Application of TVD schemes for the Euler equations of gas dynamics. [total variation diminishing for nonlinear hyperbolic systems

NASA Technical Reports Server (NTRS)

Yee, H. C.; Warming, R. F.; Harten, A.

1985-01-01

First-order, second-order, and implicit total variation diminishing (TVD) schemes are reviewed using the modified flux approach. Some transient and steady-state calculations are then carried out to illustrate the applicability of these schemes to the Euler equations. It is shown that the second-order explicit TVD schemes generate good shock resolution for both transient and steady-state one-dimensional and two-dimensional problems. Numerical experiments for a quasi-one-dimensional nozzle problem show that the second-order implicit TVD scheme produces a fairly rapid convergence rate and remains stable even when running with a Courant number of 10 to the 6th.

Optimal generalized multistep integration formulae for real-time digital simulation

NASA Technical Reports Server (NTRS)

Moerder, D. D.; Halyo, N.

1985-01-01

The problem of discretizing a dynamical system for real-time digital simulation is considered. Treating the system and its simulation as stochastic processes leads to a statistical characterization of simulator fidelity. A plant discretization procedure based on an efficient matrix generalization of explicit linear multistep discrete integration formulae is introduced, which minimizes a weighted sum of the mean squared steady-state and transient error between the system and simulator outputs.

Model-free inference of direct network interactions from nonlinear collective dynamics.

PubMed

Casadiego, Jose; Nitzan, Mor; Hallerberg, Sarah; Timme, Marc

2017-12-19

The topology of interactions in network dynamical systems fundamentally underlies their function. Accelerating technological progress creates massively available data about collective nonlinear dynamics in physical, biological, and technological systems. Detecting direct interaction patterns from those dynamics still constitutes a major open problem. In particular, current nonlinear dynamics approaches mostly require to know a priori a model of the (often high dimensional) system dynamics. Here we develop a model-independent framework for inferring direct interactions solely from recording the nonlinear collective dynamics generated. Introducing an explicit dependency matrix in combination with a block-orthogonal regression algorithm, the approach works reliably across many dynamical regimes, including transient dynamics toward steady states, periodic and non-periodic dynamics, and chaos. Together with its capabilities to reveal network (two point) as well as hypernetwork (e.g., three point) interactions, this framework may thus open up nonlinear dynamics options of inferring direct interaction patterns across systems where no model is known.

Dynamic Maternal Gradients Control Timing and Shift-Rates for Drosophila Gap Gene Expression

PubMed Central

Verd, Berta; Crombach, Anton

2017-01-01

Pattern formation during development is a highly dynamic process. In spite of this, few experimental and modelling approaches take into account the explicit time-dependence of the rules governing regulatory systems. We address this problem by studying dynamic morphogen interpretation by the gap gene network in Drosophila melanogaster. Gap genes are involved in segment determination during early embryogenesis. They are activated by maternal morphogen gradients encoded by bicoid (bcd) and caudal (cad). These gradients decay at the same time-scale as the establishment of the antero-posterior gap gene pattern. We use a reverse-engineering approach, based on data-driven regulatory models called gene circuits, to isolate and characterise the explicitly time-dependent effects of changing morphogen concentrations on gap gene regulation. To achieve this, we simulate the system in the presence and absence of dynamic gradient decay. Comparison between these simulations reveals that maternal morphogen decay controls the timing and limits the rate of gap gene expression. In the anterior of the embyro, it affects peak expression and leads to the establishment of smooth spatial boundaries between gap domains. In the posterior of the embryo, it causes a progressive slow-down in the rate of gap domain shifts, which is necessary to correctly position domain boundaries and to stabilise the spatial gap gene expression pattern. We use a newly developed method for the analysis of transient dynamics in non-autonomous (time-variable) systems to understand the regulatory causes of these effects. By providing a rigorous mechanistic explanation for the role of maternal gradient decay in gap gene regulation, our study demonstrates that such analyses are feasible and reveal important aspects of dynamic gene regulation which would have been missed by a traditional steady-state approach. More generally, it highlights the importance of transient dynamics for understanding complex regulatory processes in development. PMID:28158178

Dynamic Maternal Gradients Control Timing and Shift-Rates for Drosophila Gap Gene Expression.

PubMed

Verd, Berta; Crombach, Anton; Jaeger, Johannes

2017-02-01

Pattern formation during development is a highly dynamic process. In spite of this, few experimental and modelling approaches take into account the explicit time-dependence of the rules governing regulatory systems. We address this problem by studying dynamic morphogen interpretation by the gap gene network in Drosophila melanogaster. Gap genes are involved in segment determination during early embryogenesis. They are activated by maternal morphogen gradients encoded by bicoid (bcd) and caudal (cad). These gradients decay at the same time-scale as the establishment of the antero-posterior gap gene pattern. We use a reverse-engineering approach, based on data-driven regulatory models called gene circuits, to isolate and characterise the explicitly time-dependent effects of changing morphogen concentrations on gap gene regulation. To achieve this, we simulate the system in the presence and absence of dynamic gradient decay. Comparison between these simulations reveals that maternal morphogen decay controls the timing and limits the rate of gap gene expression. In the anterior of the embyro, it affects peak expression and leads to the establishment of smooth spatial boundaries between gap domains. In the posterior of the embryo, it causes a progressive slow-down in the rate of gap domain shifts, which is necessary to correctly position domain boundaries and to stabilise the spatial gap gene expression pattern. We use a newly developed method for the analysis of transient dynamics in non-autonomous (time-variable) systems to understand the regulatory causes of these effects. By providing a rigorous mechanistic explanation for the role of maternal gradient decay in gap gene regulation, our study demonstrates that such analyses are feasible and reveal important aspects of dynamic gene regulation which would have been missed by a traditional steady-state approach. More generally, it highlights the importance of transient dynamics for understanding complex regulatory processes in development.

An 8-node tetrahedral finite element suitable for explicit transient dynamic simulations

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

Key, S.W.; Heinstein, M.W.; Stone, C.M.

1997-12-31

Considerable effort has been expended in perfecting the algorithmic properties of 8-node hexahedral finite elements. Today the element is well understood and performs exceptionally well when used in modeling three-dimensional explicit transient dynamic events. However, the automatic generation of all-hexahedral meshes remains an elusive achievement. The alternative of automatic generation for all-tetrahedral finite element is a notoriously poor performer, and the 10-node quadratic tetrahedral finite element while a better performer numerically is computationally expensive. To use the all-tetrahedral mesh generation extant today, the authors have explored the creation of a quality 8-node tetrahedral finite element (a four-node tetrahedral finite elementmore » enriched with four midface nodal points). The derivation of the element`s gradient operator, studies in obtaining a suitable mass lumping and the element`s performance in applications are presented. In particular, they examine the 80node tetrahedral finite element`s behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element only samples constant strain states and, therefore, has 12 hourglass modes. In this regard, it bears similarities to the 8-node, mean-quadrature hexahedral finite element. Given automatic all-tetrahedral meshing, the 8-node, constant-strain tetrahedral finite element is a suitable replacement for the 8-node hexahedral finite element and handbuilt meshes.« less

Testing the nature of reaction coordinate describing interaction of H2 with carbonyl carbon, activated by Lewis acid complexation, and the Lewis basic solvent: A Born-Oppenheimer molecular dynamics study with explicit solvent

NASA Astrophysics Data System (ADS)

Heshmat, Mojgan; Privalov, Timofei

2017-09-01

Using Born-Oppenheimer molecular dynamics (BOMD), we explore the nature of interactions between H2 and the activated carbonyl carbon, C(carbonyl), of the acetone-B(C6F5)3 adduct surrounded by an explicit solvent (1,4-dioxane). BOMD simulations at finite (non-zero) temperature with an explicit solvent produced long-lasting instances of significant vibrational perturbation of the H—H bond and H2-polarization at C(carbonyl). As far as the characteristics of H2 are concerned, the dynamical transient state approximates the transition-state of the heterolytic H2-cleavage. The culprit is the concerted interactions of H2 with C(carbonyl) and a number of Lewis basic solvent molecules—i.e., the concerted C(carbonyl)⋯H2⋯solvent interactions. On one hand, the results presented herein complement the mechanistic insight gained from our recent transition-state calculations, reported separately from this article. But on the other hand, we now indicate that an idea of the sufficiency of just one simple reaction coordinate in solution-phase reactions can be too simplistic and misleading. This article goes in the footsteps of the rapidly strengthening approach of investigating molecular interactions in large molecular systems via "computational experimentation" employing, primarily, ab initio molecular dynamics describing reactants-interaction without constraints of the preordained reaction coordinate and/or foreknowledge of the sampling order parameters.

A generalized modal shock spectra method for spacecraft loads analysis. [internal loads in a spacecraft structure subjected to a dynamic launch environment

NASA Technical Reports Server (NTRS)

Trubert, M.; Salama, M.

1979-01-01

Unlike an earlier shock spectra approach, generalization permits an accurate elastic interaction between the spacecraft and launch vehicle to obtain accurate bounds on the spacecraft response and structural loads. In addition, the modal response from a previous launch vehicle transient analysis with or without a dummy spacecraft - is exploited to define a modal impulse as a simple idealization of the actual forcing function. The idealized modal forcing function is then used to derive explicit expressions for an estimate of the bound on the spacecraft structural response and forces. Greater accuracy is achieved with the present method over the earlier shock spectra, while saving much computational effort over the transient analysis.

Adaptive methods for nonlinear structural dynamics and crashworthiness analysis

NASA Technical Reports Server (NTRS)

Belytschko, Ted

1993-01-01

The objective is to describe three research thrusts in crashworthiness analysis: adaptivity; mixed time integration, or subcycling, in which different timesteps are used for different parts of the mesh in explicit methods; and methods for contact-impact which are highly vectorizable. The techniques are being developed to improve the accuracy of calculations, ease-of-use of crashworthiness programs, and the speed of calculations. The latter is still of importance because crashworthiness calculations are often made with models of 20,000 to 50,000 elements using explicit time integration and require on the order of 20 to 100 hours on current supercomputers. The methodologies are briefly reviewed and then some example calculations employing these methods are described. The methods are also of value to other nonlinear transient computations.

Generation of linear dynamic models from a digital nonlinear simulation

NASA Technical Reports Server (NTRS)

Daniele, C. J.; Krosel, S. M.

1979-01-01

The results and methodology used to derive linear models from a nonlinear simulation are presented. It is shown that averaged positive and negative perturbations in the state variables can reduce numerical errors in finite difference, partial derivative approximations and, in the control inputs, can better approximate the system response in both directions about the operating point. Both explicit and implicit formulations are addressed. Linear models are derived for the F 100 engine, and comparisons of transients are made with the nonlinear simulation. The problem of startup transients in the nonlinear simulation in making these comparisons is addressed. Also, reduction of the linear models is investigated using the modal and normal techniques. Reduced-order models of the F 100 are derived and compared with the full-state models.

Time for a change: dynamic urban ecology.

PubMed

Ramalho, Cristina E; Hobbs, Richard J

2012-03-01

Contemporary cities are expanding rapidly in a spatially complex, non-linear manner. However, this form of expansion is rarely taken into account in the way that urbanization is classically assessed in ecological studies. An explicit consideration of the temporal dynamics, although frequently missing, is crucial in order to understand the effects of urbanization on biodiversity and ecosystem functioning in rapidly urbanizing landscapes. In particular, a temporal perspective highlights the importance of land-use legacies and transient dynamics in the response of biodiversity to environmental change. Here, we outline the essential elements of an emerging framework for urban ecology that incorporates the characteristics of contemporary urbanization and thus empowers ecologists to understand and intervene in the planning and management of cities. Copyright © 2011 Elsevier Ltd. All rights reserved.

