian markers to model fluid structure interactions. These widely varying roles for Lagrangian entities are possible because of the highly modular, flexible, and extensible architecture of the Lagrangian framework. In this paper, we describe the Lagrangian framework in FLASH in the context of two very different applications, Type Ia supernovae and galaxy cluster mergers, which use the Lagrangian entities in fundamentally different ways.

Imposing a Lagrangian Particle Framework on an Eulerian Hydrodynamics Infrastructure in FLASH

NASA Astrophysics Data System (ADS)

Dubey, A.; Daley, C.; ZuHone, J.; Ricker, P. M.; Weide, K.; Graziani, C.

2012-08-01

In many astrophysical simulations, both Eulerian and Lagrangian quantities are of interest. For example, in a galaxy cluster merger simulation, the intracluster gas can have Eulerian discretization, while dark matter can be modeled using particles. FLASH, a component-based scientific simulation code, superimposes a Lagrangian framework atop an adaptive mesh refinement Eulerian framework to enable such simulations. The discretization of the field variables is Eulerian, while the Lagrangian entities occur in many different forms including tracer particles, massive particles, charged particles in particle-in-cell mode, and Lagrangian markers to model fluid-structure interactions. These widely varying roles for Lagrangian entities are possible because of the highly modular, flexible, and extensible architecture of the Lagrangian framework. In this paper, we describe the Lagrangian framework in FLASH in the context of two very different applications, Type Ia supernovae and galaxy cluster mergers, which use the Lagrangian entities in fundamentally different ways.

Identification and Lagrangian analysis of oceanographic structures favorable for fishery of neon flying squid ( Ommastrephes bartramii) in the South Kuril area

NASA Astrophysics Data System (ADS)

Budyansky, M. V.; Prants, S. V.; Samko, E. V.; Uleysky, M. Yu.

2017-09-01

Based on the AVISO velocity field, we compute daily synoptic Lagrangian maps in the South Kuril area for the fishery seasons of 1998, 1999, and 2001-2005 from available catching data on neon flying squid (NFS). With the help of drift maps for artificial particles, we found that the majority of NFS fishing grounds featuring maximum catches are situated near large-scale Lagrangian intrusions: tongues of water penetrating the surrounding water of other Lagrangian properties. It is shown that the NFS catch locations tend to accumulate at places where waters with different magnitudes of certain Lagrangian indicators converge, mix, and produce filaments, swirls, and tendrils typical of chaotic advection. Potential NFS fishing grounds are mainly located near (1) Lagrangian intrusions of the Subarctic front, (2) intrusions of Okhotsk Sea and Oyashio waters around mesoscale anticyclones east of Hokkaido with subsequent penetration of catch locations inside eddies and (3) intrusions of subtropical waters into the central part of the South Kuril area due to interaction with eddies of different size and polarity. Possible reasons for increased biological production and fishery in the vicinity of Lagrangian intrusions are discussed.

A Lagrangian mixing frequency model for transported PDF modeling

NASA Astrophysics Data System (ADS)

Turkeri, Hasret; Zhao, Xinyu

2017-11-01

In this study, a Lagrangian mixing frequency model is proposed for molecular mixing models within the framework of transported probability density function (PDF) methods. The model is based on the dissipations of mixture fraction and progress variables obtained from Lagrangian particles in PDF methods. The new model is proposed as a remedy to the difficulty in choosing the optimal model constant parameters when using conventional mixing frequency models. The model is implemented in combination with the Interaction by exchange with the mean (IEM) mixing model. The performance of the new model is examined by performing simulations of Sandia Flame D and the turbulent premixed flame from the Cambridge stratified flame series. The simulations are performed using the pdfFOAM solver which is a LES/PDF solver developed entirely in OpenFOAM. A 16-species reduced mechanism is used to represent methane/air combustion, and in situ adaptive tabulation is employed to accelerate the finite-rate chemistry calculations. The results are compared with experimental measurements as well as with the results obtained using conventional mixing frequency models. Dynamic mixing frequencies are predicted using the new model without solving additional transport equations, and good agreement with experimental data is observed.

Out-of-equilibrium dynamics driven by localized time-dependent perturbations at quantum phase transitions

NASA Astrophysics Data System (ADS)

Pelissetto, Andrea; Rossini, Davide; Vicari, Ettore

2018-03-01

We investigate the quantum dynamics of many-body systems subject to local (i.e., restricted to a limited space region) time-dependent perturbations. If the system crosses a quantum phase transition, an off-equilibrium behavior is observed, even for a very slow driving. We show that, close to the transition, time-dependent quantities obey scaling laws. In first-order transitions, the scaling behavior is universal, and some scaling functions can be computed exactly. For continuous transitions, the scaling laws are controlled by the standard critical exponents and by the renormalization-group dimension of the perturbation at the transition. Our protocol can be implemented in existing relatively small quantum simulators, paving the way for a quantitative probe of the universal off-equilibrium scaling behavior, without the need to manipulate systems close to the thermodynamic limit.

Direct experimental visualization of the global Hamiltonian progression of two-dimensional Lagrangian flow topologies from integrable to chaotic state

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

Baskan, O.; Clercx, H. J. H; Speetjens, M. F. M.

Countless theoretical/numerical studies on transport and mixing in two-dimensional (2D) unsteady flows lean on the assumption that Hamiltonian mechanisms govern the Lagrangian dynamics of passive tracers. However, experimental studies specifically investigating said mechanisms are rare. Moreover, they typically concern local behavior in specific states (usually far away from the integrable state) and generally expose this indirectly by dye visualization. Laboratory experiments explicitly addressing the global Hamiltonian progression of the Lagrangian flow topology entirely from integrable to chaotic state, i.e., the fundamental route to efficient transport by chaotic advection, appear non-existent. This motivates our study on experimental visualization of this progressionmore » by direct measurement of Poincaré sections of passive tracer particles in a representative 2D time-periodic flow. This admits (i) accurate replication of the experimental initial conditions, facilitating true one-to-one comparison of simulated and measured behavior, and (ii) direct experimental investigation of the ensuing Lagrangian dynamics. The analysis reveals a close agreement between computations and observations and thus experimentally validates the full global Hamiltonian progression at a great level of detail.« less

Collaborative Visual Seafloor Imaging using a Photographic AUV and a Lagrangian Imaging Float

NASA Astrophysics Data System (ADS)

Friedman, A.; Pizarro, O.; Roman, C.; Toohey, L.; Snyder, W.; Johnson-Roberson, M.; Iscar, E.; Williams, S. B.

2016-02-01

High resolution seafloor imaging from mobile autonomous platforms has become a valuable tool for habitat classification, stock assessment and seafloor exploration. This abstract addresses the concept of joint seafloor survey planning using both navigable and drifting platforms, and presents results from an experiment using a bottom surveying AUV and a drifting Lagrangian camera float. We consider two classes of vehicles; one which is able to self propel and execute structured surveys, and one which is Lagrangian and moves only with the currents. The navigable vehicle is the more capable and the more expensives asset of the two. The Lagrangian platforms is a low cost imaging tool that can actively control its altitude above the seafloor to obtain high quality images but can not otherwise control its trajectory over the bottom. When used together the vehicles offer several scenarios for joint operations. When used in an exploratory manner the Lagrangian float is an inexpensive way to collect images from an unknown area. Depending on the collected images, a follow on structured survey with the navigable AUV can collect additional information if the cost is acceptable given the need and prior data. When used simultaneously the drifting float can guide the AUV trajectory over an area. When both platforms are equipped with acoustic tracking and communications the AUV trajectory can be automatically redirected to follow the Lagrangian float using one of many patterns. This capability allows for surveys that are potentially more representative of the near bottom oceanographic conditions at the desired location. Results will be presented from a cruise to Scott Reef, Australia, where both platforms were used as part of a coral habitat monitoring project.

Nonunitary Lagrangians and Unitary Non-Lagrangian Conformal Field Theories.

PubMed

Buican, Matthew; Laczko, Zoltan

2018-02-23

In various dimensions, we can sometimes compute observables of interacting conformal field theories (CFTs) that are connected to free theories via the renormalization group (RG) flow by computing protected quantities in the free theories. On the other hand, in two dimensions, it is often possible to algebraically construct observables of interacting CFTs using free fields without the need to explicitly construct an underlying RG flow. In this Letter, we begin to extend this idea to higher dimensions by showing that one can compute certain observables of an infinite set of unitary strongly interacting four-dimensional N=2 superconformal field theories (SCFTs) by performing simple calculations involving sets of nonunitary free four-dimensional hypermultiplets. These free fields are distant cousins of the Majorana fermion underlying the two-dimensional Ising model and are not obviously connected to our interacting theories via an RG flow. Rather surprisingly, this construction gives us Lagrangians for particular observables in certain subsectors of many "non-Lagrangian" SCFTs by sacrificing unitarity while preserving the full N=2 superconformal algebra. As a by-product, we find relations between characters in unitary and nonunitary affine Kac-Moody algebras. We conclude by commenting on possible generalizations of our construction.

Nonunitary Lagrangians and Unitary Non-Lagrangian Conformal Field Theories

NASA Astrophysics Data System (ADS)

Buican, Matthew; Laczko, Zoltan

2018-02-01

In various dimensions, we can sometimes compute observables of interacting conformal field theories (CFTs) that are connected to free theories via the renormalization group (RG) flow by computing protected quantities in the free theories. On the other hand, in two dimensions, it is often possible to algebraically construct observables of interacting CFTs using free fields without the need to explicitly construct an underlying RG flow. In this Letter, we begin to extend this idea to higher dimensions by showing that one can compute certain observables of an infinite set of unitary strongly interacting four-dimensional N =2 superconformal field theories (SCFTs) by performing simple calculations involving sets of nonunitary free four-dimensional hypermultiplets. These free fields are distant cousins of the Majorana fermion underlying the two-dimensional Ising model and are not obviously connected to our interacting theories via an RG flow. Rather surprisingly, this construction gives us Lagrangians for particular observables in certain subsectors of many "non-Lagrangian" SCFTs by sacrificing unitarity while preserving the full N =2 superconformal algebra. As a by-product, we find relations between characters in unitary and nonunitary affine Kac-Moody algebras. We conclude by commenting on possible generalizations of our construction.

CELFE: Coupled Eulerian-Lagrangian Finite Element program for high velocity impact. Part 1: Theory and formulation. [hydroelasto-viscoplastic model

NASA Technical Reports Server (NTRS)

Lee, C. H.

1978-01-01

A 3-D finite element program capable of simulating the dynamic behavior in the vicinity of the impact point, together with predicting the dynamic response in the remaining part of the structural component subjected to high velocity impact is discussed. The finite algorithm is formulated in a general moving coordinate system. In the vicinity of the impact point contained by a moving failure front, the relative velocity of the coordinate system will approach the material particle velocity. The dynamic behavior inside the region is described by Eulerian formulation based on a hydroelasto-viscoplastic model. The failure front which can be regarded as the boundary of the impact zone is described by a transition layer. The layer changes the representation from the Eulerian mode to the Lagrangian mode outside the failure front by varying the relative velocity of the coordinate system to zero. The dynamic response in the remaining part of the structure described by the Lagrangian formulation is treated using advanced structural analysis. An interfacing algorithm for coupling CELFE with NASTRAN is constructed to provide computational capabilities for large structures.

Three-Dimensional Numerical Analyses of Earth Penetration Dynamics

DTIC Science & Technology

1979-01-31

Lagrangian formulation based on the HEMP method and has been adapted and validated for treatment of normal-incidence (axisymmetric) impact and...code, is a detailed analysis of the structural response of the EPW. This analysis is generated using a nonlinear dynamic, elastic- plastic finite element...based on the HEMP scheme. Thus, the code has the same material modeling capabilities and abilities to track large scale motion found in the WAVE-L code

Scale dependence in species turnover reflects variance in species occupancy.

PubMed

McGlinn, Daniel J; Hurlbert, Allen H

2012-02-01

Patterns of species turnover may reflect the processes driving community dynamics across scales. While the majority of studies on species turnover have examined pairwise comparison metrics (e.g., the average Jaccard dissimilarity), it has been proposed that the species-area relationship (SAR) also offers insight into patterns of species turnover because these two patterns may be analytically linked. However, these previous links only apply in a special case where turnover is scale invariant, and we demonstrate across three different plant communities that over 90% of the pairwise turnover values are larger than expected based on scale-invariant predictions from the SAR. Furthermore, the degree of scale dependence in turnover was negatively related to the degree of variance in the occupancy frequency distribution (OFD). These findings suggest that species turnover diverges from scale invariance, and as such pairwise turnover and the slope of the SAR are not redundant. Furthermore, models developed to explain the OFD should be linked with those developed to explain species turnover to achieve a more unified understanding of community structure.

Lagrangian approach to understanding the origin of the gill-kinematics switch in mayfly nymphs.

PubMed

Chabreyrie, R; Balaras, E; Abdelaziz, K; Kiger, K

2014-12-01

The mayfly nymph breathes under water through an oscillating array of plate-shaped tracheal gills. As the nymph grows, the kinematics of these gills change abruptly from rowing to flapping. The classical fluid dynamics approach to consider the mayfly nymph as a pumping device fails in giving clear reasons for this switch. In order to shed some light on this switch between the two distinct kinematics, we analyze the problem under a Lagrangian viewpoint. We consider that a good Lagrangian transport that effectively distributes and stirs water and dissolved oxygen between and around the gills is the main goal of the gill motion. Using this Lagrangian approach, we are able to provide possible reasons behind the observed switch from rowing to flapping. More precisely, we conduct a series of in silico mayfly nymph experiments, where body shape, as well as gill shapes, structures, and kinematics are matched to those from in vivo. In this paper, we show both qualitatively and quantitatively how the change of kinematics enables better attraction, confinement, and stirring of water charged of dissolved oxygen inside the gills area. We reveal the attracting barriers to transport, i.e., attracting Lagrangian coherent structures, that form the transport skeleton between and around the gills. In addition, we quantify how well the fluid particles are stirred inside the gills area, which by extension leads us to conclude that it will increase the proneness of molecules of dissolved oxygen to be close enough to the gills for extraction.