Disentangling polydispersity in the PCNA−p15PAF complex, a disordered, transient and multivalent macromolecular assembly

PubMed Central

Cordeiro, Tiago N.; Chen, Po-chia; De Biasio, Alfredo; Sibille, Nathalie; Blanco, Francisco J.; Hub, Jochen S.; Crehuet, Ramon

2017-01-01

Abstract The intrinsically disordered p15PAF regulates DNA replication and repair when interacting with the Proliferating Cell Nuclear Antigen (PCNA) sliding clamp. As many interactions between disordered proteins and globular partners involved in signaling and regulation, the complex between p15PAF and trimeric PCNA is of low affinity, forming a transient complex that is difficult to characterize at a structural level due to its inherent polydispersity. We have determined the structure, conformational fluctuations, and relative population of the five species that coexist in solution by combining small-angle X-ray scattering (SAXS) with molecular modelling. By using explicit ensemble descriptions for the individual species, built using integrative approaches and molecular dynamics (MD) simulations, we collectively interpreted multiple SAXS profiles as population-weighted thermodynamic mixtures. The analysis demonstrates that the N-terminus of p15PAF penetrates the PCNA ring and emerges on the back face. This observation substantiates the role of p15PAF as a drag regulating PCNA processivity during DNA repair. Our study reveals the power of ensemble-based approaches to decode structural, dynamic, and thermodynamic information from SAXS data. This strategy paves the way for deciphering the structural bases of flexible, transient and multivalent macromolecular assemblies involved in pivotal biological processes. PMID:28180305

On the performance of explicit and implicit algorithms for transient thermal analysis

NASA Astrophysics Data System (ADS)

Adelman, H. M.; Haftka, R. T.

1980-09-01

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit and implicit algorithms are discussed. A promising set of implicit algorithms, known as the GEAR package is described. Four test problems, used for evaluating and comparing various algorithms, have been selected and finite element models of the configurations are discribed. These problems include a space shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system and a model of the space shuttle orbiter wing. Calculations were carried out using the SPAR finite element program, the MITAS lumped parameter program and a special purpose finite element program incorporating the GEAR algorithms. Results generally indicate a preference for implicit over explicit algorithms for solution of transient structural heat transfer problems when the governing equations are stiff. Careful attention to modeling detail such as avoiding thin or short high-conducting elements can sometimes reduce the stiffness to the extent that explicit methods become advantageous.

MSC products for the simulation of tire behavior

NASA Technical Reports Server (NTRS)

Muskivitch, John C.

1995-01-01

The modeling of tires and the simulation of tire behavior are complex problems. The MacNeal-Schwendler Corporation (MSC) has a number of finite element analysis products that can be used to address the complexities of tire modeling and simulation. While there are many similarities between the products, each product has a number of capabilities that uniquely enable it to be used for a specific aspect of tire behavior. This paper discusses the following programs: (1) MSC/NASTRAN - general purpose finite element program for linear and nonlinear static and dynamic analysis; (2) MSC/ADAQUS - nonlinear statics and dynamics finite element program; (3) MSC/PATRAN AFEA (Advanced Finite Element Analysis) - general purpose finite element program with a subset of linear and nonlinear static and dynamic analysis capabilities with an integrated version of MSC/PATRAN for pre- and post-processing; and (4) MSC/DYTRAN - nonlinear explicit transient dynamics finite element program.

Studies of implicit and explicit solution techniques in transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Adelman, H. M.; Haftka, R. T.; Robinson, J. C.

1982-01-01

Studies aimed at an increase in the efficiency of calculating transient temperature fields in complex aerospace vehicle structures are reported. The advantages and disadvantages of explicit and implicit algorithms are discussed and a promising set of implicit algorithms with variable time steps, known as GEARIB, is described. Test problems, used for evaluating and comparing various algorithms, are discussed and finite element models of the configurations are described. These problems include a coarse model of the Space Shuttle wing, an insulated frame tst article, a metallic panel for a thermal protection system, and detailed models of sections of the Space Shuttle wing. Results generally indicate a preference for implicit over explicit algorithms for transient structural heat transfer problems when the governing equations are stiff (typical of many practical problems such as insulated metal structures). The effects on algorithm performance of different models of an insulated cylinder are demonstrated. The stiffness of the problem is highly sensitive to modeling details and careful modeling can reduce the stiffness of the equations to the extent that explicit methods may become the best choice. Preliminary applications of a mixed implicit-explicit algorithm and operator splitting techniques for speeding up the solution of the algebraic equations are also described.

Studies of implicit and explicit solution techniques in transient thermal analysis of structures

NASA Astrophysics Data System (ADS)

Adelman, H. M.; Haftka, R. T.; Robinson, J. C.

1982-08-01

Studies aimed at an increase in the efficiency of calculating transient temperature fields in complex aerospace vehicle structures are reported. The advantages and disadvantages of explicit and implicit algorithms are discussed and a promising set of implicit algorithms with variable time steps, known as GEARIB, is described. Test problems, used for evaluating and comparing various algorithms, are discussed and finite element models of the configurations are described. These problems include a coarse model of the Space Shuttle wing, an insulated frame tst article, a metallic panel for a thermal protection system, and detailed models of sections of the Space Shuttle wing. Results generally indicate a preference for implicit over explicit algorithms for transient structural heat transfer problems when the governing equations are stiff (typical of many practical problems such as insulated metal structures). The effects on algorithm performance of different models of an insulated cylinder are demonstrated. The stiffness of the problem is highly sensitive to modeling details and careful modeling can reduce the stiffness of the equations to the extent that explicit methods may become the best choice. Preliminary applications of a mixed implicit-explicit algorithm and operator splitting techniques for speeding up the solution of the algebraic equations are also described.

Implementation of Free-Formulation-Based Flat Shell Elements into NASA Comet Code and Development of Nonlinear Shallow Shell Element

NASA Technical Reports Server (NTRS)

Barut, A.; Madenci, Erdogan; Tessler, A.

1997-01-01

This study presents a transient nonlinear finite element analysis within the realm of a multi-body dynamics formulation for determining the dynamic response of a moderately thick laminated shell undergoing a rapid and large rotational motion and nonlinear elastic deformations. Nonlinear strain measure and rotation, as well as 'the transverse shear deformation, are explicitly included in the formulation in order to capture the proper motion-induced stiffness of the laminate. The equations of motion are derived from the virtual work principle. The analysis utilizes a shear deformable shallow shell element along with the co-rotational form of the updated Lagrangian formulation. The shallow shell element formulation is based on the Reissner-Mindlin and Marguerre theory.

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

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

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

NASA Astrophysics Data System (ADS)

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; Martinez, Todd; Chen, Hsing-Ta; Subotnik, Joseph E.

2018-03-01

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent "spontaneous" emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using the SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978), 10.1063/1.436793] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

DOE PAGES

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; ...

2018-03-12

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less

Protein-protein structure prediction by scoring molecular dynamics trajectories of putative poses.

PubMed

Sarti, Edoardo; Gladich, Ivan; Zamuner, Stefano; Correia, Bruno E; Laio, Alessandro

2016-09-01

The prediction of protein-protein interactions and their structural configuration remains a largely unsolved problem. Most of the algorithms aimed at finding the native conformation of a protein complex starting from the structure of its monomers are based on searching the structure corresponding to the global minimum of a suitable scoring function. However, protein complexes are often highly flexible, with mobile side chains and transient contacts due to thermal fluctuations. Flexibility can be neglected if one aims at finding quickly the approximate structure of the native complex, but may play a role in structure refinement, and in discriminating solutions characterized by similar scores. We here benchmark the capability of some state-of-the-art scoring functions (BACH-SixthSense, PIE/PISA and Rosetta) in discriminating finite-temperature ensembles of structures corresponding to the native state and to non-native configurations. We produce the ensembles by running thousands of molecular dynamics simulations in explicit solvent starting from poses generated by rigid docking and optimized in vacuum. We find that while Rosetta outperformed the other two scoring functions in scoring the structures in vacuum, BACH-SixthSense and PIE/PISA perform better in distinguishing near-native ensembles of structures generated by molecular dynamics in explicit solvent. Proteins 2016; 84:1312-1320. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

New core-reflector boundary conditions for transient nodal reactor calculations

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

Lee, E.K.; Kim, C.H.; Joo, H.K.

1995-09-01

New core-reflector boundary conditions designed for the exclusion of the reflector region in transient nodal reactor calculations are formulated. Spatially flat frequency approximations for the temporal neutron behavior and two types of transverse leakage approximations in the reflector region are introduced to solve the transverse-integrated time-dependent one-dimensional diffusion equation and then to obtain relationships between net current and flux at the core-reflector interfaces. To examine the effectiveness of new core-reflector boundary conditions in transient nodal reactor computations, nodal expansion method (NEM) computations with and without explicit representation of the reflector are performed for Laboratorium fuer Reaktorregelung und Anlagen (LRA) boilingmore » water reactor (BWR) and Nuclear Energy Agency Committee on Reactor Physics (NEACRP) pressurized water reactor (PWR) rod ejection kinetics benchmark problems. Good agreement between two NEM computations is demonstrated in all the important transient parameters of two benchmark problems. A significant amount of CPU time saving is also demonstrated with the boundary condition model with transverse leakage (BCMTL) approximations in the reflector region. In the three-dimensional LRA BWR, the BCMTL and the explicit reflector model computations differ by {approximately}4% in transient peak power density while the BCMTL results in >40% of CPU time saving by excluding both the axial and the radial reflector regions from explicit computational nodes. In the NEACRP PWR problem, which includes six different transient cases, the largest difference is 24.4% in the transient maximum power in the one-node-per-assembly B1 transient results. This difference in the transient maximum power of the B1 case is shown to reduce to 11.7% in the four-node-per-assembly computations. As for the computing time, BCMTL is shown to reduce the CPU time >20% in all six transient cases of the NEACRP PWR.« less

Stability of mixed time integration schemes for transient thermal analysis

NASA Technical Reports Server (NTRS)

Liu, W. K.; Lin, J. I.

1982-01-01

A current research topic in coupled-field problems is the development of effective transient algorithms that permit different time integration methods with different time steps to be used simultaneously in various regions of the problems. The implicit-explicit approach seems to be very successful in structural, fluid, and fluid-structure problems. This paper summarizes this research direction. A family of mixed time integration schemes, with the capabilities mentioned above, is also introduced for transient thermal analysis. A stability analysis and the computer implementation of this technique are also presented. In particular, it is shown that the mixed time implicit-explicit methods provide a natural framework for the further development of efficient, clean, modularized computer codes.

Model for the dynamic responses of taste receptor cells to salty stimuli. I. Function of lipid bilayer membranes.

PubMed Central

Naito, M; Fuchikami, N; Sasaki, N; Kambara, T

1991-01-01

The dynamic response of the lipid bilayer membrane is studied theoretically using a microscopic model of the membrane. The time courses of membrane potential variations due to monovalent salt stimulation are calculated explicitly under various conditions. A set of equations describing the time evolution of membrane surface potential and diffusion potential is derived and solved numerically. It is shown that a rather simple membrane such as lipid bilayer has functions capable of reproducing the following properties of dynamic response observed in gustatory receptor potential. Initial transient depolarization does not occur under Ringer adaptation but does under water. It appears only for comparatively rapid flows of stimuli, the peak height of transient response is expressed by a power function of the flow rate, and the membrane potential gradually decreases after reaching its peak under long and strong stimulation. The dynamic responses in the present model arise from the differences between the time dependences in the surface potential phi s and the diffusion potential phi d across a membrane. Under salt stimulation phi d cannot immediately follow the variation in phi s because of the delay due to the charging up of membrane capacitance. It is suggested that lipid bilayer in the apical membrane is the most probable agency producing the initial phasic response to the stimulation. PMID:1873461

Mixed time integration methods for transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Liu, W. K.

1982-01-01

The computational methods used to predict and optimize the thermal structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a different yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

Mixed time integration methods for transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Liu, W. K.

1983-01-01

The computational methods used to predict and optimize the thermal-structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a difficult yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally-useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

A 2D Daubechies finite wavelet domain method for transient wave response analysis in shear deformable laminated composite plates

NASA Astrophysics Data System (ADS)

Nastos, C. V.; Theodosiou, T. C.; Rekatsinas, C. S.; Saravanos, D. A.

2018-03-01

An efficient numerical method is developed for the simulation of dynamic response and the prediction of the wave propagation in composite plate structures. The method is termed finite wavelet domain method and takes advantage of the outstanding properties of compactly supported 2D Daubechies wavelet scaling functions for the spatial interpolation of displacements in a finite domain of a plate structure. The development of the 2D wavelet element, based on the first order shear deformation laminated plate theory is described and equivalent stiffness, mass matrices and force vectors are calculated and synthesized in the wavelet domain. The transient response is predicted using the explicit central difference time integration scheme. Numerical results for the simulation of wave propagation in isotropic, quasi-isotropic and cross-ply laminated plates are presented and demonstrate the high spatial convergence and problem size reduction obtained by the present method.