A Dynamic Laplacian for Identifying Lagrangian Coherent Structures on Weighted Riemannian Manifolds

NASA Astrophysics Data System (ADS)

Froyland, Gary; Kwok, Eric

2017-06-01

Transport and mixing in dynamical systems are important properties for many physical, chemical, biological, and engineering processes. The detection of transport barriers for dynamics with general time dependence is a difficult, but important problem, because such barriers control how rapidly different parts of phase space (which might correspond to different chemical or biological agents) interact. The key factor is the growth of interfaces that partition phase space into separate regions. The paper Froyland (Nonlinearity 28(10):3587-3622, 2015) introduced the notion of dynamic isoperimetry: the study of sets with persistently small boundary size (the interface) relative to enclosed volume, when evolved by the dynamics. Sets with this minimal boundary size to volume ratio were identified as level sets of dominant eigenfunctions of a dynamic Laplace operator. In this present work we extend the results of Froyland (Nonlinearity 28(10):3587-3622, 2015) to the situation where the dynamics (1) is not necessarily volume preserving, (2) acts on initial agent concentrations different from uniform concentrations, and (3) occurs on a possibly curved phase space. Our main results include generalised versions of the dynamic isoperimetric problem, the dynamic Laplacian, Cheeger's inequality, and the Federer-Fleming theorem. We illustrate the computational approach with some simple numerical examples.

3-D Lagrangian-based investigations of the time-dependent cloud cavitating flows around a Clark-Y hydrofoil with special emphasis on shedding process analysis

NASA Astrophysics Data System (ADS)

Cheng, Huai-yu; Long, Xin-ping; Ji, Bin; Liu, Qi; Bai, Xiao-rui

2018-02-01

In the present paper, the unsteady cavitating flow around a 3-D Clark-Y hydrofoil is numerically investigated with the filter-based density correction model (FBDCM), a turbulence model and the Zwart-Gerber-Belamri (ZGB) cavitation model. A reasonable agreement is obtained between the numerical and experimental results. To study the complex flow structures more straightforwardly, a 3-D Lagrangian technology is developed, which can provide the particle tracks and the 3-D Lagrangian coherent structures (LCSs). Combined with the traditional methods based on the Eulerian viewpoint, this technology is used to analyze the attached cavity evolution and the re-entrant jet behavior in detail. At stage I, the collapse of the previous shedding cavity and the growth of a new attached cavity, the significant influence of the collapse both on the suction and pressure sides are captured quite well by the 3-D LCSs, which is underestimated by the traditional methods like the iso-surface of Q-criteria. As a kind of special LCSs, the arching LCSs are observed in the wake, induced by the counter-rotating vortexes. At stage II, with the development of the re-entrant jet, the influence of the cavitation on the pressure side is still not negligible. And with this 3-D Lagrangian technology, the tracks of the re-entrant jet are visualized clearly, moving from the trailing edge to the leading edge. Finally, at stage III, the re-entrant jet collides with the mainstream and finally induces the shedding. The cavitation evolution and the re-entrant jet movement in the whole cycle are well visualized with the 3-D Lagrangian technology. Moreover, the comparison between the LCSs obtained with 2-D and 3-D Lagrangian technologies indicates the advantages of the latter. It is demonstrated that the 3-D Lagrangian technology is a promising tool in the investigation of complex cavitating flows.

Scale-setting, flavor dependence, and chiral symmetry restoration

DOE PAGES

Binosi, D; Roberts, Craig D.; Rodriguez-Quintero, J.

2017-06-13

Here, we determine the flavor dependence of the renormalization-group-invariant running interaction through judicious use of both unquenched Dyson-Schwinger equation and lattice results for QCD’s gauge-sector two-point functions. An important step is the introduction of a physical scale setting procedure that enables a realistic expression of the effect of different numbers of active quark flavours on the interaction. Using this running interaction in concert with a well constrained class of dressed–gluon-quark vertices, we estimate the critical number of active lighter-quarks above which dynamical chiral symmetry breaking becomes impossible: n cr f ≈ 9; and hence in whose neighborhood QCD is plausiblymore » a conformal theory.« less

The Repeated Replacement Method: A Pure Lagrangian Meshfree Method for Computational Fluid Dynamics

PubMed Central

Walker, Wade A.

2012-01-01

In this paper we describe the repeated replacement method (RRM), a new meshfree method for computational fluid dynamics (CFD). RRM simulates fluid flow by modeling compressible fluids’ tendency to evolve towards a state of constant density, velocity, and pressure. To evolve a fluid flow simulation forward in time, RRM repeatedly “chops out” fluid from active areas and replaces it with new “flattened” fluid cells with the same mass, momentum, and energy. We call the new cells “flattened” because we give them constant density, velocity, and pressure, even though the chopped-out fluid may have had gradients in these primitive variables. RRM adaptively chooses the sizes and locations of the areas it chops out and replaces. It creates more and smaller new cells in areas of high gradient, and fewer and larger new cells in areas of lower gradient. This naturally leads to an adaptive level of accuracy, where more computational effort is spent on active areas of the fluid, and less effort is spent on inactive areas. We show that for common test problems, RRM produces results similar to other high-resolution CFD methods, while using a very different mathematical framework. RRM does not use Riemann solvers, flux or slope limiters, a mesh, or a stencil, and it operates in a purely Lagrangian mode. RRM also does not evaluate numerical derivatives, does not integrate equations of motion, and does not solve systems of equations. PMID:22866175

Solving large scale structure in ten easy steps with COLA

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

Tassev, Svetlin; Zaldarriaga, Matias; Eisenstein, Daniel J., E-mail: stassev@cfa.harvard.edu, E-mail: matiasz@ias.edu, E-mail: deisenstein@cfa.harvard.edu

2013-06-01

We present the COmoving Lagrangian Acceleration (COLA) method: an N-body method for solving for Large Scale Structure (LSS) in a frame that is comoving with observers following trajectories calculated in Lagrangian Perturbation Theory (LPT). Unlike standard N-body methods, the COLA method can straightforwardly trade accuracy at small-scales in order to gain computational speed without sacrificing accuracy at large scales. This is especially useful for cheaply generating large ensembles of accurate mock halo catalogs required to study galaxy clustering and weak lensing, as those catalogs are essential for performing detailed error analysis for ongoing and future surveys of LSS. As anmore » illustration, we ran a COLA-based N-body code on a box of size 100 Mpc/h with particles of mass ≈ 5 × 10{sup 9}M{sub s}un/h. Running the code with only 10 timesteps was sufficient to obtain an accurate description of halo statistics down to halo masses of at least 10{sup 11}M{sub s}un/h. This is only at a modest speed penalty when compared to mocks obtained with LPT. A standard detailed N-body run is orders of magnitude slower than our COLA-based code. The speed-up we obtain with COLA is due to the fact that we calculate the large-scale dynamics exactly using LPT, while letting the N-body code solve for the small scales, without requiring it to capture exactly the internal dynamics of halos. Achieving a similar level of accuracy in halo statistics without the COLA method requires at least 3 times more timesteps than when COLA is employed.« less

Physics in space-time with scale-dependent metrics

NASA Astrophysics Data System (ADS)

Balankin, Alexander S.

2013-10-01

We construct three-dimensional space Rγ3 with the scale-dependent metric and the corresponding Minkowski space-time Mγ,β4 with the scale-dependent fractal (DH) and spectral (DS) dimensions. The local derivatives based on scale-dependent metrics are defined and differential vector calculus in Rγ3 is developed. We state that Mγ,β4 provides a unified phenomenological framework for dimensional flow observed in quite different models of quantum gravity. Nevertheless, the main attention is focused on the special case of flat space-time M1/3,14 with the scale-dependent Cantor-dust-like distribution of admissible states, such that DH increases from DH=2 on the scale ≪ℓ0 to DH=4 in the infrared limit ≫ℓ0, where ℓ0 is the characteristic length (e.g. the Planck length, or characteristic size of multi-fractal features in heterogeneous medium), whereas DS≡4 in all scales. Possible applications of approach based on the scale-dependent metric to systems of different nature are briefly discussed.

Lagrangian methods for blood damage estimation in cardiovascular devices--How numerical implementation affects the results.

PubMed

Marom, Gil; Bluestein, Danny

2016-01-01

This paper evaluated the influence of various numerical implementation assumptions on predicting blood damage in cardiovascular devices using Lagrangian methods with Eulerian computational fluid dynamics. The implementation assumptions that were tested included various seeding patterns, stochastic walk model, and simplified trajectory calculations with pathlines. Post processing implementation options that were evaluated included single passage and repeated passages stress accumulation and time averaging. This study demonstrated that the implementation assumptions can significantly affect the resulting stress accumulation, i.e., the blood damage model predictions. Careful considerations should be taken in the use of Lagrangian models. Ultimately, the appropriate assumptions should be considered based the physics of the specific case and sensitivity analysis, similar to the ones presented here, should be employed.

Lagrangian methods for blood damage estimation in cardiovascular devices - How numerical implementation affects the results

PubMed Central

Marom, Gil; Bluestein, Danny

2016-01-01

Summary This paper evaluated the influence of various numerical implementation assumptions on predicting blood damage in cardiovascular devices using Lagrangian methods with Eulerian computational fluid dynamics. The implementation assumptions that were tested included various seeding patterns, stochastic walk model, and simplified trajectory calculations with pathlines. Post processing implementation options that were evaluated included single passage and repeated passages stress accumulation and time averaging. This study demonstrated that the implementation assumptions can significantly affect the resulting stress accumulation, i.e., the blood damage model predictions. Careful considerations should be taken in the use of Lagrangian models. Ultimately, the appropriate assumptions should be considered based the physics of the specific case and sensitivity analysis, similar to the ones presented here, should be employed. PMID:26679833

Scalar curvature of Lagrangian Riemannian submersions and their harmonicity

NASA Astrophysics Data System (ADS)

Eken Meri˙ç, Şemsi; Kiliç, Erol; Sağiroğlu, Yasemi˙n

In this paper, we consider a Lagrangian Riemannian submersion from a Hermitian manifold to a Riemannian manifold and establish some basic inequalities to obtain relationships between the intrinsic and extrinsic invariants for such a submersion. Indeed, using these inequalities, we provide necessary and sufficient conditions for which a Lagrangian Riemannian submersion π has totally geodesic or totally umbilical fibers. Moreover, we study the harmonicity of Lagrangian Riemannian submersions and obtain a characterization for such submersions to be harmonic.

Flow stagnation volume and abdominal aortic aneurysm growth: Insights from patient-specific computational flow dynamics of Lagrangian-coherent structures.

PubMed

Joly, Florian; Soulez, Gilles; Garcia, Damien; Lessard, Simon; Kauffmann, Claude

2018-01-01

Abdominal aortic aneurysms (AAA) are localized, commonly-occurring dilations of the aorta. When equilibrium between blood pressure (loading) and wall mechanical resistance is lost, rupture ensues, and patient death follows, if not treated immediately. Experimental and numerical analyses of flow patterns in arteries show direct correlations between wall shear stress and wall mechano-adaptation with the development of zones prone to thrombus formation. For further insights into AAA flow topology/growth interaction, a workout of patient-specific computational flow dynamics (CFD) is proposed to compute finite-time Lyapunov exponents and extract Lagrangian-coherent structures (LCS). This computational model was first compared with 4-D phase-contrast magnetic resonance imaging (MRI) in 5 patients. To better understand the impact of flow topology and transport on AAA growth, hyperbolic, repelling LCS were computed in 1 patient during 8-year follow-up, including 9 volumetric morphologic AAA measures by computed tomography-angiography (CTA). LCS defined barriers to Lagrangian jet cores entering AAA. Domains enclosed between LCS and the aortic wall were considered to be stagnation zones. Their evolution was studied during AAA growth. Good correlation - 2-D cross-correlation coefficients of 0.65, 0.86 and 0.082 (min, max, SD) - was obtained between numerical simulations and 4-D MRI acquisitions in 6 specific cross-sections from 4 patients. In follow-up study, LCS divided AAA lumens into 3 dynamically-isolated zones: 2 stagnation volumes lying in dilated portions of the AAA, and circulating volume connecting the inlet to the outlet. The volume of each zone was tracked over time. Although circulating volume remained unchanged during 8-year follow-up, the AAA lumen and main stagnation zones grew significantly (8 cm 3 /year and 6 cm 3 /year, respectively). This study reveals that transient transport topology can be quantified in patient-specific AAA during disease progression

Large scale dynamic systems

NASA Technical Reports Server (NTRS)

Doolin, B. F.

1975-01-01

Classes of large scale dynamic systems were discussed in the context of modern control theory. Specific examples discussed were in the technical fields of aeronautics, water resources and electric power.

Robustness and Vulnerability of Networks with Dynamical Dependency Groups.

PubMed

Bai, Ya-Nan; Huang, Ning; Wang, Lei; Wu, Zhi-Xi

2016-11-28

The dependency property and self-recovery of failure nodes both have great effects on the robustness of networks during the cascading process. Existing investigations focused mainly on the failure mechanism of static dependency groups without considering the time-dependency of interdependent nodes and the recovery mechanism in reality. In this study, we present an evolving network model consisting of failure mechanisms and a recovery mechanism to explore network robustness, where the dependency relations among nodes vary over time. Based on generating function techniques, we provide an analytical framework for random networks with arbitrary degree distribution. In particular, we theoretically find that an abrupt percolation transition exists corresponding to the dynamical dependency groups for a wide range of topologies after initial random removal. Moreover, when the abrupt transition point is above the failure threshold of dependency groups, the evolving network with the larger dependency groups is more vulnerable; when below it, the larger dependency groups make the network more robust. Numerical simulations employing the Erdős-Rényi network and Barabási-Albert scale free network are performed to validate our theoretical results.

Scalable Methods for Eulerian-Lagrangian Simulation Applied to Compressible Multiphase Flows

NASA Astrophysics Data System (ADS)

Zwick, David; Hackl, Jason; Balachandar, S.