Material Model Evaluation of a Composite Honeycomb Energy Absorber

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Annett, Martin S.; Fasanella, Edwin L.; Polanco, Michael A.

2012-01-01

A study was conducted to evaluate four different material models in predicting the dynamic crushing response of solid-element-based models of a composite honeycomb energy absorber, designated the Deployable Energy Absorber (DEA). Dynamic crush tests of three DEA components were simulated using the nonlinear, explicit transient dynamic code, LS-DYNA . In addition, a full-scale crash test of an MD-500 helicopter, retrofitted with DEA blocks, was simulated. The four material models used to represent the DEA included: *MAT_CRUSHABLE_FOAM (Mat 63), *MAT_HONEYCOMB (Mat 26), *MAT_SIMPLIFIED_RUBBER/FOAM (Mat 181), and *MAT_TRANSVERSELY_ANISOTROPIC_CRUSHABLE_FOAM (Mat 142). Test-analysis calibration metrics included simple percentage error comparisons of initial peak acceleration, sustained crush stress, and peak compaction acceleration of the DEA components. In addition, the Roadside Safety Verification and Validation Program (RSVVP) was used to assess similarities and differences between the experimental and analytical curves for the full-scale crash test.

Impact of transient climate change upon Grouse population dynamics in the Italian Alps

NASA Astrophysics Data System (ADS)

Pirovano, Andrea; Bocchiola, Daniele

2010-05-01

Understanding the effect of short to medium term weather condition, and of transient global warming upon wildlife species life history is essential to predict the demographic consequences therein, and possibly develop adaptation strategies, especially in game species, where hunting mortality may play an important role in population dynamics. We carried out a preliminary investigation of observed impact of weather variables upon population dynamics indexes of three alpine Grouse species (i.e. Rock Ptarmigan, Lagopus Mutus, Black Grouse, Tetrao Tetrix, Rock Partridge, Alectoris Graeca), nested within central Italian Alps, based upon 15 years (1995-2009) of available censuses data, provided by the Sondrio Province authority. We used a set of climate variables already highlighted within recent literature for carrying considerable bearing on Grouse population dynamics, including e.g. temperature at hatching time and during winter, snow cover at nesting, and precipitation during nursing period. We then developed models of Grouses' population dynamics by explicitly driving population change according to their dependence upon the significant weather variables and population density and we evaluated objective indexes to assess the so obtained predictive power. Eventually, we develop projection of future local climate, based upon locally derived trends, and upon projections from GCMs (A2 IPCC storyline) already validated for the area, to project forward in time (until 2100 or so) the significant climatic variables, which we then use to force population dynamics models of the target species. The projected patterns obtained through this exercise are discussed and compared against those expected under stationary climate conditions at present, and preliminary conclusions are drawn.

Recovery time after localized perturbations in complex dynamical networks

NASA Astrophysics Data System (ADS)

Mitra, Chiranjit; Kittel, Tim; Choudhary, Anshul; Kurths, Jürgen; Donner, Reik V.

2017-10-01

Maintaining the synchronous motion of dynamical systems interacting on complex networks is often critical to their functionality. However, real-world networked dynamical systems operating synchronously are prone to random perturbations driving the system to arbitrary states within the corresponding basin of attraction, thereby leading to epochs of desynchronized dynamics with a priori unknown durations. Thus, it is highly relevant to have an estimate of the duration of such transient phases before the system returns to synchrony, following a random perturbation to the dynamical state of any particular node of the network. We address this issue here by proposing the framework of single-node recovery time (SNRT) which provides an estimate of the relative time scales underlying the transient dynamics of the nodes of a network during its restoration to synchrony. We utilize this in differentiating the particularly slow nodes of the network from the relatively fast nodes, thus identifying the critical nodes which when perturbed lead to significantly enlarged recovery time of the system before resuming synchronized operation. Further, we reveal explicit relationships between the SNRT values of a network, and its global relaxation time when starting all the nodes from random initial conditions. Earlier work on relaxation time generally focused on investigating its dependence on macroscopic topological properties of the respective network. However, we employ the proposed concept for deducing microscopic relationships between topological features of nodes and their respective SNRT values. The framework of SNRT is further extended to a measure of resilience of the different nodes of a networked dynamical system. We demonstrate the potential of SNRT in networks of Rössler oscillators on paradigmatic topologies and a model of the power grid of the United Kingdom with second-order Kuramoto-type nodal dynamics illustrating the conceivable practical applicability of the proposed concept.

Causal tapestries for psychology and physics.

PubMed

Sulis, William H

2012-04-01

Archetypal dynamics is a formal approach to the modeling of information flow in complex systems used to study emergence. It is grounded in the Fundamental Triad of realisation (system), interpretation (archetype) and representation (formal model). Tapestries play a fundamental role in the framework of archetypal dynamics as a formal representational system. They represent information flow by means of multi layered, recursive, interlinked graphical structures that express both geometry (form or sign) and logic (semantics). This paper presents a detailed mathematical description of a specific tapestry model, the causal tapestry, selected for use in describing behaving systems such as appear in psychology and physics from the standpoint of Process Theory. Causal tapestries express an explicit Lorentz invariant transient now generated by means of a reality game. Observables are represented by tapestry informons while subjective or hidden components (for example intellectual and emotional processes) are incorporated into the reality game that determines the tapestry dynamics. As a specific example, we formulate a random graphical dynamical system using causal tapestries.

E9-Im9 Colicin DNase−Immunity Protein Biomolecular Association in Water: A Multiple-Copy and Accelerated Molecular Dynamics Simulation Study

PubMed Central

2008-01-01

Protein−protein transient and dynamic interactions underlie all biological processes. The molecular dynamics (MD) of the E9 colicin DNase protein, its Im9 inhibitor protein, and their E9-Im9 recognition complex are investigated by combining multiple-copy (MC) MD and accelerated MD (aMD) explicit-solvent simulation approaches, after validation with crystalline-phase and solution experiments. Im9 shows higher flexibility than its E9 counterpart. Im9 displays a significant reduction of backbone flexibility and a remarkable increase in motional correlation upon E9 association. Im9 loops 23−31 and 54−64 open with respect to the E9-Im9 X-ray structure and show high conformational diversity. Upon association a large fraction (∼20 nm2) of E9 and Im9 protein surfaces become inaccessible to water. Numerous salt bridges transiently occurring throughout our six 50 ns long MC-MD simulations are not present in the X-ray model. Among these Im9 Glu31−E9 Arg96 and Im9 Glu41−Lys89 involve interface interactions. Through the use of 10 ns of Im9 aMD simulation, we reconcile the largest thermodynamic impact measured for Asp51Ala mutation with Im9 structure and dynamics. Lys57 acts as an essential molecular switch to shift Im9 surface loop towards an ideal configuration for E9 inhibition. This is achieved by switching Asp60−Lys57 and Asp62−Lys57 hydrogen bonds to Asp51−Lys57 salt bridge. E9-Im9 recognition involves shifts of conformational distributions, reorganization of intramolecular hydrogen bond patterns, and formation of new inter- and intramolecular interactions. The description of key transient biological interactions can be significantly enriched by the dynamic and atomic-level information provided by computer simulations. PMID:19053689

Some aspects of algorithm performance and modeling in transient analysis of structures

NASA Technical Reports Server (NTRS)

Adelman, H. M.; Haftka, R. T.; Robinson, J. C.

1981-01-01

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit algorithms with variable time steps, known as the GEAR package, is described. Four test problems, used for evaluating and comparing various algorithms, were selected and finite-element models of the configurations are described. These problems include a space shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system, and a model of the wing of the space shuttle orbiter. Results generally indicate a preference for implicit over explicit algorithms for solution of transient structural heat transfer problems when the governing equations are stiff (typical of many practical problems such as insulated metal structures).

Modelling explicit fracture of nuclear fuel pellets using peridynamics

NASA Astrophysics Data System (ADS)

Mella, R.; Wenman, M. R.

2015-12-01

Three dimensional models of explicit cracking of nuclear fuel pellets for a variety of power ratings have been explored with peridynamics, a non-local, mesh free, fracture mechanics method. These models were implemented in the explicitly integrated molecular dynamics code LAMMPS, which was modified to include thermal strains in solid bodies. The models of fuel fracture, during initial power transients, are shown to correlate with the mean number of cracks observed on the inner and outer edges of the pellet, by experimental post irradiation examination of fuel, for power ratings of 10 and 15 W g-1 UO2. The models of the pellet show the ability to predict expected features such as the mid-height pellet crack, the correct number of radial cracks and initiation and coalescence of radial cracks. This work presents a modelling alternative to empirical fracture data found in many fuel performance codes and requires just one parameter of fracture strain. Weibull distributions of crack numbers were fitted to both numerical and experimental data using maximum likelihood estimation so that statistical comparison could be made. The findings show P-values of less than 0.5% suggesting an excellent agreement between model and experimental distributions.

Co-simulation coupling spectral/finite elements for 3D soil/structure interaction problems

NASA Astrophysics Data System (ADS)

Zuchowski, Loïc; Brun, Michael; De Martin, Florent

2018-05-01

The coupling between an implicit finite elements (FE) code and an explicit spectral elements (SE) code has been explored for solving the elastic wave propagation in the case of soil/structure interaction problem. The coupling approach is based on domain decomposition methods in transient dynamics. The spatial coupling at the interface is managed by a standard coupling mortar approach, whereas the time integration is dealt with an hybrid asynchronous time integrator. An external coupling software, handling the interface problem, has been set up in order to couple the FE software Code_Aster with the SE software EFISPEC3D.

GILA User's Manual

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

CHRISTON, MARK A.

2003-06-01

GILA is a finite element code that has been developed specifically to attack the class of transient, incompressible, viscous, fluid dynamics problems that are predominant in the world that surrounds us. The purpose for this document is to provide sufficient information for an experienced analyst to use GILA in an effective way. The GILA User's Manual presents a technical outline of the governing equations for time-dependent incompressible flow, and the explicit and semi-implicit projection methods used in GILA to solve the equations. This manual also presents a brief overview of some of GILA's capabilities along with the keyword input syntaxmore » and sample problems.« less

Transients in the synchronization of asymmetrically coupled oscillator arrays

NASA Astrophysics Data System (ADS)

Cantos, C. E.; Hammond, D. K.; Veerman, J. J. P.

2016-09-01

We consider the transient behavior of a large linear array of coupled linear damped harmonic oscillators following perturbation of a single element. Our work is motivated by modeling the behavior of flocks of autonomous vehicles. We first state a number of conjectures that allow us to derive an explicit characterization of the transients, within a certain parameter regime Ω. As corollaries we show that minimizing the transients requires considering non-symmetric coupling, and that within Ω the computed linear growth in N of the transients is independent of (reasonable) boundary conditions.

Conjugate Compressible Fluid Flow and Heat Transfer in Ducts

NASA Technical Reports Server (NTRS)

Cross, M. F.

2011-01-01

A computational approach to modeling transient, compressible fluid flow with heat transfer in long, narrow ducts is presented. The primary application of the model is for analyzing fluid flow and heat transfer in solid propellant rocket motor nozzle joints during motor start-up, but the approach is relevant to a wide range of analyses involving rapid pressurization and filling of ducts. Fluid flow is modeled through solution of the spatially one-dimensional, transient Euler equations. Source terms are included in the governing equations to account for the effects of wall friction and heat transfer. The equation solver is fully-implicit, thus providing greater flexibility than an explicit solver. This approach allows for resolution of pressure wave effects on the flow as well as for fast calculation of the steady-state solution when a quasi-steady approach is sufficient. Solution of the one-dimensional Euler equations with source terms significantly reduces computational run times compared to general purpose computational fluid dynamics packages solving the Navier-Stokes equations with resolved boundary layers. In addition, conjugate heat transfer is more readily implemented using the approach described in this paper than with most general purpose computational fluid dynamics packages. The compressible flow code has been integrated with a transient heat transfer solver to analyze heat transfer between the fluid and surrounding structure. Conjugate fluid flow and heat transfer solutions are presented. The author is unaware of any previous work available in the open literature which uses the same approach described in this paper.

Transient analysis of a thermal storage unit involving a phase change material

NASA Technical Reports Server (NTRS)

Griggs, E. I.; Pitts, D. R.; Humphries, W. R.

1974-01-01

The transient response of a single cell of a typical phase change material type thermal capacitor has been modeled using numerical conductive heat transfer techniques. The cell consists of a base plate, an insulated top, and two vertical walls (fins) forming a two-dimensional cavity filled with a phase change material. Both explicit and implicit numerical formulations are outlined. A mixed explicit-implicit scheme which treats the fin implicity while treating the phase change material explicitly is discussed. A band algorithmic scheme is used to reduce computer storage requirements for the implicit approach while retaining a relatively fine grid. All formulations are presented in dimensionless form thereby enabling application to geometrically similar problems. Typical parametric results are graphically presented for the case of melting with constant heat input to the base of the cell.

Transient Absorption of Attosecond Pulses by He Atoms in Presence of Near-Infrared Laser Fields: A TDDFT Analysis of Sub-Cycle Temporal Structures

NASA Astrophysics Data System (ADS)

Heslar, John; Telnov, Dmitry; Chu, Shih-I.

2013-05-01

We study transient absorption of extreme ultraviolet (XUV) attosecond pulses in presence of near-infrared (NIR) laser fields by analyzing the population and photon emission of excited atomic energy levels. We consider He atoms and apply a self-interaction-free fully ab initio time-dependent density functional theory (TDDFT). Our method is based on the Krieger-Li-Iafrate (KLI) treatment of the optimized effective potential and incorporates explicitly the self-interaction correction. We focus on the sub-cycle (with respect to NIR field) temporal behavior of the population of the excited energy levels and related dynamics of photon emission. We observe and identify sub-cycle shifts in the photon emission spectrum as a function of the time delay between the XUV and NIR pulses. In the region where the two pulses overlap, the photon emission peaks have an oscillatory structure with a period of 1.3 fs, which is half of the NIR laser optical cycle. Such a structure was also observed in recent experiments on transient absorption. This work was partially supported by DOE and by MOE-NSC-NTU-Taiwan.

Dynamic Beam Solutions for Real-Time Simulation and Control Development of Flexible Rockets

NASA Technical Reports Server (NTRS)

Su, Weihua; King, Cecilia K.; Clark, Scott R.; Griffin, Edwin D.; Suhey, Jeffrey D.; Wolf, Michael G.

2016-01-01

In this study, flexible rockets are structurally represented by linear beams. Both direct and indirect solutions of beam dynamic equations are sought to facilitate real-time simulation and control development for flexible rockets. The direct solution is completed by numerically integrate the beam structural dynamic equation using an explicit Newmark-based scheme, which allows for stable and fast transient solutions to the dynamics of flexile rockets. Furthermore, in the real-time operation, the bending strain of the beam is measured by fiber optical sensors (FOS) at intermittent locations along the span, while both angular velocity and translational acceleration are measured at a single point by the inertial measurement unit (IMU). Another study in this paper is to find the analytical and numerical solutions of the beam dynamics based on the limited measurement data to facilitate the real-time control development. Numerical studies demonstrate the accuracy of these real-time solutions to the beam dynamics. Such analytical and numerical solutions, when integrated with data processing and control algorithms and mechanisms, have the potential to increase launch availability by processing flight data into the flexible launch vehicle's control system.

Impact Testing and Simulation of a Crashworthy Composite Fuselage Section with Energy-Absorbing Seats and Dummies

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.

2002-01-01

A 25-ft/s vertical drop test of a composite fuselage section was conducted with two energy-absorbing seats occupied by anthropomorphic dummies to evaluate the crashworthy features of the fuselage section and to determine its interaction with the seats and dummies. The 5-ft. diameter fuselage section consists of a stiff structural floor and an energy-absorbing subfloor constructed of Rohacel foam blocks. The experimental data from this test were analyzed and correlated with predictions from a crash simulation developed using the nonlinear, explicit transient dynamic computer code, MSC.Dytran. The anthropomorphic dummies were simulated using the Articulated Total Body (ATB) code, which is integrated into MSC.Dytran.

Impact Testing and Simulation of a Crashworthy Composite Fuselage Section with Energy-Absorbing Seats and Dummies

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.

2002-01-01

A 25-ft/s vertical drop test of a composite fuselage section was conducted with two energy-absorbing seats occupied by anthropomorphic dummies to evaluate the crashworthy features of the fuselage section and to determine its interaction with the seats and dummies. The 5-ft diameter fuselage section consists of a stiff structural floor and an energy-absorbing subfloor constructed of Rohacel foam blocks. The experimental data from this test were analyzed and correlated with predictions from a crash simulation developed using the nonlinear, explicit transient dynamic computer code, MSC.Dytran. The anthropomorphic dummies were simulated using the Articulated Total Body (ATB) code, which is integrated into MSC.Dytran.

Finite element solution for energy conservation using a highly stable explicit integration algorithm

NASA Technical Reports Server (NTRS)

Baker, A. J.; Manhardt, P. D.

1972-01-01

Theoretical derivation of a finite element solution algorithm for the transient energy conservation equation in multidimensional, stationary multi-media continua with irregular solution domain closure is considered. The complete finite element matrix forms for arbitrarily irregular discretizations are established, using natural coordinate function representations. The algorithm is embodied into a user-oriented computer program (COMOC) which obtains transient temperature distributions at the node points of the finite element discretization using a highly stable explicit integration procedure with automatic error control features. The finite element algorithm is shown to posses convergence with discretization for a transient sample problem. The condensed form for the specific heat element matrix is shown to be preferable to the consistent form. Computed results for diverse problems illustrate the versatility of COMOC, and easily prepared output subroutines are shown to allow quick engineering assessment of solution behavior.

On the slow dynamics of near-field acoustically levitated objects under High excitation frequencies

NASA Astrophysics Data System (ADS)

Ilssar, Dotan; Bucher, Izhak

2015-10-01

This paper introduces a simplified analytical model describing the governing dynamics of near-field acoustically levitated objects. The simplification converts the equation of motion coupled with the partial differential equation of a compressible fluid, into a compact, second order ordinary differential equation, where the local stiffness and damping are transparent. The simplified model allows one to more easily analyse and design near-field acoustic levitation based systems, and it also helps to devise closed-loop controller algorithms for such systems. Near-field acoustic levitation employs fast ultrasonic vibrations of a driving surface and exploits the viscosity and the compressibility of a gaseous medium to achieve average, load carrying pressure. It is demonstrated that the slow dynamics dominates the transient behaviour, while the time-scale associated with the fast, ultrasonic excitation has a small presence in the oscillations of the levitated object. Indeed, the present paper formulates the slow dynamics under an ultrasonic excitation without the need to explicitly consider the latter. The simplified model is compared with a numerical scheme based on Reynolds equation and with experiments, both showing reasonably good results.

Recursive thoughts on the simulation of the flexible multibody dynamics of slender offshore structures

NASA Astrophysics Data System (ADS)

Schilder, J.; Ellenbroek, M.; de Boer, A.

2017-12-01

In this work, the floating frame of reference formulation is used to create a flexible multibody model of slender offshore structures such as pipelines and risers. It is shown that due to the chain-like topology of the considered structures, the equation of motion can be expressed in terms of absolute interface coordinates. In the presented form, kinematic constraint equations are satisfied explicitly and the Lagrange multipliers are eliminated from the equations. Hence, the structures can be conveniently coupled to finite element or multibody models of for example seabed and vessel. The chain-like topology enables the efficient use of recursive solution procedures for both transient dynamic analysis and equilibrium analysis. For this, the transfer matrix method is used. In order to improve the convergence of the equilibrium analysis, the analytical solution of an ideal catenary is used as an initial configuration, reducing the number of required iterations.

Prescribed-performance fault-tolerant control for feedback linearisable systems with an aircraft application

NASA Astrophysics Data System (ADS)

Gao, Gang; Wang, Jinzhi; Wang, Xianghua

2017-05-01

This paper investigates fault-tolerant control (FTC) for feedback linearisable systems (FLSs) and its application to an aircraft. To ensure desired transient and steady-state behaviours of the tracking error under actuator faults, the dynamic effect caused by the actuator failures on the error dynamics of a transformed model is analysed, and three control strategies are designed. The first FTC strategy is proposed as a robust controller, which relies on the explicit information about several parameters of the actuator faults. To eliminate the need for these parameters and the input chattering phenomenon, the robust control law is later combined with the adaptive technique to generate the adaptive FTC law. Next, the adaptive control law is further improved to achieve the prescribed performance under more severe input disturbance. Finally, the proposed control laws are applied to an air-breathing hypersonic vehicle (AHV) subject to actuator failures, which confirms the effectiveness of the proposed strategies.

Isogeometric Collocation for Elastostatics and Explicit Dynamics

DTIC Science & Technology

2012-01-25

ICES REPORT 12-07 January 2012 Isogeometric collocation for elastostatics and explicit dynamics by F. Auricchio, L. Beirao da Veiga , T.J.R. Hughes, A...Auricchio, L. Beirao da Veiga , T.J.R. Hughes, A. Reali, G. Sangalli, Isogeometric collocation for elastostatics and explicit dynamics, ICES REPORT 12-07...Isogeometric collocation for elastostatics and explicit dynamics F. Auricchio a,c, L. Beirão da Veiga b,c, T.J.R. Hughes d, A. Reali a,c,∗, G

Computational Methods for Structural Mechanics and Dynamics

NASA Technical Reports Server (NTRS)

Stroud, W. Jefferson (Editor); Housner, Jerrold M. (Editor); Tanner, John A. (Editor); Hayduk, Robert J. (Editor)

1989-01-01

Topics addressed include: transient dynamics; transient finite element method; transient analysis in impact and crash dynamic studies; multibody computer codes; dynamic analysis of space structures; multibody mechanics and manipulators; spatial and coplanar linkage systems; flexible body simulation; multibody dynamics; dynamical systems; and nonlinear characteristics of joints.

Explicit symplectic algorithms based on generating functions for charged particle dynamics.

PubMed

Zhang, Ruili; Qin, Hong; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan

2016-07-01

Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H(x,p)=p_{i}f(x) or H(x,p)=x_{i}g(p). Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency.

Explicit symplectic algorithms based on generating functions for charged particle dynamics

NASA Astrophysics Data System (ADS)

Zhang, Ruili; Qin, Hong; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan

2016-07-01

Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H (x ,p ) =pif (x ) or H (x ,p ) =xig (p ) . Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency.

Numerical stability of an explicit finite difference scheme for the solution of transient conduction in composite media

NASA Technical Reports Server (NTRS)

Campbell, W.

1981-01-01

A theoretical evaluation of the stability of an explicit finite difference solution of the transient temperature field in a composite medium is presented. The grid points of the field are assumed uniformly spaced, and media interfaces are either vertical or horizontal and pass through grid points. In addition, perfect contact between different media (infinite interfacial conductance) is assumed. A finite difference form of the conduction equation is not valid at media interfaces; therefore, heat balance forms are derived. These equations were subjected to stability analysis, and a computer graphics code was developed that permitted determination of a maximum time step for a given grid spacing.

A moment-convergence method for stochastic analysis of biochemical reaction networks.

PubMed

Zhang, Jiajun; Nie, Qing; Zhou, Tianshou

2016-05-21

Traditional moment-closure methods need to assume that high-order cumulants of a probability distribution approximate to zero. However, this strong assumption is not satisfied for many biochemical reaction networks. Here, we introduce convergent moments (defined in mathematics as the coefficients in the Taylor expansion of the probability-generating function at some point) to overcome this drawback of the moment-closure methods. As such, we develop a new analysis method for stochastic chemical kinetics. This method provides an accurate approximation for the master probability equation (MPE). In particular, the connection between low-order convergent moments and rate constants can be more easily derived in terms of explicit and analytical forms, allowing insights that would be difficult to obtain through direct simulation or manipulation of the MPE. In addition, it provides an accurate and efficient way to compute steady-state or transient probability distribution, avoiding the algorithmic difficulty associated with stiffness of the MPE due to large differences in sizes of rate constants. Applications of the method to several systems reveal nontrivial stochastic mechanisms of gene expression dynamics, e.g., intrinsic fluctuations can induce transient bimodality and amplify transient signals, and slow switching between promoter states can increase fluctuations in spatially heterogeneous signals. The overall approach has broad applications in modeling, analysis, and computation of complex biochemical networks with intrinsic noise.