2017-11-01

Multiphase flows can be found in countless areas of physics and engineering. Many of these flows can be classified as dispersed two-phase flows, meaning that there are solid particles dispersed in a continuous fluid phase. A common technique for simulating such flow is the Eulerian-Lagrangian method. While useful, this method can suffer from scaling issues on larger problem sizes that are typical of many realistic geometries. Here we present scalable techniques for Eulerian-Lagrangian simulations and apply it to the simulation of a particle bed subjected to expansion waves in a shock tube. The results show that the methods presented here are viable for simulation of larger problems on modern supercomputers. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship under Grant No. DGE-1315138. This work was supported in part by the U.S. Department of Energy under Contract No. DE-NA0002378.

Bayesian Nonlinear Assimilation of Eulerian and Lagrangian Coastal Flow Data

DTIC Science & Technology

2015-09-30

Lagrangian Coastal Flow Data Dr. Pierre F.J. Lermusiaux Department of Mechanical Engineering Center for Ocean Science and Engineering Massachusetts...Develop and apply theory, schemes and computational systems for rigorous Bayesian nonlinear assimilation of Eulerian and Lagrangian coastal flow data...coastal ocean fields, both in Eulerian and Lagrangian forms. - Further develop and implement our GMM-DO schemes for robust Bayesian nonlinear estimation

From global scaling to the dynamics of individual cities

NASA Astrophysics Data System (ADS)

Depersin, Jules; Barthelemy, Marc

2018-03-01

Scaling has been proposed as a powerful tool to analyze the properties of complex systems and in particular for cities where it describes how various properties change with population. The empirical study of scaling on a wide range of urban datasets displays apparent nonlinear behaviors whose statistical validity and meaning were recently the focus of many debates. We discuss here another aspect, which is the implication of such scaling forms on individual cities and how they can be used for predicting the behavior of a city when its population changes. We illustrate this discussion in the case of delay due to traffic congestion with a dataset of 101 US cities in the years 1982–2014. We show that the scaling form obtained by agglomerating all of the available data for different cities and for different years does display a nonlinear behavior, but which appears to be unrelated to the dynamics of individual cities when their population grows. In other words, the congestion-induced delay in a given city does not depend on its population only, but also on its previous history. This strong path dependency prohibits the existence of a simple scaling form valid for all cities and shows that we cannot always agglomerate the data for many different systems. More generally, these results also challenge the use of transversal data for understanding longitudinal series for cities.

A majorized Newton-CG augmented Lagrangian-based finite element method for 3D restoration of geological models

NASA Astrophysics Data System (ADS)

Tang, Peipei; Wang, Chengjing; Dai, Xiaoxia

2016-04-01

In this paper, we propose a majorized Newton-CG augmented Lagrangian-based finite element method for 3D elastic frictionless contact problems. In this scheme, we discretize the restoration problem via the finite element method and reformulate it to a constrained optimization problem. Then we apply the majorized Newton-CG augmented Lagrangian method to solve the optimization problem, which is very suitable for the ill-conditioned case. Numerical results demonstrate that the proposed method is a very efficient algorithm for various large-scale 3D restorations of geological models, especially for the restoration of geological models with complicated faults.

Importance of curvature evaluation scale for predictive simulations of dynamic gas-liquid interfaces

NASA Astrophysics Data System (ADS)

Owkes, Mark; Cauble, Eric; Senecal, Jacob; Currie, Robert A.

2018-07-01

The effect of the scale used to compute the interfacial curvature on the prediction of dynamic gas-liquid interfaces is investigated. A new interface curvature calculation methodology referred to herein as the Adjustable Curvature Evaluation Scale (ACES) is proposed. ACES leverages a weighted least squares regression to fit a polynomial through points computed on the volume-of-fluid representation of the gas-liquid interface. The interface curvature is evaluated from this polynomial. Varying the least squares weight with distance from the location where the curvature is being computed, adjusts the scale the curvature is evaluated on. ACES is verified using canonical static test cases and compared against second- and fourth-order height function methods. Simulations of dynamic interfaces, including a standing wave and oscillating droplet, are performed to assess the impact of the curvature evaluation scale for predicting interface motions. ACES and the height function methods are combined with two different unsplit geometric volume-of-fluid (VoF) schemes that define the interface on meshes with different levels of refinement. We find that the results depend significantly on curvature evaluation scale. Particularly, the ACES scheme with a properly chosen weight function is accurate, but fails when the scale is too small or large. Surprisingly, the second-order height function method is more accurate than the fourth-order variant for the dynamic tests even though the fourth-order method performs better for static interfaces. Comparing the curvature evaluation scale of the second- and fourth-order height function methods, we find the second-order method is closer to the optimum scale identified with ACES. This result suggests that the curvature scale is driving the accuracy of the dynamics. This work highlights the importance of studying numerical methods with realistic (dynamic) test cases and that the interactions of the various discretizations is as important as the

Euler-Lagrangian computation for estuarine hydrodynamics

USGS Publications Warehouse

Cheng, Ralph T.

1983-01-01

The transport of conservative and suspended matter in fluid flows is a phenomenon of Lagrangian nature because the process is usually convection dominant. Nearly all numerical investigations of such problems use an Eulerian formulation for the convenience that the computational grids are fixed in space and because the vast majority of field data are collected in an Eulerian reference frame. Several examples are given in this paper to illustrate a modeling approach which combines the advantages of both the Eulerian and Lagrangian computational techniques.

Dynamic stall reattachment revisited

NASA Astrophysics Data System (ADS)

Mulleners, Karen

2017-11-01

Dynamic stall on pitching airfoils is an important practical problem that affects for example rotary wing aircraft and wind turbines. It also comprises a number of interesting fundamental fluid dynamical phenomena such as unsteady flow separation, vortex formation and shedding, unsteady flow reattachment, and dynamic hysteresis. Following up on past efforts focussing on the separation development, we now revisited the flow reattachment or stall recovery process. Experimental time-resolved velocity field and surface pressure data for a two-dimensional sinusoidally pitching airfoil with various reduced frequencies was analysed using different Eulerian, Lagrangian, and modal decomposition methods. This complementary analysis resulted in the identification of the chain of events that play a role in the flow reattachment process, a detailed description of that role, and characterisation of the individual events by the governing time-scales and flow features.

Refined gradient theory of scale-dependent superthin rods

NASA Astrophysics Data System (ADS)

Lurie, S. A.; Kuznetsova, E. L.; Rabinskii, L. N.; Popova, E. I.

2015-03-01

A version of the refined nonclassical theory of thin beams whose thickness is comparable with the scale characteristic of the material structure is constructed on the basis of the gradient theory of elasticity which, in contrast to the classical theory, contains some additional physical characteristics depending on the structure scale parameters and is therefore most appropriate for modeling the strains of scale-dependent systems. The fundamental conditions for the well-posedness of the gradient theories are obtained for the first time, and it is shown that some of the known applied gradient theories do not generally satisfy the well-posedness criterion. A version of the well-posed gradient strain theory which satisfies the symmetry condition is proposed. The well-posed gradient theory is then used to implement the method of kinematic hypotheses for constructing a refined theory of scale-dependent beams. The equilibrium equations of the refined theory of scale-dependent Timoshenko and Bernoulli beams are obtained. It is shown that the scale effects are localized near the beam ends, and therefore, taking the scale effects into account does not give any correction to the bending rigidity of long beams as noted in the previously published papers dealing with the scale-dependent beams.

The Gaussian streaming model and convolution Lagrangian effective field theory

DOE PAGES

Vlah, Zvonimir; Castorina, Emanuele; White, Martin

2016-12-05

We update the ingredients of the Gaussian streaming model (GSM) for the redshift-space clustering of biased tracers using the techniques of Lagrangian perturbation theory, effective field theory (EFT) and a generalized Lagrangian bias expansion. After relating the GSM to the cumulant expansion, we present new results for the real-space correlation function, mean pairwise velocity and pairwise velocity dispersion including counter terms from EFT and bias terms through third order in the linear density, its leading derivatives and its shear up to second order. We discuss the connection to the Gaussian peaks formalism. We compare the ingredients of the GSM tomore » a suite of large N-body simulations, and show the performance of the theory on the low order multipoles of the redshift-space correlation function and power spectrum. We highlight the importance of a general biasing scheme, which we find to be as important as higher-order corrections due to non-linear evolution for the halos we consider on the scales of interest to us.« less

The Gaussian streaming model and convolution Lagrangian effective field theory

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

Vlah, Zvonimir; Castorina, Emanuele; White, Martin, E-mail: zvlah@stanford.edu, E-mail: ecastorina@berkeley.edu, E-mail: mwhite@berkeley.edu

We update the ingredients of the Gaussian streaming model (GSM) for the redshift-space clustering of biased tracers using the techniques of Lagrangian perturbation theory, effective field theory (EFT) and a generalized Lagrangian bias expansion. After relating the GSM to the cumulant expansion, we present new results for the real-space correlation function, mean pairwise velocity and pairwise velocity dispersion including counter terms from EFT and bias terms through third order in the linear density, its leading derivatives and its shear up to second order. We discuss the connection to the Gaussian peaks formalism. We compare the ingredients of the GSM tomore » a suite of large N-body simulations, and show the performance of the theory on the low order multipoles of the redshift-space correlation function and power spectrum. We highlight the importance of a general biasing scheme, which we find to be as important as higher-order corrections due to non-linear evolution for the halos we consider on the scales of interest to us.« less

Dynamics of proteins aggregation. I. Universal scaling in unbounded media

NASA Astrophysics Data System (ADS)

Zheng, Size; Javidpour, Leili; Shing, Katherine S.; Sahimi, Muhammad

2016-10-01

It is well understood that in some cases proteins do not fold correctly and, depending on their environment, even properly-folded proteins change their conformation spontaneously, taking on a misfolded state that leads to protein aggregation and formation of large aggregates. An important factor that contributes to the aggregation is the interactions between the misfolded proteins. Depending on the aggregation environment, the aggregates may take on various shapes forming larger structures, such as protein plaques that are often toxic. Their deposition in tissues is a major contributing factor to many neuro-degenerative diseases, such as Alzheimer's, Parkinson's, amyotrophic lateral sclerosis, and prion. This paper represents the first part in a series devoted to molecular simulation of protein aggregation. We use the PRIME, a meso-scale model of proteins, together with extensive discontinuous molecular dynamics simulation to study the aggregation process in an unbounded fluid system, as the first step toward MD simulation of the same phenomenon in crowded cellular environments. Various properties of the aggregates have been computed, including dynamic evolution of aggregate-size distribution, mean aggregate size, number of peptides that contribute to the formation of β sheets, number of various types of hydrogen bonds formed in the system, radius of gyration of the aggregates, and the aggregates' diffusivity. We show that many of such quantities follow dynamic scaling, similar to those for aggregation of colloidal clusters. In particular, at long times the mean aggregate size S(t) grows with time as, S(t) ˜ tz, where z is the dynamic exponent. To our knowledge, this is the first time that the qualitative similarity between aggregation of proteins and colloidal aggregates has been pointed out.

An Extended Lagrangian Method

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing

1995-01-01

A unique formulation of describing fluid motion is presented. The method, referred to as 'extended Lagrangian method,' is interesting from both theoretical and numerical points of view. The formulation offers accuracy in numerical solution by avoiding numerical diffusion resulting from mixing of fluxes in the Eulerian description. The present method and the Arbitrary Lagrangian-Eulerian (ALE) method have a similarity in spirit-eliminating the cross-streamline numerical diffusion. For this purpose, we suggest a simple grid constraint condition and utilize an accurate discretization procedure. This grid constraint is only applied to the transverse cell face parallel to the local stream velocity, and hence our method for the steady state problems naturally reduces to the streamline-curvature method, without explicitly solving the steady stream-coordinate equations formulated a priori. Unlike the Lagrangian method proposed by Loh and Hui which is valid only for steady supersonic flows, the present method is general and capable of treating subsonic flows and supersonic flows as well as unsteady flows, simply by invoking in the same code an appropriate grid constraint suggested in this paper. The approach is found to be robust and stable. It automatically adapts to flow features without resorting to clustering, thereby maintaining rather uniform grid spacing throughout and large time step. Moreover, the method is shown to resolve multi-dimensional discontinuities with a high level of accuracy, similar to that found in one-dimensional problems.

Scale-invariant fluctuations from Galilean genesis

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

Wang, Yi; Brandenberger, Robert, E-mail: wangyi@physics.mcgill.ca, E-mail: rhb@physics.mcgill.ca

2012-10-01

We study the spectrum of cosmological fluctuations in scenarios such as Galilean Genesis \\cite(Nicolis) in which a spectator scalar field acquires a scale-invariant spectrum of perturbations during an early phase which asymptotes in the far past to Minkowski space-time. In the case of minimal coupling to gravity and standard scalar field Lagrangian, the induced curvature fluctuations depend quadratically on the spectator field and are hence non-scale-invariant and highly non-Gaussian. We show that if higher dimensional operators (the same operators that lead to the η-problem for inflation) are considered, a linear coupling between background and spectator field fluctuations is induced whichmore » leads to scale-invariant and Gaussian curvature fluctuations.« less

Detecting reactive islands using Lagrangian descriptors and the relevance to transition path sampling.

PubMed

Patra, Sarbani; Keshavamurthy, Srihari

2018-02-14

It has been known for sometime now that isomerization reactions, classically, are mediated by phase space structures called reactive islands (RI). RIs provide one possible route to correct for the nonstatistical effects in the reaction dynamics. In this work, we map out the reactive islands for the two dimensional Müller-Brown model potential and show that the reactive islands are intimately linked to the issue of rare event sampling. In particular, we establish the sensitivity of the so called committor probabilities, useful quantities in the transition path sampling technique, to the hierarchical RI structures. Mapping out the RI structure for high dimensional systems, however, is a challenging task. Here, we show that the technique of Lagrangian descriptors is able to effectively identify the RI hierarchy in the model system. Based on our results, we suggest that the Lagrangian descriptors can be useful for detecting RIs in high dimensional systems.