A framework for studying transient dynamics of population projection matrix models.

PubMed

Stott, Iain; Townley, Stuart; Hodgson, David James

2011-09-01

Empirical models are central to effective conservation and population management, and should be predictive of real-world dynamics. Available modelling methods are diverse, but analysis usually focuses on long-term dynamics that are unable to describe the complicated short-term time series that can arise even from simple models following ecological disturbances or perturbations. Recent interest in such transient dynamics has led to diverse methodologies for their quantification in density-independent, time-invariant population projection matrix (PPM) models, but the fragmented nature of this literature has stifled the widespread analysis of transients. We review the literature on transient analyses of linear PPM models and synthesise a coherent framework. We promote the use of standardised indices, and categorise indices according to their focus on either convergence times or transient population density, and on either transient bounds or case-specific transient dynamics. We use a large database of empirical PPM models to explore relationships between indices of transient dynamics. This analysis promotes the use of population inertia as a simple, versatile and informative predictor of transient population density, but criticises the utility of established indices of convergence times. Our findings should guide further development of analyses of transient population dynamics using PPMs or other empirical modelling techniques. © 2011 Blackwell Publishing Ltd/CNRS.

Nucleation and evolution of spherical crystals with allowance for their unsteady-state growth rates

NASA Astrophysics Data System (ADS)

Alexandrov, D. V.

2018-02-01

The growth dynamics of a spherical crystal in a metastable liquid is analyzed theoretically. The unsteady-state contributions to the crystal radius and its growth rate are found as explicit functions of metastability level Δ and time t. It is shown that the fundamental contribution to the growth rate represents the time independent solution of a similar temperature conductivity problem (Alexandrov and Malygin 2013 J. Phys. A: Math. Theor. 46 455101) whereas the next unsteady-state contribution is proportional to Δ2 t . On the basis of these explicit unsteady-state solutions, the process of transient nucleation and growth of spherical crystals in a metastable system is theoretically studied at the intermediate stage of phase transformation. A complete analytical solution for the particle-radius distribution function and metastability level is constructed with allowance for the Weber-Volmer-Frenkel-Zel’dovich and Meirs kinetic mechanisms. It is shown that the obtained unsteady-state contribution to the crystal growth rate plays an important role in the nucleation process and drastically changes the particle-radius distribution function.

Transient modeling/analysis of hyperbolic heat conduction problems employing mixed implicit-explicit alpha method

NASA Technical Reports Server (NTRS)

Tamma, Kumar K.; D'Costa, Joseph F.

1991-01-01

This paper describes the evaluation of mixed implicit-explicit finite element formulations for hyperbolic heat conduction problems involving non-Fourier effects. In particular, mixed implicit-explicit formulations employing the alpha method proposed by Hughes et al. (1987, 1990) are described for the numerical simulation of hyperbolic heat conduction models, which involves time-dependent relaxation effects. Existing analytical approaches for modeling/analysis of such models involve complex mathematical formulations for obtaining closed-form solutions, while in certain numerical formulations the difficulties include severe oscillatory solution behavior (which often disguises the true response) in the vicinity of the thermal disturbances, which propagate with finite velocities. In view of these factors, the alpha method is evaluated to assess the control of the amount of numerical dissipation for predicting the transient propagating thermal disturbances. Numerical test models are presented, and pertinent conclusions are drawn for the mixed-time integration simulation of hyperbolic heat conduction models involving non-Fourier effects.

The Soil Foam Drainage Equation - an alternative model for unsaturated flow in porous media

NASA Astrophysics Data System (ADS)

Assouline, Shmuel; Lehmann, Peter; Hoogland, Frouke; Or, Dani

2017-04-01

The analogy between the geometry and dynamics of wet foam drainage and gravity drainage of unsaturated porous media expands modeling capabilities for capillary flows and supplements the standard Richards equation representation. The governing equation for draining foam (or a soil variant termed the soil foam drainage equation - SFDE) obviates the need for macroscopic unsaturated hydraulic conductivity function by an explicit account of diminishing flow pathway sizes as the medium gradually drains. Potential advantages of the proposed drainage foam formalism include direct description of transient flow without requiring constitutive functions; evolution of capillary cross sections that provides consistent description of self-regulating internal fluxes (e.g., towards field capacity); and a more intuitive geometrical picture of capillary flow across textural boundaries. We will present new and simple analytical expressions for drainage rates and volumes from unsaturated porous media subjected to different boundary conditions that are in good agreement with the numerical solution of the SFDE and experimental results. The foam drainage methodology expands the range of tools available for describing and quantifying unsaturated flows and provides geometrically tractable links between evolution of liquid configuration and flow dynamics in unsaturated porous media. The resulting geometrical representation of capillary drainage could improve understanding of colloid and pathogen transport. The explicit geometrical interpretation of flow pathways underlying the hydraulic functions used by the Richards equation offers new insights that benefit both approaches.

Transient thermal, hydraulic, and mechanical analysis of a counter flow offset strip fin intermediate heat exchanger using an effective porous media approach

NASA Astrophysics Data System (ADS)

Urquiza, Eugenio

This work presents a comprehensive thermal hydraulic analysis of a compact heat exchanger using offset strip fins. The thermal hydraulics analysis in this work is followed by a finite element analysis (FEA) to predict the mechanical stresses experienced by an intermediate heat exchanger (IHX) during steady-state operation and selected flow transients. In particular, the scenario analyzed involves a gas-to-liquid IHX operating between high pressure helium and liquid or molten salt. In order to estimate the stresses in compact heat exchangers a comprehensive thermal and hydraulic analysis is needed. Compact heat exchangers require very small flow channels and fins to achieve high heat transfer rates and thermal effectiveness. However, studying such small features computationally contributes little to the understanding of component level phenomena and requires prohibitive computational effort using computational fluid dynamics (CFD). To address this issue, the analysis developed here uses an effective porous media (EPM) approach; this greatly reduces the computation time and produces results with the appropriate resolution [1]. This EPM fluid dynamics and heat transfer computational code has been named the Compact Heat Exchanger Explicit Thermal and Hydraulics (CHEETAH) code. CHEETAH solves for the two-dimensional steady-state and transient temperature and flow distributions in the IHX including the complicating effects of temperature-dependent fluid thermo-physical properties. Temperature- and pressure-dependent fluid properties are evaluated by CHEETAH and the thermal effectiveness of the IHX is also calculated. Furthermore, the temperature distribution can then be imported into a finite element analysis (FEA) code for mechanical stress analysis using the EPM methods developed earlier by the University of California, Berkeley, for global and local stress analysis [2]. These simulation tools will also allow the heat exchanger design to be improved through an iterative design process which will lead to a design with a reduced pressure drop, increased thermal effectiveness, and improved mechanical performance as it relates to creep deformation and transient thermal stresses.

A modified variational method for nonlinear vibration analysis of rotating beams including Coriolis effects

NASA Astrophysics Data System (ADS)

Tian, Jiajin; Su, Jinpeng; Zhou, Kai; Hua, Hongxing

2018-07-01

This paper presents a general formulation for nonlinear vibration analysis of rotating beams. A modified variational method combined with a multi-segment partitioning technique is employed to derive the free and transient vibration behaviors of the rotating beams. The strain energy and kinetic energy functional are formulated based on the order truncation principle of the fully geometrically nonlinear beam theory. The Coriolis effects as well as nonlinear effects due to the coupling of bending-stretching, bending-twist and twist-stretching are taken into account. The present method relaxes the need to explicitly meet the requirements of the boundary conditions for the admissible functions, and allows the use of any linearly independent, complete basis functions as admissible functions for rotating beams. Moreover, the method is readily used to deal with the nonlinear transient vibration problems for rotating beams subjected to dynamic loads. The accuracy, convergence and efficiency of the proposed method are examined by numerical examples. The influences of Coriolis and centrifugal forces on the vibration behaviors of the beams with various hub radiuses and slenderness ratios and rotating at different angular velocities are also investigated.

The Nonstationary Dynamics of Fitness Distributions: Asexual Model with Epistasis and Standing Variation

PubMed Central

Martin, Guillaume; Roques, Lionel

2016-01-01

Various models describe asexual evolution by mutation, selection, and drift. Some focus directly on fitness, typically modeling drift but ignoring or simplifying both epistasis and the distribution of mutation effects (traveling wave models). Others follow the dynamics of quantitative traits determining fitness (Fisher’s geometric model), imposing a complex but fixed form of mutation effects and epistasis, and often ignoring drift. In all cases, predictions are typically obtained in high or low mutation rate limits and for long-term stationary regimes, thus losing information on transient behaviors and the effect of initial conditions. Here, we connect fitness-based and trait-based models into a single framework, and seek explicit solutions even away from stationarity. The expected fitness distribution is followed over time via its cumulant generating function, using a deterministic approximation that neglects drift. In several cases, explicit trajectories for the full fitness distribution are obtained for arbitrary mutation rates and standing variance. For nonepistatic mutations, especially with beneficial mutations, this approximation fails over the long term but captures the early dynamics, thus complementing stationary stochastic predictions. The approximation also handles several diminishing returns epistasis models (e.g., with an optimal genotype); it can be applied at and away from equilibrium. General results arise at equilibrium, where fitness distributions display a “phase transition” with mutation rate. Beyond this phase transition, in Fisher’s geometric model, the full trajectory of fitness and trait distributions takes a simple form; robust to the details of the mutant phenotype distribution. Analytical arguments are explored regarding why and when the deterministic approximation applies. PMID:27770037

Occupant Responses in a Full-Scale Crash Test of the Sikorsky ACAP Helicopter

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Boitnott, Richard L.; McEntire, Joseph; Lewis, Alan

2002-01-01

A full-scale crash test of the Sikorsky Advanced Composite Airframe Program (ACAP) helicopter was performed in 1999 to generate experimental data for correlation with a crash simulation developed using an explicit nonlinear, transient dynamic finite element code. The airframe was the residual flight test hardware from the ACAP program. For the test, the aircraft was outfitted with two crew and two troop seats, and four anthropomorphic test dummies. While the results of the impact test and crash simulation have been documented fairly extensively in the literature, the focus of this paper is to present the detailed occupant response data obtained from the crash test and to correlate the results with injury prediction models. These injury models include the Dynamic Response Index (DRI), the Head Injury Criteria (HIC), the spinal load requirement defined in FAR Part 27.562(c), and a comparison of the duration and magnitude of the occupant vertical acceleration responses with the Eiband whole-body acceleration tolerance curve.

A moment-convergence method for stochastic analysis of biochemical reaction networks

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

Zhang, Jiajun; Nie, Qing; Zhou, Tianshou, E-mail: mcszhtsh@mail.sysu.edu.cn

Traditional moment-closure methods need to assume that high-order cumulants of a probability distribution approximate to zero. However, this strong assumption is not satisfied for many biochemical reaction networks. Here, we introduce convergent moments (defined in mathematics as the coefficients in the Taylor expansion of the probability-generating function at some point) to overcome this drawback of the moment-closure methods. As such, we develop a new analysis method for stochastic chemical kinetics. This method provides an accurate approximation for the master probability equation (MPE). In particular, the connection between low-order convergent moments and rate constants can be more easily derived in termsmore » of explicit and analytical forms, allowing insights that would be difficult to obtain through direct simulation or manipulation of the MPE. In addition, it provides an accurate and efficient way to compute steady-state or transient probability distribution, avoiding the algorithmic difficulty associated with stiffness of the MPE due to large differences in sizes of rate constants. Applications of the method to several systems reveal nontrivial stochastic mechanisms of gene expression dynamics, e.g., intrinsic fluctuations can induce transient bimodality and amplify transient signals, and slow switching between promoter states can increase fluctuations in spatially heterogeneous signals. The overall approach has broad applications in modeling, analysis, and computation of complex biochemical networks with intrinsic noise.« less

Charge Carriers Modulate the Bonding of Semiconductor Nanoparticle Dopants As Revealed by Time-Resolved X-ray Spectroscopy

DOE PAGES

Hassan, Asra; Zhang, Xiaoyi; Liu, Xiaohan; ...

2017-08-28

Understanding the electronic structure of doped semiconductors is essential to realize advancements in electronics and in the rational design of nanoscale devices. Here, we report the results of time-resolved X-ray absorption studies on copper-doped cadmium sulfide nanoparticles that provide an explicit description of the electronic dynamics of the dopants. The interaction of a dopant ion and an excess charge carrier is unambiguously observed via monitoring the oxidation state. The experimental data combined with DFT calculations demonstrate that dopant bonding to the host matrix is modulated by its interaction with charge carriers. Additionally, the transient photoluminescence and the kinetics of dopantmore » oxidation reveal the presence of two types of surface-bound ions that create mid-gap states.« less

Analysis of Temperature and Humidity Field in a New Bulk Tobacco Curing Barn Based on CFD.

PubMed

Bai, Zhipeng; Guo, Duoduo; Li, Shoucang; Hu, Yaohua

2017-01-31

A new structure bulk tobacco curing barn was presented. To study the temperature and humidity field in the new structure tobacco curing barn, a 3D transient computational fluid dynamics (CFD) model was developed using porous medium, species transport, κ-ε turbulence and discrete phase models. The CFD results demonstrated that (1) the temperature and relative humidity predictions were validated by the experimental results, and comparison of simulation results with experimental data showed a fairly close agreement; (2) the temperature of the bottom and inlet area was higher than the top and outlet area, and water vapor concentrated on the top and outlet area in the barn; (3) tobacco loading density and thickness of tobacco leaves had an explicit effect on the temperature distributions in the barn.

Charge Carriers Modulate the Bonding of Semiconductor Nanoparticle Dopants As Revealed by Time-Resolved X-ray Spectroscopy

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

Hassan, Asra; Zhang, Xiaoyi; Liu, Xiaohan

Understanding the electronic structure of doped semiconductors is essential to realize advancements in electronics and in the rational design of nanoscale devices. Here, we report the results of time-resolved X-ray absorption studies on copper-doped cadmium sulfide nanoparticles that provide an explicit description of the electronic dynamics of the dopants. The interaction of a dopant ion and an excess charge carrier is unambiguously observed via monitoring the oxidation state. The experimental data combined with DFT calculations demonstrate that dopant bonding to the host matrix is modulated by its interaction with charge carriers. Additionally, the transient photoluminescence and the kinetics of dopantmore » oxidation reveal the presence of two types of surface-bound ions that create mid-gap states.« less

Transient Finite Element Computations on a Variable Transputer System

NASA Technical Reports Server (NTRS)

Smolinski, Patrick J.; Lapczyk, Ireneusz

1993-01-01

A parallel program to analyze transient finite element problems was written and implemented on a system of transputer processors. The program uses the explicit time integration algorithm which eliminates the need for equation solving, making it more suitable for parallel computations. An interprocessor communication scheme was developed for arbitrary two dimensional grid processor configurations. Several 3-D problems were analyzed on a system with a small number of processors.

Intra- and intermolecular interaction inducing pyramidalization on both sides of a proline dipeptide during isomerization: an ab initio QM/MM molecular dynamics simulation study in explicit water.

PubMed

Yonezawa, Yasushige; Nakata, Kazuto; Sakakura, Kota; Takada, Toshikazu; Nakamura, Haruki

2009-04-01

The cis-trans isomerization of the peptide bond preceding a proline plays important roles in protein folding and biological function. Although many experimental and theoretical studies have been done, the mechanism has not yet been clearly elucidated. We studied the cis-trans isomerization of the proline dipeptide (Ace-Pro-NMe) in explicit water by molecular dynamics simulations using a combined potential derived from ab initio quantum mechanics and empirical molecular mechanics. We obtained the free energy landscape during the isomerization by using the umbrella sampling method. The free energy landscape is in good accordance with previous experimental and theoretical values. We observed that in the middle of the isomerization, the prolyl nitrogen transiently takes pyramidal conformations in two polarized directions and that, simultaneously, the prolyl C-N bond extends. We show that these geometrical changes cooperatively transform the prolyl nitrogen from a sp(2)-hybridized electronic state into a sp(3)-hybridized one, and thus realize a transition state that reduces the rotational barriers separating the cis- and trans-states. We also found that the hydration of the prolyl nitrogen stabilizes the negative pyramidal conformation, while an intramolecular interaction mainly stabilizes the positive one. Fluctuations in the polarity and magnitude of the pyramidal conformation during the isomerization are interpreted as a competition between the hydrogen-bonding partners for the prolyl nitrogen between different sides of the pyrrolidine ring.

The joy of transient chaos.

PubMed

Tél, Tamás

2015-09-01

We intend to show that transient chaos is a very appealing, but still not widely appreciated, subfield of nonlinear dynamics. Besides flashing its basic properties and giving a brief overview of the many applications, a few recent transient-chaos-related subjects are introduced in some detail. These include the dynamics of decision making, dispersion, and sedimentation of volcanic ash, doubly transient chaos of undriven autonomous mechanical systems, and a dynamical systems approach to energy absorption or explosion.

Large-scale atomistic calculations of clusters in intense x-ray pulses

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

Ho, Phay J.; Knight, Chris

Here, we present the methodology of our recently developed Monte-Carlo/ Molecular-Dynamics method for studying the fundamental ultrafast dynamics induced by high-fluence, high-intensity x-ray free electron laser (XFEL) pulses in clusters. The quantum nature of the initiating ionization process is accounted for by a Monte Carlo method to calculate probabilities of electronic transitions, including photo absorption, inner-shell relaxation, photon scattering, electron collision and recombination dynamics, and thus track the transient electronic configurations explicitly. The freed electrons and ions are followed by classical particle trajectories using a molecular dynamics algorithm. These calculations reveal the surprising role of electron-ion recombination processes that leadmore » to the development of nonuniform spatial charge density profiles in x-ray excited clusters over femtosecond timescales. In the high-intensity limit, it is important to include the recombination dynamics in the calculated scattering response even for a 2- fs pulse. We also demonstrate that our numerical codes and algorithms can make e!cient use of the computational power of massively parallel supercomputers to investigate the intense-field dynamics in systems with increasing complexity and size at the ultrafast timescale and in non-linear x-ray interaction regimes. In particular, picosecond trajectories of XFEL clusters with attosecond time resolution containing millions of particles can be e!ciently computed on upwards of 262,144 processes.« less

Large-scale atomistic calculations of clusters in intense x-ray pulses

DOE PAGES

Ho, Phay J.; Knight, Chris

2017-04-28

Here, we present the methodology of our recently developed Monte-Carlo/ Molecular-Dynamics method for studying the fundamental ultrafast dynamics induced by high-fluence, high-intensity x-ray free electron laser (XFEL) pulses in clusters. The quantum nature of the initiating ionization process is accounted for by a Monte Carlo method to calculate probabilities of electronic transitions, including photo absorption, inner-shell relaxation, photon scattering, electron collision and recombination dynamics, and thus track the transient electronic configurations explicitly. The freed electrons and ions are followed by classical particle trajectories using a molecular dynamics algorithm. These calculations reveal the surprising role of electron-ion recombination processes that leadmore » to the development of nonuniform spatial charge density profiles in x-ray excited clusters over femtosecond timescales. In the high-intensity limit, it is important to include the recombination dynamics in the calculated scattering response even for a 2- fs pulse. We also demonstrate that our numerical codes and algorithms can make e!cient use of the computational power of massively parallel supercomputers to investigate the intense-field dynamics in systems with increasing complexity and size at the ultrafast timescale and in non-linear x-ray interaction regimes. In particular, picosecond trajectories of XFEL clusters with attosecond time resolution containing millions of particles can be e!ciently computed on upwards of 262,144 processes.« less

Transient synchrony among populations of five foliage-feeding Lepidoptera

Treesearch

Maartje J. Klapwijk; Jonathan A. Walter; Anikó Hirka; György Csóka; Christer Björkman; Andrew M. Liebhold

2018-01-01

Studies of transient population dynamics have largely focused on temporal changes in dynamical behaviour, such as the transition between periods of stability and instability. This study explores a related dynamic pattern, namely transient synchrony during a 49-year period among populations of five sympatric species of forest insects that share host tree resources. The...

Universal avalanche statistics and triggering close to failure in a mean-field model of rheological fracture

NASA Astrophysics Data System (ADS)

Baró, Jordi; Davidsen, Jörn

2018-03-01

The hypothesis of critical failure relates the presence of an ultimate stability point in the structural constitutive equation of materials to a divergence of characteristic scales in the microscopic dynamics responsible for deformation. Avalanche models involving critical failure have determined common universality classes for stick-slip processes and fracture. However, not all empirical failure processes exhibit the trademarks of criticality. The rheological properties of materials introduce dissipation, usually reproduced in conceptual models as a hardening of the coarse grained elements of the system. Here, we investigate the effects of transient hardening on (i) the activity rate and (ii) the statistical properties of avalanches. We find the explicit representation of transient hardening in the presence of generalized viscoelasticity and solve the corresponding mean-field model of fracture. In the quasistatic limit, the accelerated energy release is invariant with respect to rheology and the avalanche propagation can be reinterpreted in terms of a stochastic counting process. A single universality class can be defined from such analogy, and all statistical properties depend only on the distance to criticality. We also prove that interevent correlations emerge due to the hardening—even in the quasistatic limit—that can be interpreted as "aftershocks" and "foreshocks."

Considering transient population dynamics in the conservation of slow life-history species: An application to the sandhill crane

USGS Publications Warehouse

Gerber, Brian D.; Kendall, William L.

2016-01-01

The importance of transient dynamics of structured populations is increasingly recognized in ecology, yet these implications are not largely considered in conservation practices. We investigate transient and long-term population dynamics to demonstrate the process and utility of incorporating transient dynamics into conservation research and to better understand the population management of slow life-history species; these species can be theoretically highly sensitive to short- and long-term transient effects. We are specifically interested in the effects of anthropogenic removal of individuals from populations, such as caused by harvest, poaching, translocation, or incidental take. We use the sandhill crane (Grus canadensis) as an exemplar species; it is long-lived, has low reproduction, late maturity, and multiple populations are subject to sport harvest. We found sandhill cranes to have extremely high potential, but low likelihood for transient dynamics, even when the population is being harvested. The typically low population growth rate of slow life-history species appears to buffer against many perturbations causing large transient effects. Transient dynamics will dominate population trajectories of these species when stage structures are highly biased towards the younger and non-reproducing individuals, a situation that may be rare in established populations of long-lived animals. However, short-term transient population growth can be highly sensitive to vital rates that are relatively insensitive under equilibrium, suggesting that stage structure should be known if perturbation analysis is used to identify effective conservation strategies. For populations of slow life-history species that are not prone to large perturbations to their most productive individuals, population growth may be approximated by equilibrium dynamics.

Impact Testing and Simulation of Composite Airframe Structures

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Littell, Justin D.; Horta, Lucas G.; Annett, Martin S.; Fasanella, Edwin L.; Seal, Michael D., II

2014-01-01

Dynamic tests were performed at NASA Langley Research Center on composite airframe structural components of increasing complexity to evaluate their energy absorption behavior when subjected to impact loading. A second objective was to assess the capabilities of predicting the dynamic response of composite airframe structures, including damage initiation and progression, using a state-of-the-art nonlinear, explicit transient dynamic finite element code, LS-DYNA. The test specimens were extracted from a previously tested composite prototype fuselage section developed and manufactured by Sikorsky Aircraft Corporation under the US Army's Survivable Affordable Repairable Airframe Program (SARAP). Laminate characterization testing was conducted in tension and compression. In addition, dynamic impact tests were performed on several components, including I-beams, T-sections, and cruciform sections. Finally, tests were conducted on two full-scale components including a subfloor section and a framed fuselage section. These tests included a modal vibration and longitudinal impact test of the subfloor section and a quasi-static, modal vibration, and vertical drop test of the framed fuselage section. Most of the test articles were manufactured of graphite unidirectional tape composite with a thermoplastic resin system. However, the framed fuselage section was constructed primarily of a plain weave graphite fabric material with a thermoset resin system. Test data were collected from instrumentation such as accelerometers and strain gages and from full-field photogrammetry.