Length scale dependence of the dynamic properties of hyaluronic acid solutions in the presence of salt.

PubMed

Horkay, Ferenc; Falus, Peter; Hecht, Anne-Marie; Geissler, Erik

2010-12-02

In solutions of the charged semirigid biopolymer hyaluronic acid in salt-free conditions, the diffusion coefficient D(NSE) measured at high transfer momentum q by neutron spin echo is more than an order of magnitude smaller than that determined by dynamic light scattering, D(DLS). This behavior contrasts with neutral polymer solutions. With increasing salt content, D(DLS) approaches D(NSE), which is independent of ionic strength. Contrary to theoretical expectation, the ion-polymer coupling, which dominates the low q dynamics of polyelectrolyte solutions, already breaks down at distance scales greater than the Debye-Hückel length.

An extended Lagrangian method

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing

1993-01-01

A unique formulation of describing fluid motion is presented. The method, referred to as 'extended Lagrangian method', is interesting from both theoretical and numerical points of view. The formulation offers accuracy in numerical solution by avoiding numerical diffusion resulting from mixing of fluxes in the Eulerian description. Meanwhile, it also avoids the inaccuracy incurred due to geometry and variable interpolations used by the previous Lagrangian methods. The present method is general and capable of treating subsonic flows as well as supersonic flows. The method proposed in this paper is robust and stable. It automatically adapts to flow features without resorting to clustering, thereby maintaining rather uniform grid spacing throughout and large time step. Moreover, the method is shown to resolve multidimensional discontinuities with a high level of accuracy, similar to that found in 1D problems.

Experimental study of stable imbibition displacements in a model open fracture. II. Scale-dependent avalanche dynamics

NASA Astrophysics Data System (ADS)

Clotet, Xavier; Santucci, Stéphane; Ortín, Jordi

2016-01-01

We report the results of an experimental investigation of the spatiotemporal dynamics of stable imbibition fronts in a disordered medium, in the regime of capillary disorder, for a wide range of experimental conditions. We have used silicone oils of various viscosities μ and nearly identical oil-air surface tension, and forced them to slowly invade a model open fracture at very different flow rates v . In this second part of the study we have carried out a scale-dependent statistical analysis of the front dynamics. We have specifically analyzed the influence of μ and v on the statistical properties of the velocity Vℓ, the spatial average of the local front velocities over a window of lateral size ℓ . We have varied ℓ from the local scale defined by our spatial resolution up to the lateral system size L . Even though the imposed flow rate is constant, the signals Vℓ(t ) present very strong fluctuations which evolve systematically with the parameters μ , v , and ℓ . We have verified that the non-Gaussian fluctuations of the global velocity Vℓ(t ) are very well described by a generalized Gumbel statistics. The asymmetric shape and the exponential tail of those distributions are controlled by the number of effective degrees of freedom of the imbibition fronts, given by Neff=ℓ /ℓc (the ratio of the lateral size of the measuring window ℓ to the correlation length ℓc˜1 /√{μ v } ). The large correlated excursions of Vℓ(t ) correspond to global avalanches, which reflect extra displacements of the imbibition fronts. We show that global avalanches are power-law distributed, both in sizes and durations, with robustly defined exponents—independent of μ , v , and ℓ . Nevertheless, the exponential upper cutoffs of the distributions evolve systematically with those parameters. We have found, moreover, that maximum sizes ξS and maximum durations ξT of global avalanches are not controlled by the same mechanism. While ξS are also determined by �

Mean Lagrangian drift in continental shelf waves

NASA Astrophysics Data System (ADS)

Drivdal, M.; Weber, J. E. H.

2012-04-01

The time- and depth-averaged mean drift induced by barotropic continental shelf waves (CSW's) is studied theoretically for idealized shelf topography by calculating the mean volume fluxes to second order in wave amplitude. The waves suffer weak spatial damping due to bottom friction, which leads to radiation stress forcing of the mean fluxes. In terms of the total wave energy density E¯ over the shelf region, the radiation stress tensor component S¯11 for CSW's is found to be different from that of shallow water surface waves in a non-rotating ocean. For CSW's, the ratio ¯S11/¯E depends strongly on the wave number. The mean Lagrangian flow forced by the radiation stress can be subdivided into a Stokes drift and a mean Eulerian drift current. The magnitude of the latter depends on the ratio between the radiation stress and the bottom stress acting on the mean flow. When the effect of bottom friction acts equally strong on the waves and the mean current, calculations for short CSW's show that the Stokes drift and the friction-dependent wave-induced mean Eulerian current varies approximately in anti-phase over the shelf, and that the latter is numerically the largest. For long CSW's they are approximately in phase. In both cases the mean Lagrangian current, which is responsible for the net particle drift, has its largest numerical value at the coast on the shallow part of the shelf. Enhancing the effect of bottom friction on the Eulerian mean flow, results in a general current speed reduction, as well as a change in spatial structure for long waves. Applying realistic physical parameters for the continental shelf west of Norway, calculations yield along-shelf mean drift velocities for short CSW's that may be important for the transport of biological material, neutral tracers, and underwater plumes of dissolved oil from deep water drilling accidents.

Activity-Dependence of Synaptic Vesicle Dynamics

PubMed Central

Forte, Luca A.

2017-01-01

The proper function of synapses relies on efficient recycling of synaptic vesicles. The small size of synaptic boutons has hampered efforts to define the dynamical states of vesicles during recycling. Moreover, whether vesicle motion during recycling is regulated by neural activity remains largely unknown. We combined nanoscale-resolution tracking of individual synaptic vesicles in cultured hippocampal neurons from rats of both sexes with advanced motion analyses to demonstrate that the majority of recently endocytosed vesicles undergo sequences of transient dynamical states including epochs of directed, diffusional, and stalled motion. We observed that vesicle motion is modulated in an activity-dependent manner, with dynamical changes apparent in ∼20% of observed boutons. Within this subpopulation of boutons, 35% of observed vesicles exhibited acceleration and 65% exhibited deceleration, accompanied by corresponding changes in directed motion. Individual vesicles observed in the remaining ∼80% of boutons did not exhibit apparent dynamical changes in response to stimulation. More quantitative transient motion analyses revealed that the overall reduction of vesicle mobility, and specifically of the directed motion component, is the predominant activity-evoked change across the entire bouton population. Activity-dependent modulation of vesicle mobility may represent an important mechanism controlling vesicle availability and neurotransmitter release. SIGNIFICANCE STATEMENT Mechanisms governing synaptic vesicle dynamics during recycling remain poorly understood. Using nanoscale resolution tracking of individual synaptic vesicles in hippocampal synapses and advanced motion analysis tools we demonstrate that synaptic vesicles undergo complex sets of dynamical states that include epochs of directed, diffusive, and stalled motion. Most importantly, our analyses revealed that vesicle motion is modulated in an activity-dependent manner apparent as the reduction in

Atomic-scale structural signature of dynamic heterogeneities in metallic liquids

NASA Astrophysics Data System (ADS)

Pasturel, Alain; Jakse, Noel

2017-08-01

With sufficiently high cooling rates, liquids will cross their equilibrium melting temperatures and can be maintained in a metastable undercooled state before solidifying. Studies of undercooled liquids reveal several intriguing dynamic phenomena and because explicit connections between liquid structure and liquids dynamics are difficult to identify, it remains a major challenge to capture the underlying structural link to these phenomena. Ab initio molecular dynamics (AIMD) simulations are yet especially powerful in providing atomic-scale details otherwise not accessible in experiments. Through the AIMD-based study of Cr additions in Al-based liquids, we evidence for the first time a close relationship between the decoupling of component diffusion and the emergence of dynamic heterogeneities in the undercooling regime. In addition, we demonstrate that the origin of both phenomena is related to a structural heterogeneity caused by a strong interplay between chemical short-range order (CSRO) and local fivefold topology (ISRO) at the short-range scale in the liquid phase that develops into an icosahedral-based medium-range order (IMRO) upon undercooling. Finally, our findings reveal that this structural signature is also captured in the temperature dependence of partial pair-distribution functions which opens up the route to more elaborated experimental studies.

Nanoflares, Spicules, and Other Small-Scale Dynamic Phenomena on the Sun

NASA Technical Reports Server (NTRS)

Klimchuk, James

2010-01-01

There is abundant evidence of highly dynamic phenomena occurring on very small scales in the solar atmosphere. For example, the observed pr operties of many coronal loops can only be explained if the loops are bundles of unresolved strands that are heated impulsively by nanoflares. Type II spicules recently discovered by Hinode are an example of small-scale impulsive events occurring in the chromosphere. The exist ence of these and other small-scale phenomena is not surprising given the highly structured nature of the magnetic field that is revealed by photospheric observations. Dynamic phenomena also occur on much lar ger scales, including coronal jets, flares, and CMEs. It is tempting to suggest that these different phenomena are all closely related and represent a continuous distribution of sizes and energies. However, this is a dangerous over simplification in my opinion. While it is tru e that the phenomena all involve "magnetic reconnection" (the changin g of field line connectivity) in some form, how this occurs depends s trongly on the magnetic geometry. A nanoflare resulting from the interaction of tangled magnetic strands within a confined coronal loop is much different from a major flare occurring at the current sheet form ed when a CME rips open an active region. I will review the evidence for ubiquitous small-scale dynamic phenomena on the Sun and discuss wh y different phenomena are not all fundamentally the same.

Fine-scale population dynamics in a marine fish species inferred from dynamic state-space models.

PubMed

Rogers, Lauren A; Storvik, Geir O; Knutsen, Halvor; Olsen, Esben M; Stenseth, Nils C

2017-07-01

Identifying the spatial scale of population structuring is critical for the conservation of natural populations and for drawing accurate ecological inferences. However, population studies often use spatially aggregated data to draw inferences about population trends and drivers, potentially masking ecologically relevant population sub-structure and dynamics. The goals of this study were to investigate how population dynamics models with and without spatial structure affect inferences on population trends and the identification of intrinsic drivers of population dynamics (e.g. density dependence). Specifically, we developed dynamic, age-structured, state-space models to test different hypotheses regarding the spatial structure of a population complex of coastal Atlantic cod (Gadus morhua). Data were from a 93-year survey of juvenile (age 0 and 1) cod sampled along >200 km of the Norwegian Skagerrak coast. We compared two models: one which assumes all sampled cod belong to one larger population, and a second which assumes that each fjord contains a unique population with locally determined dynamics. Using the best supported model, we then reconstructed the historical spatial and temporal dynamics of Skagerrak coastal cod. Cross-validation showed that the spatially structured model with local dynamics had better predictive ability. Furthermore, posterior predictive checks showed that a model which assumes one homogeneous population failed to capture the spatial correlation pattern present in the survey data. The spatially structured model indicated that population trends differed markedly among fjords, as did estimates of population parameters including density-dependent survival. Recent biomass was estimated to be at a near-record low all along the coast, but the finer scale model indicated that the decline occurred at different times in different regions. Warm temperatures were associated with poor recruitment, but local changes in habitat and fishing pressure may

An Eulerian/Lagrangian coupling procedure for three-dimensional vortical flows

NASA Technical Reports Server (NTRS)

Felici, Helene M.; Drela, Mark

1993-01-01

A coupled Eulerian/Lagrangian method is presented for the reduction of numerical diffusion observed in solutions of 3D vortical flows using standard Eulerian finite-volume time-marching procedures. A Lagrangian particle tracking method, added to the Eulerian time-marching procedure, provides a correction of the Eulerian solution. In turn, the Eulerian solution is used to integrate the Lagrangian state-vector along the particles trajectories. While the Eulerian solution ensures the conservation of mass and sets the pressure field, the particle markers describe accurately the convection properties and enhance the vorticity and entropy capturing capabilities of the Eulerian solver. The Eulerian/Lagrangian coupling strategies are discussed and the combined scheme is tested on a constant stagnation pressure flow in a 90 deg bend and on a swirling pipe flow. As the numerical diffusion is reduced when using the Lagrangian correction, a vorticity gradient augmentation is identified as a basic problem of this inviscid calculation.

A study of two subgrid-scale models and their effects on wake breakdown behind a wind turbine in uniform inflow

NASA Astrophysics Data System (ADS)

Martinez, Luis; Meneveau, Charles

2014-11-01

Large Eddy Simulations (LES) of the flow past a single wind turbine with uniform inflow have been performed. A goal of the simulations is to compare two turbulence subgrid-scale models and their effects in predicting the initial breakdown, transition and evolution of the wake behind the turbine. Prior works have often observed negligible sensitivities to subgrid-scale models. The flow is modeled using an in-house LES with pseudo-spectral discretization in horizontal planes and centered finite differencing in the vertical direction. Turbines are represented using the actuator line model. We compare the standard constant-coefficient Smagorinsky subgrid-scale model with the Lagrangian Scale Dependent Dynamic model (LSDM). The LSDM model predicts faster transition to turbulence in the wake, whereas the standard Smagorinsky model predicts significantly delayed transition. The specified Smagorinsky coefficient is larger than the dynamic one on average, increasing diffusion thus delaying transition. A second goal is to compare the resulting near-blade properties such as local aerodynamic forces from the LES with Blade Element Momentum Theory. Results will also be compared with those of the SOWFA package, the wind energy CFD framework from NREL. This work is supported by NSF (IGERT and IIA-1243482) and computations use XSEDE resources, and has benefitted from interactions with Dr. M. Churchfield of NREL.

Extended hamiltonian formalism and Lorentz-violating lagrangians

NASA Astrophysics Data System (ADS)

Colladay, Don

2017-09-01

A new perspective on the classical mechanical formulation of particle trajectories in Lorentz-violating theories is presented. Using the extended hamiltonian formalism, a Legendre Transformation between the associated covariant lagrangian and hamiltonian varieties is constructed. This approach enables calculation of trajectories using Hamilton's equations in momentum space and the Euler-Lagrange equations in velocity space away from certain singular points that arise in the theory. Singular points are naturally de-singularized by requiring the trajectories to be smooth functions of both velocity and momentum variables. In addition, it is possible to identify specific sheets of the dispersion relations that correspond to specific solutions for the lagrangian. Examples corresponding to bipartite Finsler functions are computed in detail. A direct connection between the lagrangians and the field-theoretic solutions to the Dirac equation is also established for a special case.