Tropical forest landscape dynamics: Population consequences for neotropical lianas, genus Passiflora

NASA Astrophysics Data System (ADS)

Plowes, Robert Merrick

Treefall gaps in rainforest landscapes play a crucial role in providing opportunities for establishment and growth of rare, light-demanding plants such as Passifora vines in Corcovado rainforests, Costa Rica. This study considers the interplay of landscape dynamics with plant life history traits and strategies in an ephemeral patch network. In Chapter One, I show how patch quality dynamics and propagule dispersal affect colonization of treefall gaps by Passifora vitifolia. Recruitment required high patch quality, exceeding 3 hours of sunlight and patches closed after about 6 years. Colonization by seed dispersal (80%) was constrained by patch quality and isolation, while clonal growth from dormant plants (20%) was limited to rare adjacent patches. Since patch turnover is critical in these systems, Chapter Two is focused on factors affecting canopy structure. I showed that prior landuse altered the dynamics of frequent, small-scale disturbances during succession following a single, large deforestation event. Here, I used Landsat subpixel analysis, aerial photographs and field surveys to demonstrate major changes in dynamics of regenerating canopies following release from agricultural activity in 1975. Little work has considered the role of life history traits in persistence of patchy populations, and so in Chapter Three I asked what life history strategies are used by 9 Passiflora species that occur in these transient forest gaps. Although Passiflora species exhibited differences in dormancy or dispersal strategies, abundance was not associated with any one strategy. Elasticities of vital rates (stasis, growth and fecundity) of P. vitifolia differed empirically in old growth and regenerating forests. To explore population responses to changes in landscape parameters or life history strategies, I created a spatially-explicit individual-based model. Simulations indicate that plant types with a dormancy phase have a greater suite of responses since they persist after patch extinction with potential to contribute later through both sexual and asexual dispersal. Plants that rely only on high dispersal were extinction prone in low connectivity landscapes. This novel approach of jointly analyzing spatially-explicit patch parameters and life history traits offers a comprehensive framework for further understanding the effects of patch dynamics on populations.

Engine dynamic analysis with general nonlinear finite element codes. II - Bearing element implementation, overall numerical characteristics and benchmarking

NASA Technical Reports Server (NTRS)

Padovan, J.; Adams, M.; Lam, P.; Fertis, D.; Zeid, I.

1982-01-01

Second-year efforts within a three-year study to develop and extend finite element (FE) methodology to efficiently handle the transient/steady state response of rotor-bearing-stator structure associated with gas turbine engines are outlined. The two main areas aim at (1) implanting the squeeze film damper element into a general purpose FE code for testing and evaluation; and (2) determining the numerical characteristics of the FE-generated rotor-bearing-stator simulation scheme. The governing FE field equations are set out and the solution methodology is presented. The choice of ADINA as the general-purpose FE code is explained, and the numerical operational characteristics of the direct integration approach of FE-generated rotor-bearing-stator simulations is determined, including benchmarking, comparison of explicit vs. implicit methodologies of direct integration, and demonstration problems.

A massively parallel computational approach to coupled thermoelastic/porous gas flow problems

NASA Technical Reports Server (NTRS)

Shia, David; Mcmanus, Hugh L.

1995-01-01

A new computational scheme for coupled thermoelastic/porous gas flow problems is presented. Heat transfer, gas flow, and dynamic thermoelastic governing equations are expressed in fully explicit form, and solved on a massively parallel computer. The transpiration cooling problem is used as an example problem. The numerical solutions have been verified by comparison to available analytical solutions. Transient temperature, pressure, and stress distributions have been obtained. Small spatial oscillations in pressure and stress have been observed, which would be impractical to predict with previously available schemes. Comparisons between serial and massively parallel versions of the scheme have also been made. The results indicate that for small scale problems the serial and parallel versions use practically the same amount of CPU time. However, as the problem size increases the parallel version becomes more efficient than the serial version.

Graph-based sensor fusion for classification of transient acoustic signals.

PubMed

Srinivas, Umamahesh; Nasrabadi, Nasser M; Monga, Vishal

2015-03-01

Advances in acoustic sensing have enabled the simultaneous acquisition of multiple measurements of the same physical event via co-located acoustic sensors. We exploit the inherent correlation among such multiple measurements for acoustic signal classification, to identify the launch/impact of munition (i.e., rockets, mortars). Specifically, we propose a probabilistic graphical model framework that can explicitly learn the class conditional correlations between the cepstral features extracted from these different measurements. Additionally, we employ symbolic dynamic filtering-based features, which offer improvements over the traditional cepstral features in terms of robustness to signal distortions. Experiments on real acoustic data sets show that our proposed algorithm outperforms conventional classifiers as well as the recently proposed joint sparsity models for multisensor acoustic classification. Additionally our proposed algorithm is less sensitive to insufficiency in training samples compared to competing approaches.

Modeling of outgassing and matrix decomposition in carbon-phenolic composites

NASA Technical Reports Server (NTRS)

Mcmanus, Hugh L.

1994-01-01

Work done in the period Jan. - June 1994 is summarized. Two threads of research have been followed. First, the thermodynamics approach was used to model the chemical and mechanical responses of composites exposed to high temperatures. The thermodynamics approach lends itself easily to the usage of variational principles. This thermodynamic-variational approach has been applied to the transpiration cooling problem. The second thread is the development of a better algorithm to solve the governing equations resulting from the modeling. Explicit finite difference method is explored for solving the governing nonlinear, partial differential equations. The method allows detailed material models to be included and solution on massively parallel supercomputers. To demonstrate the feasibility of the explicit scheme in solving nonlinear partial differential equations, a transpiration cooling problem was solved. Some interesting transient behaviors were captured such as stress waves and small spatial oscillations of transient pressure distribution.

Microthrix parvicella abundance associates with activated sludge settling velocity and rheology - Quantifying and modelling filamentous bulking.

PubMed

Wágner, Dorottya S; Ramin, Elham; Szabo, Peter; Dechesne, Arnaud; Plósz, Benedek Gy

2015-07-01

The objective of this work is to identify relevant settling velocity and rheology model parameters and to assess the underlying filamentous microbial community characteristics that can influence the solids mixing and transport in secondary settling tanks. Parameter values for hindered, transient and compression settling velocity functions were estimated by carrying out biweekly batch settling tests using a novel column setup through a four-month long measurement campaign. To estimate viscosity model parameters, rheological experiments were carried out on the same sludge sample using a rotational viscometer. Quantitative fluorescence in-situ hybridisation (qFISH) analysis, targeting Microthrix parvicella and phylum Chloroflexi, was used. This study finds that M. parvicella - predominantly residing inside the microbial flocs in our samples - can significantly influence secondary settling through altering the hindered settling velocity and yield stress parameter. Strikingly, this is not the case for Chloroflexi, occurring in more than double the abundance of M. parvicella, and forming filaments primarily protruding from the flocs. The transient and compression settling parameters show a comparably high variability, and no significant association with filamentous abundance. A two-dimensional, axi-symmetrical computational fluid dynamics (CFD) model was used to assess calibration scenarios to model filamentous bulking. Our results suggest that model predictions can significantly benefit from explicitly accounting for filamentous bulking by calibrating the hindered settling velocity function. Furthermore, accounting for the transient and compression settling velocity in the computational domain is crucial to improve model accuracy when modelling filamentous bulking. However, the case-specific calibration of transient and compression settling parameters as well as yield stress is not necessary, and an average parameter set - obtained under bulking and good settling conditions - can be used. Copyright © 2015 Elsevier Ltd. All rights reserved.

Virtual-pulse time integral methodology: A new explicit approach for computational dynamics - Theoretical developments for general nonlinear structural dynamics

NASA Technical Reports Server (NTRS)

Chen, Xiaoqin; Tamma, Kumar K.; Sha, Desong

1993-01-01

The present paper describes a new explicit virtual-pulse time integral methodology for nonlinear structural dynamics problems. The purpose of the paper is to provide the theoretical basis of the methodology and to demonstrate applicability of the proposed formulations to nonlinear dynamic structures. Different from the existing numerical methods such as direct time integrations or mode superposition techniques, the proposed methodology offers new perspectives and methodology of development, and possesses several unique and attractive computational characteristics. The methodology is tested and compared with the implicit Newmark method (trapezoidal rule) through a nonlinear softening and hardening spring dynamic models. The numerical results indicate that the proposed explicit virtual-pulse time integral methodology is an excellent alternative for solving general nonlinear dynamic problems.

Vertical Drop Testing and Analysis of the Wasp Helicopter Skid Gear

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fuchs, Yvonne T.

2007-01-01

This report describes an experimental program to assess the impact performance of a skid gear for use on the Wasp kit-built helicopter, which is marketed by HeloWerks, Inc. of Hampton, Virginia. In total, five vertical drop tests were performed. The test article consisted of a skid gear mounted beneath a steel plate. A seating platform was attached to the upper surface of the steel plate, and two 95th percentile Hybrid III male Anthropomorphic Test Devices (ATDs) were seated on the platform and secured using a four-point restraint system. The test article also included ballast weights to ensure the correct position of the Center-of-Gravity (CG). Twenty-six channels of acceleration data were collected per test at 50,000 samples per second. The five drop tests were conducted on two different gear configurations. The details of these test programs are presented, as well as an occupant injury assessment. Finally, a finite element model of the skid gear test article was developed for execution in LS-DYNA, an explicit nonlinear transient dynamic code, for predicting the skid gear and occupant dynamic responses due to impact.

Sensitivity analysis of reactive ecological dynamics.

PubMed

Verdy, Ariane; Caswell, Hal

2008-08-01

Ecological systems with asymptotically stable equilibria may exhibit significant transient dynamics following perturbations. In some cases, these transient dynamics include the possibility of excursions away from the equilibrium before the eventual return; systems that exhibit such amplification of perturbations are called reactive. Reactivity is a common property of ecological systems, and the amplification can be large and long-lasting. The transient response of a reactive ecosystem depends on the parameters of the underlying model. To investigate this dependence, we develop sensitivity analyses for indices of transient dynamics (reactivity, the amplification envelope, and the optimal perturbation) in both continuous- and discrete-time models written in matrix form. The sensitivity calculations require expressions, some of them new, for the derivatives of equilibria, eigenvalues, singular values, and singular vectors, obtained using matrix calculus. Sensitivity analysis provides a quantitative framework for investigating the mechanisms leading to transient growth. We apply the methodology to a predator-prey model and a size-structured food web model. The results suggest predator-driven and prey-driven mechanisms for transient amplification resulting from multispecies interactions.

THETRIS: A MICRO-SCALE TEMPERATURE AND GAS RELEASE MODEL FOR TRISO FUEL

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

J. Ortensi; A.M. Ougouag

2011-12-01

The dominating mechanism in the passive safety of gas-cooled, graphite-moderated, high-temperature reactors (HTRs) is the Doppler feedback effect. These reactor designs are fueled with sub-millimeter sized kernels formed into TRISO particles that are imbedded in a graphite matrix. The best spatial and temporal representation of the feedback effect is obtained from an accurate approximation of the fuel temperature. Most accident scenarios in HTRs are characterized by large time constants and slow changes in the fuel and moderator temperature fields. In these situations a meso-scale, pebble and compact scale, solution provides a good approximation of the fuel temperature. Micro-scale models aremore » necessary in order to obtain accurate predictions in faster transients or when parameters internal to the TRISO are needed. Since these coated particles constitute one of the fundamental design barriers for the release of fission products, it becomes important to understand the transient behavior inside this containment system. An explicit TRISO fuel temperature model named THETRIS has been developed and incorporated into the CYNOD-THERMIX-KONVEK suite of coupled codes. The code includes gas release models that provide a simple predictive capability of the internal pressure during transients. The new model yields similar results to those obtained with other micro-scale fuel models, but with the added capability to analyze gas release, internal pressure buildup, and effects of a gap in the TRISO. The analyses show the instances when the micro-scale models improve the predictions of the fuel temperature and Doppler feedback. In addition, a sensitivity study of the potential effects on the transient behavior of high-temperature reactors due to the presence of a gap is included. Although the formation of a gap occurs under special conditions, its consequences on the dynamic behavior of the reactor can cause unexpected responses during fast transients. Nevertheless, the strong Doppler feedback forces the reactor to quickly stabilize.« less

Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction Interfaces.