Adaptive reconnection-based arbitrary Lagrangian Eulerian method

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

Bo, Wurigen; Shashkov, Mikhail

We present a new adaptive Arbitrary Lagrangian Eulerian (ALE) method. This method is based on the reconnection-based ALE (ReALE) methodology of Refs. [35], [34] and [6]. The main elements in a standard ReALE method are: an explicit Lagrangian phase on an arbitrary polygonal (in 2D) mesh in which the solution and positions of grid nodes are updated; a rezoning phase in which a new grid is defined by changing the connectivity (using Voronoi tessellation) but not the number of cells; and a remapping phase in which the Lagrangian solution is transferred onto the new grid. Furthermore, in the standard ReALEmore » method, the rezoned mesh is smoothed by using one or several steps toward centroidal Voronoi tessellation, but it is not adapted to the solution in any way.« less

Adaptive reconnection-based arbitrary Lagrangian Eulerian method

DOE PAGES

Bo, Wurigen; Shashkov, Mikhail

2015-07-21

We present a new adaptive Arbitrary Lagrangian Eulerian (ALE) method. This method is based on the reconnection-based ALE (ReALE) methodology of Refs. [35], [34] and [6]. The main elements in a standard ReALE method are: an explicit Lagrangian phase on an arbitrary polygonal (in 2D) mesh in which the solution and positions of grid nodes are updated; a rezoning phase in which a new grid is defined by changing the connectivity (using Voronoi tessellation) but not the number of cells; and a remapping phase in which the Lagrangian solution is transferred onto the new grid. Furthermore, in the standard ReALEmore » method, the rezoned mesh is smoothed by using one or several steps toward centroidal Voronoi tessellation, but it is not adapted to the solution in any way.« less

Modified relativistic dynamics

NASA Astrophysics Data System (ADS)

Qadir, Asghar; Lee, Hyung Won; Kim, Kyoung Yee

One of the major problems in Cosmology is the fact that there is no good candidate of dark matter in the Standard Model of Particle Physics or any experimentally supported modifications of it. At the same time, one of the major problems of General Relativity is that it cannot be unified with Quantum Theory. Here, we present a program to see if there is not a common source of both problems. The idea is that an interaction term between matter fields and the gravitational field in the total Lagrangian, analogous to that for Electromagnetism, could possibly provide the dynamical effect for which the dark matter is postulated, on the one hand and a Quantum-Field Theory (QFT) incorporating Gravity, that does not have unmanageable divergences, on the other. One could first check that the modified relativistic dynamics, if fitted for the dark matter in individual galaxies fits also for systems and clusters of galaxies, at all scales. If there is no problem with the explanation of the dynamics usually explained by dark matter at all scales, we could check if it leads to a workable QFT of Relativity.

Lagrangian Formulation of a Magnetostatic Field in the Presence of a Minimal Length Scale Based on the Kempf Algebra

NASA Astrophysics Data System (ADS)

Moayedi, S. K.; Setare, M. R.; Khosropour, B.

2013-11-01

In the 1990s, Kempf and his collaborators Mangano and Mann introduced a D-dimensional (β, β‧)-two-parameter deformed Heisenberg algebra which leads to an isotropic minimal length (\\triangle Xi)\\min = \\hbar √ {Dβ +β '}, \\forall i\\in \\{1, 2, ..., D\\}. In this work, the Lagrangian formulation of a magnetostatic field in three spatial dimensions (D = 3) described by Kempf algebra is presented in the special case of β‧ = 2β up to the first-order over β. We show that at the classical level there is a similarity between magnetostatics in the presence of a minimal length scale (modified magnetostatics) and the magnetostatic sector of the Abelian Lee-Wick model in three spatial dimensions. The integral form of Ampere's law and the energy density of a magnetostatic field in the modified magnetostatics are obtained. Also, the Biot-Savart law in the modified magnetostatics is found. By studying the effect of minimal length corrections to the gyromagnetic moment of the muon, we conclude that the upper bound on the isotropic minimal length scale in three spatial dimensions is 4.42×10-19 m. The relationship between magnetostatics with a minimal length and the Gaete-Spallucci nonlocal magnetostatics [J. Phys. A: Math. Theor. 45, 065401 (2012)] is investigated.

Task-dependent recurrent dynamics in visual cortex

PubMed Central

Tajima, Satohiro; Koida, Kowa; Tajima, Chihiro I; Suzuki, Hideyuki; Aihara, Kazuyuki; Komatsu, Hidehiko

2017-01-01

The capacity for flexible sensory-action association in animals has been related to context-dependent attractor dynamics outside the sensory cortices. Here, we report a line of evidence that flexibly modulated attractor dynamics during task switching are already present in the higher visual cortex in macaque monkeys. With a nonlinear decoding approach, we can extract the particular aspect of the neural population response that reflects the task-induced emergence of bistable attractor dynamics in a neural population, which could be obscured by standard unsupervised dimensionality reductions such as PCA. The dynamical modulation selectively increases the information relevant to task demands, indicating that such modulation is beneficial for perceptual decisions. A computational model that features nonlinear recurrent interaction among neurons with a task-dependent background input replicates the key properties observed in the experimental data. These results suggest that the context-dependent attractor dynamics involving the sensory cortex can underlie flexible perceptual abilities. DOI: http://dx.doi.org/10.7554/eLife.26868.001 PMID:28737487

Scale dependent inference in landscape genetics

Treesearch

Samuel A. Cushman; Erin L. Landguth

2010-01-01

Ecological relationships between patterns and processes are highly scale dependent. This paper reports the first formal exploration of how changing scale of research away from the scale of the processes governing gene flow affects the results of landscape genetic analysis. We used an individual-based, spatially explicit simulation model to generate patterns of genetic...

Large Scale, High Resolution, Mantle Dynamics Modeling

NASA Astrophysics Data System (ADS)

Geenen, T.; Berg, A. V.; Spakman, W.

2007-12-01

To model the geodynamic evolution of plate convergence, subduction and collision and to allow for a connection to various types of observational data, geophysical, geodetical and geological, we developed a 4D (space-time) numerical mantle convection code. The model is based on a spherical 3D Eulerian fem model, with quadratic elements, on top of which we constructed a 3D Lagrangian particle in cell(PIC) method. We use the PIC method to transport material properties and to incorporate a viscoelastic rheology. Since capturing small scale processes associated with localization phenomena require a high resolution, we spend a considerable effort on implementing solvers suitable to solve for models with over 100 million degrees of freedom. We implemented Additive Schwartz type ILU based methods in combination with a Krylov solver, GMRES. However we found that for problems with over 500 thousend degrees of freedom the convergence of the solver degraded severely. This observation is known from the literature [Saad, 2003] and results from the local character of the ILU preconditioner resulting in a poor approximation of the inverse of A for large A. The size of A for which ILU is no longer usable depends on the condition of A and on the amount of fill in allowed for the ILU preconditioner. We found that for our problems with over 5×105 degrees of freedom convergence became to slow to solve the system within an acceptable amount of walltime, one minute, even when allowing for considerable amount of fill in. We also implemented MUMPS and found good scaling results for problems up to 107 degrees of freedom for up to 32 CPU¡¯s. For problems with over 100 million degrees of freedom we implemented Algebraic Multigrid type methods (AMG) from the ML library [Sala, 2006]. Since multigrid methods are most effective for single parameter problems, we rebuild our model to use the SIMPLE method in the Stokes solver [Patankar, 1980]. We present scaling results from these solvers for 3D

Hydration-Dependent Dynamical Modes in Xyloglucan from Molecular Dynamics Simulation of 13C NMR Relaxation Times and Their Distributions.

PubMed

Chen, Pan; Terenzi, Camilla; Furó, István; Berglund, Lars A; Wohlert, Jakob

2018-05-15

Macromolecular dynamics in biological systems, which play a crucial role for biomolecular function and activity at ambient temperature, depend strongly on moisture content. Yet, a generally accepted quantitative model of hydration-dependent phenomena based on local relaxation and diffusive dynamics of both polymer and its adsorbed water is still missing. In this work, atomistic-scale spatial distributions of motional modes are calculated using molecular dynamics simulations of hydrated xyloglucan (XG). These are shown to reproduce experimental hydration-dependent 13 C NMR longitudinal relaxation times ( T 1 ) at room temperature, and relevant features of their broad distributions, which are indicative of locally heterogeneous polymer reorientational dynamics. At low hydration, the self-diffusion behavior of water shows that water molecules are confined to particular locations in the randomly aggregated XG network while the average polymer segmental mobility remains low. Upon increasing water content, the hydration network becomes mobile and fully accessible for individual water molecules, and the motion of hydrated XG segments becomes faster. Yet, the polymer network retains a heterogeneous gel-like structure even at the highest level of hydration. We show that the observed distribution of relaxations times arises from the spatial heterogeneity of chain mobility that in turn is a result of heterogeneous distribution of water-chain and chain-chain interactions. Our findings contribute to the picture of hydration-dependent dynamics in other macromolecules such as proteins, DNA, and synthetic polymers, and hold important implications for the mechanical properties of polysaccharide matrixes in plants and plant-based materials.

On the Lagrangian description of dissipative systems

NASA Astrophysics Data System (ADS)

Martínez-Pérez, N. E.; Ramírez, C.

2018-03-01

We consider the Lagrangian formulation with duplicated variables of dissipative mechanical systems. The application of Noether theorem leads to physical observable quantities which are not conserved, like energy and angular momentum, and conserved quantities, like the Hamiltonian, that generate symmetry transformations and do not correspond to observables. We show that there are simple relations among the equations satisfied by these two types of quantities. In the case of the damped harmonic oscillator, from the quantities obtained by the Noether theorem follows the algebra of Feshbach and Tikochinsky. Furthermore, if we consider the whole dynamics, the degrees of freedom separate into a physical and an unphysical sector. We analyze several cases, with linear and nonlinear dissipative forces; the physical consistency of the solutions is ensured, observing that the unphysical sector has always the trivial solution.

Molecular dynamics study of thermodynamic scaling of the glass-transition dynamics in ionic liquids over wide temperature and pressure ranges.

PubMed

Habasaki, J; Casalini, R; Ngai, K L

2010-03-25

Experimentally, superpositioning of dynamic properties such as viscosity, relaxation times, or diffusion coefficients under different conditions of temperature T, pressure P, and volume V by the scaling variable TV(gamma) (where gamma is a material constant) has been reported as a general feature of many kinds of glass-forming materials. In the present work, molecular dynamics (MD) simulations have been performed to study the scaling of dynamics near the glass-transition regime of ionic liquids. Scaling in the simulated 1-ethyl-3-methylimidazolium nitrate (EMIM-NO(3)) system has been tested over wide ranges of temperatures and pressures. TV(gamma) scaling of the dynamics is well described by master curves with gamma = 4.0 +/- 0.2 and 3.8 +/- 0.2 for cation and anion, respectively. Structures and Coulombic terms of the corresponding states are found to be quite similar. The temperature and pressure dependence of the pair correlation function show similar trends and therefore can be superpositioned onto the master curve. Although the behaviors with gamma = 4 might be expected from the relation, gamma = n/3, for the dynamics with the soft-core-type potential U = epsilon(sigma/r)(n), with n = 12, pair potentials used in the MD simulation have a more complex form, and not all the repulsive terms can play their roles in the heterogeneous structures determined by ion-ion interactions. Scaling is related to the common part of effective potentials related to the pair correlation functions, including the many-body effect in real space.

Excess entropy scaling for the segmental and global dynamics of polyethylene melts.

PubMed

Voyiatzis, Evangelos; Müller-Plathe, Florian; Böhm, Michael C

2014-11-28

The range of validity of the Rosenfeld and Dzugutov excess entropy scaling laws is analyzed for unentangled linear polyethylene chains. We consider two segmental dynamical quantities, i.e. the bond and the torsional relaxation times, and two global ones, i.e. the chain diffusion coefficient and the viscosity. The excess entropy is approximated by either a series expansion of the entropy in terms of the pair correlation function or by an equation of state for polymers developed in the context of the self associating fluid theory. For the whole range of temperatures and chain lengths considered, the two estimates of the excess entropy are linearly correlated. The scaled bond and torsional relaxation times fall into a master curve irrespective of the chain length and the employed scaling scheme. Both quantities depend non-linearly on the excess entropy. For a fixed chain length, the reduced diffusion coefficient and viscosity scale linearly with the excess entropy. An empirical reduction to a chain length-independent master curve is accessible for both dynamic quantities. The Dzugutov scheme predicts an increased value of the scaled diffusion coefficient with increasing chain length which contrasts physical expectations. The origin of this trend can be traced back to the density dependence of the scaling factors. This finding has not been observed previously for Lennard-Jones chain systems (Macromolecules, 2013, 46, 8710-8723). Thus, it limits the applicability of the Dzugutov approach to polymers. In connection with diffusion coefficients and viscosities, the Rosenfeld scaling law appears to be of higher quality than the Dzugutov approach. An empirical excess entropy scaling is also proposed which leads to a chain length-independent correlation. It is expected to be valid for polymers in the Rouse regime.

The spatial scale for cisco recruitment dynamics in Lake Superior during 1978-2007

USGS Publications Warehouse

Rook, Benjamin J.; Hansen, Michael J.; Gorman, Owen T.

2012-01-01

The cisco Coregonus artedi was once the most abundant fish species in the Great Lakes, but currently cisco populations are greatly reduced and management agencies are attempting to restore the species throughout the basin. To increase understanding of the spatial scale at which density‐independent and density‐dependent factors influence cisco recruitment dynamics in the Great Lakes, we used a Ricker stock–recruitment model to identify and quantify the appropriate spatial scale for modeling age‐1 cisco recruitment dynamics in Lake Superior. We found that the recruitment variation of ciscoes in Lake Superior was best described by a five‐parameter regional model with separate stock–recruitment relationships for the western, southern, eastern, and northern regions. The spatial scale for modeling was about 260 km (range = 230–290 km). We also found that the density‐independent recruitment rate and the rate of compensatory density dependence varied among regions at different rates. The density‐independent recruitment rate was constant among regions (3.6 age‐1 recruits/spawner), whereas the rate of compensatory density dependence varied 16‐fold among regions (range = −0.2 to −2.9/spawner). Finally, we found that peak recruitment and the spawning stock size that produced peak recruitment varied among regions. Both peak recruitment (0.5–7.1 age‐1 recruits/ha) and the spawning stock size that produced peak recruitment (0.3–5.3 spawners/ha) varied 16‐fold among regions. Our findings support the hypothesis that the factors driving cisco recruitment operate within four different regions of Lake Superior, suggest that large‐scale abiotic factors are more important than small‐scale biotic factors in influencing cisco recruitment, and suggest that fishery managers throughout Lake Superior and the entire Great Lakes basin should address cisco restoration and management efforts on a regional scale in each lake.

Scale-Free Neural and Physiological Dynamics in Naturalistic Stimuli Processing

PubMed Central

Lin, Amy

2016-01-01

Abstract Neural activity recorded at multiple spatiotemporal scales is dominated by arrhythmic fluctuations without a characteristic temporal periodicity. Such activity often exhibits a 1/f-type power spectrum, in which power falls off with increasing frequency following a power-law function: P(f)∝1/fβ, which is indicative of scale-free dynamics. Two extensively studied forms of scale-free neural dynamics in the human brain are slow cortical potentials (SCPs)—the low-frequency (<5 Hz) component of brain field potentials—and the amplitude fluctuations of α oscillations, both of which have been shown to carry important functional roles. In addition, scale-free dynamics characterize normal human physiology such as heartbeat dynamics. However, the exact relationships among these scale-free neural and physiological dynamics remain unclear. We recorded simultaneous magnetoencephalography and electrocardiography in healthy subjects in the resting state and while performing a discrimination task on scale-free dynamical auditory stimuli that followed different scale-free statistics. We observed that long-range temporal correlation (captured by the power-law exponent β) in SCPs positively correlated with that of heartbeat dynamics across time within an individual and negatively correlated with that of α-amplitude fluctuations across individuals. In addition, across individuals, long-range temporal correlation of both SCP and α-oscillation amplitude predicted subjects’ discrimination performance in the auditory task, albeit through antagonistic relationships. These findings reveal interrelations among different scale-free neural and physiological dynamics and initial evidence for the involvement of scale-free neural dynamics in the processing of natural stimuli, which often exhibit scale-free dynamics. PMID:27822495

Temperature dependence of fast carbonyl backbone dynamics in chicken villin headpiece subdomain

PubMed Central

Vugmeyster, Liliya; Ostrovsky, Dmitry

2012-01-01

Temperature-dependence of protein dynamics can provide information on details of the free energy landscape by probing the characteristics of the potential responsible for the fluctuations. We have investigated the temperature-dependence of picosecond to nanosecond backbone dynamics at carbonyl carbon sites in chicken villin headpiece subdomain protein using a combination of three NMR relaxation rates: 13C′ longitudinal rate, and two cross-correlated rates involving dipolar and chemical shift anisotropy (CSA) relaxation mechanisms, 13C′/13C′−13Cα CSA/dipolar and 13C′/13C′−15N CSA/dipolar. Order parameters have been extracted using the Lipari-Szabo model-free approach assuming a separation of the time scales of internal and molecular motions in the 2–16°C temperature range. There is a gradual deviation from this assumption from lower to higher temperatures, such that above 16°C the separation of the time scales is inconsistent with the experimental data and, thus, the Lipari-Szabo formalism can not be applied. While there are variations among the residues, on the average the order parameters indicate a markedly steeper temperature dependence at backbone carbonyl carbons compared to that probed at amide nitrogens in an earlier study. This strongly advocates for probing sites other than amide nitrogen for accurate characterization of the potential and other thermodynamics characteristics of protein backbone. PMID:21416162

Is there scale-dependent bias in single-field inflation?

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

De Putter, Roland; Doré, Olivier; Green, Daniel, E-mail: rdputter@caltech.edu, E-mail: Olivier.P.Dore@jpl.nasa.gov, E-mail: drgreen@cita.utoronto.ca

2015-10-01

Scale-dependent halo bias due to local primordial non-Gaussianity provides a strong test of single-field inflation. While it is universally understood that single-field inflation predicts negligible scale-dependent bias compared to current observational uncertainties, there is still disagreement on the exact level of scale-dependent bias at a level that could strongly impact inferences made from future surveys. In this paper, we clarify this confusion and derive in various ways that there is exactly zero scale-dependent bias in single-field inflation. Much of the current confusion follows from the fact that single-field inflation does predict a mode coupling of matter perturbations at the levelmore » of f{sub NL}{sup local}; ≈ −5/3, which naively would lead to scale-dependent bias. However, we show explicitly that this mode coupling cancels out when perturbations are evaluated at a fixed physical scale rather than fixed coordinate scale. Furthermore, we show how the absence of scale-dependent bias can be derived easily in any gauge. This result can then be incorporated into a complete description of the observed galaxy clustering, including the previously studied general relativistic terms, which are important at the same level as scale-dependent bias of order f{sub NL}{sup local} ∼ 1. This description will allow us to draw unbiased conclusions about inflation from future galaxy clustering data.« less

Parent formulation at the Lagrangian level

NASA Astrophysics Data System (ADS)

Grigoriev, Maxim

2011-07-01

The recently proposed first-order parent formalism at the level of equations of motion is specialized to the case of Lagrangian systems. It is shown that for diffeomorphism-invariant theories the parent formulation takes the form of an AKSZ-type sigma model. The proposed formulation can be also seen as a Lagrangian version of the BV-BRST extension of the Vasiliev unfolded approach. We also discuss its possible interpretation as a multidimensional generalization of the Hamiltonian BFV-BRST formalism. The general construction is illustrated by examples of (parametrized) mechanics, relativistic particle, Yang-Mills theory, and gravity.

Scale-dependent diffusion anisotropy in nanoporous silicon

PubMed Central

Kondrashova, Daria; Lauerer, Alexander; Mehlhorn, Dirk; Jobic, Hervé; Feldhoff, Armin; Thommes, Matthias; Chakraborty, Dipanjan; Gommes, Cedric; Zecevic, Jovana; de Jongh, Petra; Bunde, Armin; Kärger, Jörg; Valiullin, Rustem

2017-01-01

Nanoporous silicon produced by electrochemical etching of highly B-doped p-type silicon wafers can be prepared with tubular pores imbedded in a silicon matrix. Such materials have found many technological applications and provide a useful model system for studying phase transitions under confinement. This paper reports a joint experimental and simulation study of diffusion in such materials, covering displacements from molecular dimensions up to tens of micrometers with carefully selected probe molecules. In addition to mass transfer through the channels, diffusion (at much smaller rates) is also found to occur in directions perpendicular to the channels, thus providing clear evidence of connectivity. With increasing displacements, propagation in both axial and transversal directions is progressively retarded, suggesting a scale-dependent, hierarchical distribution of transport resistances (“constrictions” in the channels) and of shortcuts (connecting “bridges”) between adjacent channels. The experimental evidence from these studies is confirmed by molecular dynamics (MD) simulation in the range of atomistic displacements and rationalized with a simple model of statistically distributed “constrictions” and “bridges” for displacements in the micrometer range via dynamic Monte Carlo (DMC) simulation. Both ranges are demonstrated to be mutually transferrable by DMC simulations based on the pore space topology determined by electron tomography. PMID:28106047

Restricted Euler dynamics along trajectories of small inertial particles in turbulence

NASA Astrophysics Data System (ADS)

Johnson, Perry; Meneveau, Charles

2016-11-01

The fate of small particles in turbulent flows depends strongly on the surrounding fluid's velocity gradient properties such as rotation and strain-rates. For non-inertial (fluid) particles, the Restricted Euler model provides a simple, low-dimensional dynamical system representation of Lagrangian evolution of velocity gradients in fluid turbulence, at least for short times. Here we derive a new restricted Euler dynamical system for the velocity gradient evolution of inertial particles such as solid particles in a gas or droplets and bubbles in turbulent liquid flows. The model is derived in the limit of small (sub Kolmogorov scale) particles and low Stokes number. The system exhibits interesting fixed points, stability and invariant properties. Comparisons with data from Direct Numerical Simulations show that the model predicts realistic trends such as the tendency of increased straining over rotation along heavy particle trajectories and, for light particles such as bubbles, the tendency of severely reduced self-stretching of strain-rate. Supported by a National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1232825 and by a Grant from The Gulf of Mexico Research Initiative.

Assimilating Eulerian and Lagrangian data in traffic-flow models

NASA Astrophysics Data System (ADS)

Xia, Chao; Cochrane, Courtney; DeGuire, Joseph; Fan, Gaoyang; Holmes, Emma; McGuirl, Melissa; Murphy, Patrick; Palmer, Jenna; Carter, Paul; Slivinski, Laura; Sandstede, Björn

2017-05-01

Data assimilation of traffic flow remains a challenging problem. One difficulty is that data come from different sources ranging from stationary sensors and camera data to GPS and cell phone data from moving cars. Sensors and cameras give information about traffic density, while GPS data provide information about the positions and velocities of individual cars. Previous methods for assimilating Lagrangian data collected from individual cars relied on specific properties of the underlying computational model or its reformulation in Lagrangian coordinates. These approaches make it hard to assimilate both Eulerian density and Lagrangian positional data simultaneously. In this paper, we propose an alternative approach that allows us to assimilate both Eulerian and Lagrangian data. We show that the proposed algorithm is accurate and works well in different traffic scenarios and regardless of whether ensemble Kalman or particle filters are used. We also show that the algorithm is capable of estimating parameters and assimilating real traffic observations and synthetic observations obtained from microscopic models.

Hyper-scaling relations in the conformal window from dynamic AdS/QCD

NASA Astrophysics Data System (ADS)

Evans, Nick; Scott, Marc

2014-09-01

Dynamic AdS/QCD is a holographic model of strongly coupled gauge theories with the dynamics included through the running anomalous dimension of the quark bilinear, γ. We apply it to describe the physics of massive quarks in the conformal window of SU(Nc) gauge theories with Nf fundamental flavors, assuming the perturbative two-loop running for γ. We show that to find regular, holographic renormalization group flows in the infrared, the decoupling of the quark flavors at the scale of the mass is important, and enact it through suitable boundary conditions when the flavors become on shell. We can then compute the quark condensate and the mesonic spectrum (Mρ,Mπ,Mσ) and decay constants. We compute their scaling dependence on the quark mass for a number of examples. The model matches perturbative expectations for large quark mass and naïve dimensional analysis (including the anomalous dimensions) for small quark mass. The model allows study of the intermediate regime where there is an additional scale from the running of the coupling, and we present results for the deviation of scalings from assuming only the single scale of the mass.

Heavy precipitation episodes in the Western Mediterranean : Use of a semi-Lagrangian advection model for the fine-scale description of upper-level troughs

NASA Astrophysics Data System (ADS)

Gauthier, N.; Claud, C.; Funatsu, B. M.; Chaboureau, J.-P.; Argence, S.; Lambert, D.; Richard, E.; Hauchecorne, A.; Arbogast, P.; Maynard, K.

2009-09-01

Heavy precipitation events over the Mediterranean Sea are generally associated with upper-level troughs. The mesoscale structures of such troughs are however not well reproduced by the atmospheric analyses due to inappropriate spatial resolution. We propose here to use a semi-Lagrangian advection model called MIMOSA (Modélisation Isentrope du transport Méso-échelle de l'Ozone Stratosphérique par Advection) initially developed to describe stratospheric filaments, to calculate fine-scale Potential Vorticity (PV) fields on isentropic surfaces near the tropopause. After a description of MIMOSA, we will focus on the model-generated PV fields for several high impact weather cases that occurred over the Western Mediterreanean Sea. We will demonstrate the ability of MIMOSA to resolve fine scale structures of upper-level troughs considering the Algiers' flash flood, which occurred on November 2001, and then a heavy precipitation event over southeast France on the 5-6 September 2005. Finally, with a PV inversion method, we will show the impact of the fine scales PV structures as depicted by MIMOSA to improve the numerical simulation of a « hurricane » that hit Italy in September 2006, both in terms of surface pressure and precipitation forecasts.

Hamiltonian stability for weighted measure and generalized Lagrangian mean curvature flow

NASA Astrophysics Data System (ADS)

Kajigaya, Toru; Kunikawa, Keita

2018-06-01

In this paper, we generalize several results for the Hamiltonian stability and the mean curvature flow of Lagrangian submanifolds in a Kähler-Einstein manifold to more general Kähler manifolds including a Fano manifold equipped with a Kähler form ω ∈ 2 πc1(M) by using the method proposed by Behrndt (2011). Namely, we first consider a weighted measure on a Lagrangian submanifold L in a Kähler manifold M and investigate the variational problem of L for the weighted volume functional. We call a stationary point of the weighted volume functional f-minimal, and define the notion of Hamiltonian f-stability as a local minimizer under Hamiltonian deformations. We show such examples naturally appear in a toric Fano manifold. Moreover, we consider the generalized Lagrangian mean curvature flow in a Fano manifold which is introduced by Behrndt and Smoczyk-Wang. We generalize the result of H. Li, and show that if the initial Lagrangian submanifold is a small Hamiltonian deformation of an f-minimal and Hamiltonian f-stable Lagrangian submanifold, then the generalized MCF converges exponentially fast to an f-minimal Lagrangian submanifold.

A macroscopic plasma Lagrangian and its application to wave interactions and resonances

NASA Technical Reports Server (NTRS)

Peng, Y. K. M.

1974-01-01

The derivation of a macroscopic plasma Lagrangian is considered, along with its application to the description of nonlinear three-wave interaction in a homogeneous plasma and linear resonance oscillations in a inhomogeneous plasma. One approach to obtain the Lagrangian is via the inverse problem of the calculus of variations for arbitrary first and second order quasilinear partial differential systems. Necessary and sufficient conditions for the given equations to be Euler-Lagrange equations of a Lagrangian are obtained. These conditions are then used to determine the transformations that convert some classes of non-Euler-Lagrange equations to Euler-Lagrange equation form. The Lagrangians for a linear resistive transmission line and a linear warm collisional plasma are derived as examples. Using energy considerations, the correct macroscopic plasma Lagrangian is shown to differ from the velocity-integrated low Lagrangian by a macroscopic potential energy that equals twice the particle thermal kinetic energy plus the energy lost by heat conduction.

Atomization simulations using an Eulerian-VOF-Lagrangian method

NASA Technical Reports Server (NTRS)

Chen, Yen-Sen; Shang, Huan-Min; Liaw, Paul; Chen, C. P.

1994-01-01

This paper summarizes the technical development and validation of a multiphase computational fluid dynamics (CFD) numerical method using the volume-of-fluid (VOF) model and a Lagrangian tracking model which can be employed to analyze general multiphase flow problems with free surface mechanism. The gas-liquid interface mass, momentum and energy conservations are modeled by continuum surface mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed flow regimes. The objectives of the present study are to develop and verify the fractional volume-of-fluid cell partitioning approach into a predictor-corrector algorithm and to demonstrate the effectiveness of the present innovative approach by simulating benchmark problems including the coaxial jet atomization.

A shifted hyperbolic augmented Lagrangian-based artificial fish two-swarm algorithm with guaranteed convergence for constrained global optimization

NASA Astrophysics Data System (ADS)

Rocha, Ana Maria A. C.; Costa, M. Fernanda P.; Fernandes, Edite M. G. P.

2016-12-01

This article presents a shifted hyperbolic penalty function and proposes an augmented Lagrangian-based algorithm for non-convex constrained global optimization problems. Convergence to an ?-global minimizer is proved. At each iteration k, the algorithm requires the ?-global minimization of a bound constrained optimization subproblem, where ?. The subproblems are solved by a stochastic population-based metaheuristic that relies on the artificial fish swarm paradigm and a two-swarm strategy. To enhance the speed of convergence, the algorithm invokes the Nelder-Mead local search with a dynamically defined probability. Numerical experiments with benchmark functions and engineering design problems are presented. The results show that the proposed shifted hyperbolic augmented Lagrangian compares favorably with other deterministic and stochastic penalty-based methods.

Scaling analyses of the spectral dimension in 3-dimensional causal dynamical triangulations

NASA Astrophysics Data System (ADS)

Cooperman, Joshua H.

2018-05-01

The spectral dimension measures the dimensionality of a space as witnessed by a diffusing random walker. Within the causal dynamical triangulations approach to the quantization of gravity (Ambjørn et al 2000 Phys. Rev. Lett. 85 347, 2001 Nucl. Phys. B 610 347, 1998 Nucl. Phys. B 536 407), the spectral dimension exhibits novel scale-dependent dynamics: reducing towards a value near 2 on sufficiently small scales, matching closely the topological dimension on intermediate scales, and decaying in the presence of positive curvature on sufficiently large scales (Ambjørn et al 2005 Phys. Rev. Lett. 95 171301, Ambjørn et al 2005 Phys. Rev. D 72 064014, Benedetti and Henson 2009 Phys. Rev. D 80 124036, Cooperman 2014 Phys. Rev. D 90 124053, Cooperman et al 2017 Class. Quantum Grav. 34 115008, Coumbe and Jurkiewicz 2015 J. High Energy Phys. JHEP03(2015)151, Kommu 2012 Class. Quantum Grav. 29 105003). I report the first comprehensive scaling analysis of the small-to-intermediate scale spectral dimension for the test case of the causal dynamical triangulations of 3-dimensional Einstein gravity. I find that the spectral dimension scales trivially with the diffusion constant. I find that the spectral dimension is completely finite in the infinite volume limit, and I argue that its maximal value is exactly consistent with the topological dimension of 3 in this limit. I find that the spectral dimension reduces further towards a value near 2 as this case’s bare coupling approaches its phase transition, and I present evidence against the conjecture that the bare coupling simply sets the overall scale of the quantum geometry (Ambjørn et al 2001 Phys. Rev. D 64 044011). On the basis of these findings, I advance a tentative physical explanation for the dynamical reduction of the spectral dimension observed within causal dynamical triangulations: branched polymeric quantum geometry on sufficiently small scales. My analyses should facilitate attempts to employ the spectral

Thermodynamic scaling of dynamics in polymer melts: predictions from the generalized entropy theory.

PubMed

Xu, Wen-Sheng; Freed, Karl F

2013-06-21

Many glass-forming fluids exhibit a remarkable thermodynamic scaling in which dynamic properties, such as the viscosity, the relaxation time, and the diffusion constant, can be described under different thermodynamic conditions in terms of a unique scaling function of the ratio ρ(γ)∕T, where ρ is the density, T is the temperature, and γ is a material dependent constant. Interest in the scaling is also heightened because the exponent γ enters prominently into considerations of the relative contributions to the dynamics from pressure effects (e.g., activation barriers) vs. volume effects (e.g., free volume). Although this scaling is clearly of great practical use, a molecular understanding of the scaling remains elusive. Providing this molecular understanding would greatly enhance the utility of the empirically observed scaling in assisting the rational design of materials by describing how controllable molecular factors, such as monomer structures, interactions, flexibility, etc., influence the scaling exponent γ and, hence, the dynamics. Given the successes of the generalized entropy theory in elucidating the influence of molecular details on the universal properties of glass-forming polymers, this theory is extended here to investigate the thermodynamic scaling in polymer melts. The predictions of theory are in accord with the appearance of thermodynamic scaling for pressures not in excess of ~50 MPa. (The failure at higher pressures arises due to inherent limitations of a lattice model.) In line with arguments relating the magnitude of γ to the steepness of the repulsive part of the intermolecular potential, the abrupt, square-well nature of the lattice model interactions lead, as expected, to much larger values of the scaling exponent. Nevertheless, the theory is employed to study how individual molecular parameters affect the scaling exponent in order to extract a molecular understanding of the information content contained in the exponent. The chain

The coupling effects of kinematics and flexibility on the Lagrangian dynamic formulation of open chain deformable links

NASA Technical Reports Server (NTRS)

Changizi, Koorosh

1989-01-01

A nonlinear Lagrangian formulation for the spatial kinematic and dynamic analysis of open chain deformable links consisting of cylindrical joints that connect pairs of flexible links is developed. The special cases of revolute or prismatic joint can also be obtained from the kinematic equations. The kinematic equations are described using a 4x4 matrix method. The configuration of each deformable link in the open loop kinematic chain is identified using a coupled set of relative joint variables, constant geometric parameters, and elastic coordinates. The elastic coordinates define the link deformation with respect to a selected joint coordinate system that is consistent with the kinematic constraints on the boundary of the deformable link. These coordinates can be introduced using approximation techniques such as Rayleigh-Ritz method, finite element technique or any other desired approach. The large relative motion between two neighboring links are defined by a set of joint coordinates which describes the large relative translational and rotational motion between two neighboring joint coordinate systems. The origin of these coordinate systems are rigidly attached to the neighboring links at the joint definition points along the axis of motion.

Microscopic Lagrangian description of warm plasmas. IV - Macroscopic approximation

NASA Technical Reports Server (NTRS)

Kim, H.; Crawford, F. W.

1983-01-01

The averaged-Lagrangian method is applied to linear wave propagation and nonlinear three-wave interaction in a warm magnetoplasma, in the macroscopic approximation. The microscopic Lagrangian treated by Kim and Crawford (1977) and by Galloway and Crawford (1977) is first expanded to third order in perturbation. Velocity integration is then carried out, before applying Hamilton's principle to obtain a general description of wave propagation and coupling. The results are specialized to the case of interaction between two electron plasma waves and an Alfven wave. The method is shown to be more powerful than the alternative possibility of working from the beginning with a macroscopic Lagrangian density.

Extending geometrical optics: A Lagrangian theory for vector waves

NASA Astrophysics Data System (ADS)

Ruiz, D. E.

2016-10-01

Even diffraction aside, the commonly known equations of geometrical optics (GO) are not entirely accurate. GO considers wave rays as classical particles, which are completely described by their coordinates and momenta, but rays have another degree of freedom, namely, polarization. As a result, wave rays can behave as particles with spin. A well-known example of polarization dynamics is wave-mode conversion, which can be interpreted as rotation of the (classical) ``wave spin.'' However, there are other less-known manifestations of the wave spin, such as polarization precession and polarization-driven bending of ray trajectories. This talk presents recent advances in extending and reformulating GO as a first-principle Lagrangian theory, whose effective-gauge Hamiltonian governs both mentioned polarization phenomena simultaneously. Examples and numerical results are presented. When applied to classical waves, the theory correctly predicts the polarization-driven divergence of left- and right- polarized electromagnetic waves in isotropic media, such as dielectrics and nonmagnetized plasmas. In the case of particles with spin, the formalism also yields a point-particle Lagrangian model for the Dirac electron, i.e. the relativistic spin-1/2 electron, which includes both the Stern-Gerlach spin potential and the Bargmann-Michel-Telegdi spin precession. Additionally, the same theory contributes, perhaps unexpectedly, to the understanding of ponderomotive effects in both wave and particle dynamics; e.g., the formalism allows to obtain the ponderomotive Hamiltonian for a Dirac electron interacting with an arbitrarily large electromagnetic laser field with spin effects included. Supported by the NNSA SSAA Program through DOE Research Grant No. DE-NA0002948, by the U.S. DOE through Contract No. DE-AC02-09CH11466, and by the U.S. DOD NDSEG Fellowship through Contract No. 32-CFR-168a.

Dispersion and Cluster Scales in the Ocean

NASA Astrophysics Data System (ADS)

Kirwan, A. D., Jr.; Chang, H.; Huntley, H.; Carlson, D. F.; Mensa, J. A.; Poje, A. C.; Fox-Kemper, B.

2017-12-01

Ocean flow space scales range from centimeters to thousands of kilometers. Because of their large Reynolds number these flows are considered turbulent. However, because of rotation and stratification constraints they do not conform to classical turbulence scaling theory. Mesoscale and large-scale motions are well described by geostrophic or "2D turbulence" theory, however extending this theory to submesoscales has proved to be problematic. One obvious reason is the difficulty in obtaining reliable data over many orders of magnitude of spatial scales in an ocean environment. The goal of this presentation is to provide a preliminary synopsis of two recent experiments that overcame these obstacles. The first experiment, the Grand LAgrangian Deployment (GLAD) was conducted during July 2012 in the eastern half of the Gulf of Mexico. Here approximately 300 GPS-tracked drifters were deployed with the primary goal to determine whether the relative dispersion of an initially densely clustered array was driven by processes acting at local pair separation scales or by straining imposed by mesoscale motions. The second experiment was a component of the LAgrangian Submesoscale Experiment (LASER) conducted during the winter of 2016. Here thousands of bamboo plates were tracked optically from an Aerostat. Together these two deployments provided an unprecedented data set on dispersion and clustering processes from 1 to 106 meter scales. Calculations of statistics such as two point separations, structure functions, and scale dependent relative diffusivities showed: inverse energy cascade as expected for scales above 10 km, a forward energy cascade at scales below 10 km with a possible energy input at Langmuir circulation scales. We also find evidence from structure function calculations for surface flow convergence at scales less than 10 km that account for material clustering at the ocean surface.

Dynamic scaling in natural swarms

NASA Astrophysics Data System (ADS)

Cavagna, Andrea; Conti, Daniele; Creato, Chiara; Del Castello, Lorenzo; Giardina, Irene; Grigera, Tomas S.; Melillo, Stefania; Parisi, Leonardo; Viale, Massimiliano

2017-09-01

Collective behaviour in biological systems presents theoretical challenges beyond the borders of classical statistical physics. The lack of concepts such as scaling and renormalization is particularly problematic, as it forces us to negotiate details whose relevance is often hard to assess. In an attempt to improve this situation, we present here experimental evidence of the emergence of dynamic scaling laws in natural swarms of midges. We find that spatio-temporal correlation functions in different swarms can be rescaled by using a single characteristic time, which grows with the correlation length with a dynamical critical exponent z ~ 1, a value not found in any other standard statistical model. To check whether out-of-equilibrium effects may be responsible for this anomalous exponent, we run simulations of the simplest model of self-propelled particles and find z ~ 2, suggesting that natural swarms belong to a novel dynamic universality class. This conclusion is strengthened by experimental evidence of the presence of non-dissipative modes in the relaxation, indicating that previously overlooked inertial effects are needed to describe swarm dynamics. The absence of a purely dissipative regime suggests that natural swarms undergo a near-critical censorship of hydrodynamics.

Functional integral for non-Lagrangian systems

NASA Astrophysics Data System (ADS)

Kochan, Denis

2010-02-01

A functional integral formulation of quantum mechanics for non-Lagrangian systems is presented. The approach, which we call “stringy quantization,” is based solely on classical equations of motion and is free of any ambiguity arising from Lagrangian and/or Hamiltonian formulation of the theory. The functionality of the proposed method is demonstrated on several examples. Special attention is paid to the stringy quantization of systems with a general A-power friction force -κq˙A. Results for A=1 are compared with those obtained in the approaches by Caldirola-Kanai, Bateman, and Kostin. Relations to the Caldeira-Leggett model and to the Feynman-Vernon approach are discussed as well.

Simple scaling of catastrophic landslide dynamics.

PubMed

Ekström, Göran; Stark, Colin P

2013-03-22

Catastrophic landslides involve the acceleration and deceleration of millions of tons of rock and debris in response to the forces of gravity and dissipation. Their unpredictability and frequent location in remote areas have made observations of their dynamics rare. Through real-time detection and inverse modeling of teleseismic data, we show that landslide dynamics are primarily determined by the length scale of the source mass. When combined with geometric constraints from satellite imagery, the seismically determined landslide force histories yield estimates of landslide duration, momenta, potential energy loss, mass, and runout trajectory. Measurements of these dynamical properties for 29 teleseismogenic landslides are consistent with a simple acceleration model in which height drop and rupture depth scale with the length of the failing slope.

Lagrangian transport near perturbed periodic lines in three-dimensional unsteady flows

NASA Astrophysics Data System (ADS)

Speetjens, Michel

2015-11-01

Periodic lines formed by continuous strings of periodic points are key organizing entities in the Lagrangian flow topology of certain three-dimensional (3D) time-periodic flows. Such lines generically consist of elliptic and/or hyperbolic points and thus give rise to 3D flow topologies made up of families of concentric closed trajectories embedded in chaotic regions. Weak perturbation destroys the periodic lines and causes said trajectories to coalesce into families of concentric tubes. However, emergence of isolated periodic points near the disintegrating periodic lines and/or partitioning of the original lines into elliptic and hyperbolic segments interrupt the tube formation. This yields incomplete tubes that interact with the (chaotic) environment through their open ends, resulting in intricate and essentially 3D flow topologies These phenomena have been observed in various realistic flows yet the underlying mechanisms are to date only partially understood. This study deepens insight into the (perturbed) Lagrangian dynamics of these flows by way of a linearized representation of the equations of motion near the periodic lines. Predictions on the basis of this investigation are in full (qualitative) agreement with observed behavior in the actual flows

Effective pore-scale dispersion upscaling with a correlated continuous time random walk approach

NASA Astrophysics Data System (ADS)

Le Borgne, T.; Bolster, D.; Dentz, M.; de Anna, P.; Tartakovsky, A.

2011-12-01

We investigate the upscaling of dispersion from a pore-scale analysis of Lagrangian velocities. A key challenge in the upscaling procedure is to relate the temporal evolution of spreading to the pore-scale velocity field properties. We test the hypothesis that one can represent Lagrangian velocities at the pore scale as a Markov process in space. The resulting effective transport model is a continuous time random walk (CTRW) characterized by a correlated random time increment, here denoted as correlated CTRW. We consider a simplified sinusoidal wavy channel model as well as a more complex heterogeneous pore space. For both systems, the predictions of the correlated CTRW model, with parameters defined from the velocity field properties (both distribution and correlation), are found to be in good agreement with results from direct pore-scale simulations over preasymptotic and asymptotic times. In this framework, the nontrivial dependence of dispersion on the pore boundary fluctuations is shown to be related to the competition between distribution and correlation effects. In particular, explicit inclusion of spatial velocity correlation in the effective CTRW model is found to be important to represent incomplete mixing in the pore throats.

The canonical Lagrangian approach to three-space general relativity

NASA Astrophysics Data System (ADS)

Shyam, Vasudev; Venkatesh, Madhavan

2013-07-01

We study the action for the three-space formalism of general relativity, better known as the Barbour-Foster-Ó Murchadha action, which is a square-root Baierlein-Sharp-Wheeler action. In particular, we explore the (pre)symplectic structure by pulling it back via a Legendre map to the tangent bundle of the configuration space of this action. With it we attain the canonical Lagrangian vector field which generates the gauge transformations (3-diffeomorphisms) and the true physical evolution of the system. This vector field encapsulates all the dynamics of the system. We also discuss briefly the observables and perennials for this theory. We then present a symplectic reduction of the constrained phase space.

Lagrangian turbulence: Structures and mixing in admissible model flows

NASA Astrophysics Data System (ADS)

Ottino, Julio M.

1991-12-01

The goal of our research was to bridge the gap between modern ideas from dynamical systems and chaos and more traditional approaches to turbulence. In order to reach this objective we conducted theoretical and computational work on two systems: (1) a perturbed-Kelvin cat eyes flow, and (2) prototype solutions of the Navier-Stokes equations near solid walls. The main results obtained are two-fold: we have been able to produce flows capable of producing complex distributions of vorticity, and we have been able to construct flowfields, based on solutions of the Navier-Stokes equations, which are capable of displaying both Eulerian and Lagrangian turbulence. These results exemplify typical mechanisms of mixing enhancement in transitional flows.

Synaptic scaling enables dynamically distinct short- and long-term memory formation.

PubMed

Tetzlaff, Christian; Kolodziejski, Christoph; Timme, Marc; Tsodyks, Misha; Wörgötter, Florentin

2013-10-01

Memory storage in the brain relies on mechanisms acting on time scales from minutes, for long-term synaptic potentiation, to days, for memory consolidation. During such processes, neural circuits distinguish synapses relevant for forming a long-term storage, which are consolidated, from synapses of short-term storage, which fade. How time scale integration and synaptic differentiation is simultaneously achieved remains unclear. Here we show that synaptic scaling - a slow process usually associated with the maintenance of activity homeostasis - combined with synaptic plasticity may simultaneously achieve both, thereby providing a natural separation of short- from long-term storage. The interaction between plasticity and scaling provides also an explanation for an established paradox where memory consolidation critically depends on the exact order of learning and recall. These results indicate that scaling may be fundamental for stabilizing memories, providing a dynamic link between early and late memory formation processes.

Synaptic Scaling Enables Dynamically Distinct Short- and Long-Term Memory Formation

PubMed Central

Tetzlaff, Christian; Kolodziejski, Christoph; Timme, Marc; Tsodyks, Misha; Wörgötter, Florentin

2013-01-01

Memory storage in the brain relies on mechanisms acting on time scales from minutes, for long-term synaptic potentiation, to days, for memory consolidation. During such processes, neural circuits distinguish synapses relevant for forming a long-term storage, which are consolidated, from synapses of short-term storage, which fade. How time scale integration and synaptic differentiation is simultaneously achieved remains unclear. Here we show that synaptic scaling – a slow process usually associated with the maintenance of activity homeostasis – combined with synaptic plasticity may simultaneously achieve both, thereby providing a natural separation of short- from long-term storage. The interaction between plasticity and scaling provides also an explanation for an established paradox where memory consolidation critically depends on the exact order of learning and recall. These results indicate that scaling may be fundamental for stabilizing memories, providing a dynamic link between early and late memory formation processes. PMID:24204240

A unifying framework for ghost-free Lorentz-invariant Lagrangian field theories

NASA Astrophysics Data System (ADS)

Li, Wenliang

2018-04-01

We propose a framework for Lorentz-invariant Lagrangian field theories where Ostrogradsky's scalar ghosts could be absent. A key ingredient is the generalized Kronecker delta. The general Lagrangians are reformulated in the language of differential forms. The absence of higher order equations of motion for the scalar modes stems from the basic fact that every exact form is closed. The well-established Lagrangian theories for spin-0, spin-1, p-form, spin-2 fields have natural formulations in this framework. We also propose novel building blocks for Lagrangian field theories. Some of them are novel nonlinear derivative terms for spin-2 fields. It is nontrivial that Ostrogradsky's scalar ghosts are absent in these fully nonlinear theories.

Leading-order classical Lagrangians for the nonminimal standard-model extension

NASA Astrophysics Data System (ADS)

Reis, J. A. A. S.; Schreck, M.

2018-03-01

In this paper, we derive the general leading-order classical Lagrangian covering all fermion operators of the nonminimal standard-model extension (SME). Such a Lagrangian is considered to be the point-particle analog of the effective field theory description of Lorentz violation that is provided by the SME. At leading order in Lorentz violation, the Lagrangian obtained satisfies the set of five nonlinear equations that govern the map from the field theory to the classical description. This result can be of use for phenomenological studies of classical bodies in gravitational fields.

Interaural Level Difference Dependent Gain Control and Synaptic Scaling Underlying Binaural Computation

PubMed Central

Xiong, Xiaorui R.; Liang, Feixue; Li, Haifu; Mesik, Lukas; Zhang, Ke K.; Polley, Daniel B.; Tao, Huizhong W.; Xiao, Zhongju; Zhang, Li I.

2013-01-01

Binaural integration in the central nucleus of inferior colliculus (ICC) plays a critical role in sound localization. However, its arithmetic nature and underlying synaptic mechanisms remain unclear. Here, we showed in mouse ICC neurons that the contralateral dominance is created by a “push-pull”-like mechanism, with contralaterally dominant excitation and more bilaterally balanced inhibition. Importantly, binaural spiking response is generated apparently from an ipsilaterally-mediated scaling of contralateral response, leaving frequency tuning unchanged. This scaling effect is attributed to a divisive attenuation of contralaterally-evoked synaptic excitation onto ICC neurons with their inhibition largely unaffected. Thus, a gain control mediates the linear transformation from monaural to binaural spike responses. The gain value is modulated by interaural level difference (ILD) primarily through scaling excitation to different levels. The ILD-dependent synaptic scaling and gain adjustment allow ICC neurons to dynamically encode interaural sound localization cues while maintaining an invariant representation of other independent sound attributes. PMID:23972599

Spinor matter fields in SL(2,C) gauge theories of gravity: Lagrangian and Hamiltonian approaches

NASA Astrophysics Data System (ADS)

Antonowicz, Marek; Szczyrba, Wiktor

1985-06-01

We consider the SL(2,C)-covariant Lagrangian formulation of gravitational theories with the presence of spinor matter fields. The invariance properties of such theories give rise to the conservation laws (the contracted Bianchi identities) having in the presence of matter fields a more complicated form than those known in the literature previously. A general SL(2,C) gauge theory of gravity is cast into an SL(2,C)-covariant Hamiltonian formulation. Breaking the SL(2,C) symmetry of the system to the SU(2) symmetry, by introducing a spacelike slicing of spacetime, we get an SU(2)-covariant Hamiltonian picture. The qualitative analysis of SL(2,C) gauge theories of gravity in the SU(2)-covariant formulation enables us to define the dynamical symplectic variables and the gauge variables of the theory under consideration as well as to divide the set of field equations into the dynamical equations and the constraints. In the SU(2)-covariant Hamiltonian formulation the primary constraints, which are generic for first-order matter Lagrangians (Dirac, Weyl, Fierz-Pauli), can be reduced. The effective matter symplectic variables are given by SU(2)-spinor-valued half-forms on three-dimensional slices of spacetime. The coupled Einstein-Cartan-Dirac (Weyl, Fierz-Pauli) system is analyzed from the (3+1) point of view. This analysis is complete; the field equations of the Einstein-Cartan-Dirac theory split into 18 gravitational dynamical equations, 8 dynamical Dirac equations, and 7 first-class constraints. The system has 4+8=12 independent degrees of freedom in the phase space.

Polarization-dependent exciton dynamics in tetracene single crystals

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

Zhang, Bo; Zhang, Chunfeng, E-mail: cfzhang@nju.edu.cn; Xu, Yanqing

2014-12-28

We conduct polarization-dependent ultrafast spectroscopy to study the dynamics of singlet fission (SF) in tetracene single crystals. The spectrotemporal species for singlet and triplet excitons in transient absorption spectra are found to be strongly dependent on probe polarization. By carefully analyzing the polarization dependence, the signals contributed by different transitions related to singlet excitons have been disentangled, which is further applied to construct the correlation between dynamics of singlet and triplet excitons. The anisotropy of exciton dynamics provides an alternative approach to tackle the long-standing challenge in understanding the mechanism of singlet fission in organic semiconductors.

Edgeworth streaming model for redshift space distortions

NASA Astrophysics Data System (ADS)

Uhlemann, Cora; Kopp, Michael; Haugg, Thomas

2015-09-01

We derive the Edgeworth streaming model (ESM) for the redshift space correlation function starting from an arbitrary distribution function for biased tracers of dark matter by considering its two-point statistics and show that it reduces to the Gaussian streaming model (GSM) when neglecting non-Gaussianities. We test the accuracy of the GSM and ESM independent of perturbation theory using the Horizon Run 2 N -body halo catalog. While the monopole of the redshift space halo correlation function is well described by the GSM, higher multipoles improve upon including the leading order non-Gaussian correction in the ESM: the GSM quadrupole breaks down on scales below 30 Mpc /h whereas the ESM stays accurate to 2% within statistical errors down to 10 Mpc /h . To predict the scale-dependent functions entering the streaming model we employ convolution Lagrangian perturbation theory (CLPT) based on the dust model and local Lagrangian bias. Since dark matter halos carry an intrinsic length scale given by their Lagrangian radius, we extend CLPT to the coarse-grained dust model and consider two different smoothing approaches operating in Eulerian and Lagrangian space, respectively. The coarse graining in Eulerian space features modified fluid dynamics different from dust while the coarse graining in Lagrangian space is performed in the initial conditions with subsequent single-streaming dust dynamics, implemented by smoothing the initial power spectrum in the spirit of the truncated Zel'dovich approximation. Finally, we compare the predictions of the different coarse-grained models for the streaming model ingredients to N -body measurements and comment on the proper choice of both the tracer distribution function and the smoothing scale. Since the perturbative methods we considered are not yet accurate enough on small scales, the GSM is sufficient when applied to perturbation theory.

Lagrangian methods in nonlinear plasma wave interaction

NASA Technical Reports Server (NTRS)

Crawford, F. W.

1980-01-01

Analysis of nonlinear plasma wave interactions is usually very complicated, and simplifying mathematical approaches are highly desirable. The application of averaged-Lagrangian methods offers a considerable reduction in effort, with improved insight into synchronism and conservation (Manley-Rowe) relations. This chapter indicates how suitable Lagrangian densities have been defined, expanded, and manipulated to describe nonlinear wave-wave and wave-particle interactions in the microscopic, macroscopic and cold plasma models. Recently, further simplifications have been introduced by the use of techniques derived from Lie algebra. These and likely future developments are reviewed briefly.

Alignment dynamics of diffusive scalar gradient in a two-dimensional model flow

NASA Astrophysics Data System (ADS)

Gonzalez, M.

2018-04-01

The Lagrangian two-dimensional approach of scalar gradient kinematics is revisited accounting for molecular diffusion. Numerical simulations are performed in an analytic, parameterized model flow, which enables considering different regimes of scalar gradient dynamics. Attention is especially focused on the influence of molecular diffusion on Lagrangian statistical orientations and on the dynamics of scalar gradient alignment.