PubMed

Ghanakota, Phani; van Vlijmen, Herman; Sherman, Woody; Beuming, Thijs

2018-04-23

The ability to target protein-protein interactions (PPIs) with small molecule inhibitors offers great promise in expanding the druggable target space and addressing a broad range of untreated diseases. However, due to their nature and function of interacting with protein partners, PPI interfaces tend to extend over large surfaces without the typical pockets of enzymes and receptors. These features present unique challenges for small molecule inhibitor design. As such, determining whether a particular PPI of interest could be pursued with a small molecule discovery strategy requires an understanding of the characteristics of the PPI interface and whether it has hotspots that can be leveraged by small molecules to achieve desired potency. Here, we assess the ability of mixed-solvent molecular dynamic (MSMD) simulations to detect hotspots at PPI interfaces. MSMD simulations using three cosolvents (acetonitrile, isopropanol, and pyrimidine) were performed on a large test set of 21 PPI targets that have been experimentally validated by small molecule inhibitors. We compare MSMD, which includes explicit solvent and full protein flexibility, to a simpler approach that does not include dynamics or explicit solvent (SiteMap) and find that MSMD simulations reveal additional information about the characteristics of these targets and the ability for small molecules to inhibit the PPI interface. In the few cases were MSMD simulations did not detect hotspots, we explore the shortcomings of this technique and propose future improvements. Finally, using Interleukin-2 as an example, we highlight the advantage of the MSMD approach for detecting transient cryptic druggable pockets that exists at PPI interfaces.

New objects do not capture attention without a sensory transient.

PubMed

Hollingworth, Andrew; Simons, Daniel J; Franconeri, Steven L

2010-07-01

Attention capture occurs when a stimulus event involuntarily recruits attention. The abrupt appearance of a new object is perhaps the most well-studied attention-capturing event, yet there is debate over the root cause of this capture. Does a new object capture attention because it involves the creation of a new object representation or because its appearance creates a characteristic luminance transient? The present study sought to resolve this question by introducing a new object into a search display, either with or without a unique luminance transient. Contrary to the results of a recent study (Davoli, Suszko, & Abrams, 2007), when the new object's transient was masked by a brief interstimulus interval introduced between the placeholder and search arrays, a new object did not capture attention. Moreover, when a new object's transient was masked, participants could not locate a new object efficiently even when that was their explicit goal. Together, these data suggest that luminance transient signals are necessary for attention capture by new objects.

Very long transients, irregular firing, and chaotic dynamics in networks of randomly connected inhibitory integrate-and-fire neurons.

PubMed

Zillmer, Rüdiger; Brunel, Nicolas; Hansel, David

2009-03-01

We present results of an extensive numerical study of the dynamics of networks of integrate-and-fire neurons connected randomly through inhibitory interactions. We first consider delayed interactions with infinitely fast rise and decay. Depending on the parameters, the network displays transients which are short or exponentially long in the network size. At the end of these transients, the dynamics settle on a periodic attractor. If the number of connections per neuron is large ( approximately 1000) , this attractor is a cluster state with a short period. In contrast, if the number of connections per neuron is small ( approximately 100) , the attractor has complex dynamics and very long period. During the long transients the neurons fire in a highly irregular manner. They can be viewed as quasistationary states in which, depending on the coupling strength, the pattern of activity is asynchronous or displays population oscillations. In the first case, the average firing rates and the variability of the single-neuron activity are well described by a mean-field theory valid in the thermodynamic limit. Bifurcations of the long transient dynamics from asynchronous to synchronous activity are also well predicted by this theory. The transient dynamics display features reminiscent of stable chaos. In particular, despite being linearly stable, the trajectories of the transient dynamics are destabilized by finite perturbations as small as O(1/N) . We further show that stable chaos is also observed for postsynaptic currents with finite decay time. However, we report in this type of network that chaotic dynamics characterized by positive Lyapunov exponents can also be observed. We show in fact that chaos occurs when the decay time of the synaptic currents is long compared to the synaptic delay, provided that the network is sufficiently large.

On the Use of Material-Dependent Damping in ANSYS for Mode Superposition Transient Analysis

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

Nie, J.; Wei, X.

The mode superposition method is often used for dynamic analysis of complex structures, such as the seismic Category I structures in nuclear power plants, in place of the less efficient full method, which uses the full system matrices for calculation of the transient responses. In such applications, specification of material-dependent damping is usually desirable because complex structures can consist of multiple types of materials that may have different energy dissipation capabilities. A recent review of the ANSYS manual for several releases found that the use of material-dependent damping is not clearly explained for performing a mode superposition transient dynamic analysis.more » This paper includes several mode superposition transient dynamic analyses using different ways to specify damping in ANSYS, in order to determine how material-dependent damping can be specified conveniently in a mode superposition transient dynamic analysis.« less

Modeling spatial variation in avian survival and residency probabilities

USGS Publications Warehouse

Saracco, James F.; Royle, J. Andrew; DeSante, David F.; Gardner, Beth

2010-01-01

The importance of understanding spatial variation in processes driving animal population dynamics is widely recognized. Yet little attention has been paid to spatial modeling of vital rates. Here we describe a hierarchical spatial autoregressive model to provide spatially explicit year-specific estimates of apparent survival (phi) and residency (pi) probabilities from capture-recapture data. We apply the model to data collected on a declining bird species, Wood Thrush (Hylocichla mustelina), as part of a broad-scale bird-banding network, the Monitoring Avian Productivity and Survivorship (MAPS) program. The Wood Thrush analysis showed variability in both phi and pi among years and across space. Spatial heterogeneity in residency probability was particularly striking, suggesting the importance of understanding the role of transients in local populations. We found broad-scale spatial patterning in Wood Thrush phi and pi that lend insight into population trends and can direct conservation and research. The spatial model developed here represents a significant advance over approaches to investigating spatial pattern in vital rates that aggregate data at coarse spatial scales and do not explicitly incorporate spatial information in the model. Further development and application of hierarchical capture-recapture models offers the opportunity to more fully investigate spatiotemporal variation in the processes that drive population changes.

Transient Cognitive Dynamics, Metastability, and Decision Making

PubMed Central

Rabinovich, Mikhail I.; Huerta, Ramón; Varona, Pablo; Afraimovich, Valentin S.

2008-01-01

The idea that cognitive activity can be understood using nonlinear dynamics has been intensively discussed at length for the last 15 years. One of the popular points of view is that metastable states play a key role in the execution of cognitive functions. Experimental and modeling studies suggest that most of these functions are the result of transient activity of large-scale brain networks in the presence of noise. Such transients may consist of a sequential switching between different metastable cognitive states. The main problem faced when using dynamical theory to describe transient cognitive processes is the fundamental contradiction between reproducibility and flexibility of transient behavior. In this paper, we propose a theoretical description of transient cognitive dynamics based on the interaction of functionally dependent metastable cognitive states. The mathematical image of such transient activity is a stable heteroclinic channel, i.e., a set of trajectories in the vicinity of a heteroclinic skeleton that consists of saddles and unstable separatrices that connect their surroundings. We suggest a basic mathematical model, a strongly dissipative dynamical system, and formulate the conditions for the robustness and reproducibility of cognitive transients that satisfy the competing requirements for stability and flexibility. Based on this approach, we describe here an effective solution for the problem of sequential decision making, represented as a fixed time game: a player takes sequential actions in a changing noisy environment so as to maximize a cumulative reward. As we predict and verify in computer simulations, noise plays an important role in optimizing the gain. PMID:18452000

Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method

DTIC Science & Technology

2011-12-01

REMD while reproducing the energy landscape of explicit solvent simulations . ’ INTRODUCTION Molecular dynamics (MD) simulations of proteins can pro...Mongan, J.; McCammon, J. A. Accelerated molecular dynamics : a promising and efficient simulation method for biomolecules. J. Chem. Phys. 2004, 120 (24...Chemical Theory and Computation ARTICLE (8) Abraham,M. J.; Gready, J. E. Ensuringmixing efficiency of replica- exchange molecular dynamics simulations . J

Detection of non-absorbing charge dynamics via refractive index change in dye-sensitized solar cells.

PubMed

Kuwahara, Shota; Hata, Hiroaki; Taya, Soichiro; Maeda, Naotaka; Shen, Qing; Toyoda, Taro; Katayama, Kenji

2013-04-28

The carrier dynamics in dye-sensitized solar cells was investigated by using the transient grating, in addition to the transient absorption method and transient photocurrent method on the order of microseconds to seconds. The signals for the same sample were obtained under a short-circuit condition to compare the carrier dynamics via refractive index change with the transient photocurrent measurement. Optically silent carrier dynamics by transient absorption have been successfully observed via a refractive index change. The corresponding signal components were originated from the charge dynamics at the solid/liquid interface, especially on the liquid side; rearrangement or diffusion motion of charged redox species occurred when the injected electrons were trapped at the TiO2 surface and when the electron-electrolyte recombination occurred at the interface. The assignments were confirmed from the dependence on the viscosity of the solvent and the presence of 4-tert-butyl pyridine. As the viscosity of the solvent increased, the rearrangement and the motion of the charged redox species were delayed. Since the rearrangement dynamics was changed by the presence of 4-tert-butyl pyridine, it affected not only the TiO2 surface but also the redox species close to the interface.

Explicit symplectic algorithms based on generating functions for relativistic charged particle dynamics in time-dependent electromagnetic field

NASA Astrophysics Data System (ADS)

Zhang, Ruili; Wang, Yulei; He, Yang; Xiao, Jianyuan; Liu, Jian; Qin, Hong; Tang, Yifa

2018-02-01

Relativistic dynamics of a charged particle in time-dependent electromagnetic fields has theoretical significance and a wide range of applications. The numerical simulation of relativistic dynamics is often multi-scale and requires accurate long-term numerical simulations. Therefore, explicit symplectic algorithms are much more preferable than non-symplectic methods and implicit symplectic algorithms. In this paper, we employ the proper time and express the Hamiltonian as the sum of exactly solvable terms and product-separable terms in space-time coordinates. Then, we give the explicit symplectic algorithms based on the generating functions of orders 2 and 3 for relativistic dynamics of a charged particle. The methodology is not new, which has been applied to non-relativistic dynamics of charged particles, but the algorithm for relativistic dynamics has much significance in practical simulations, such as the secular simulation of runaway electrons in tokamaks.

Full-Scale Crash Test and Finite Element Simulation of a Composite Prototype Helicopter

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Boitnott, Richard L.; Lyle, Karen H.

2003-01-01

A full-scale crash test of a prototype composite helicopter was performed at the Impact Dynamics Research Facility at NASA Langley Research Center in 1999 to obtain data for validation of a finite element crash simulation. The helicopter was the flight test article built by Sikorsky Aircraft during the Advanced Composite Airframe Program (ACAP). The composite helicopter was designed to meet the stringent Military Standard (MIL-STD-1290A) crashworthiness criteria and was outfitted with two crew and two troop seats and four anthropomorphic dummies. The test was performed at 38-ft/s vertical and 32.5-ft/s horizontal velocity onto a rigid surface. An existing modal-vibration model of the Sikorsky ACAP helicopter was converted into a model suitable for crash simulation. A two-stage modeling approach was implemented and an external user-defined subroutine was developed to represent the complex landing gear response. The crash simulation was executed with a nonlinear, explicit transient dynamic finite element code. Predictions of structural deformation and failure, the sequence of events, and the dynamic response of the airframe structure were generated and the numerical results were correlated with the experimental data to validate the simulation. The test results, the model development, and the test-analysis correlation are described.

A simple, stable, and accurate linear tetrahedral finite element for transient, nearly, and fully incompressible solid dynamics: A dynamic variational multiscale approach [A simple, stable, and accurate tetrahedral finite element for transient, nearly incompressible, linear and nonlinear elasticity: A dynamic variational multiscale approach

DOE PAGES

Scovazzi, Guglielmo; Carnes, Brian; Zeng, Xianyi; ...

2015-11-12

Here, we propose a new approach for the stabilization of linear tetrahedral finite elements in the case of nearly incompressible transient solid dynamics computations. Our method is based on a mixed formulation, in which the momentum equation is complemented by a rate equation for the evolution of the pressure field, approximated with piece-wise linear, continuous finite element functions. The pressure equation is stabilized to prevent spurious pressure oscillations in computations. Incidentally, it is also shown that many stabilized methods previously developed for the static case do not generalize easily to transient dynamics. Extensive tests in the context of linear andmore » nonlinear elasticity are used to corroborate the claim that the proposed method is robust, stable, and accurate.« less

A simple, stable, and accurate linear tetrahedral finite element for transient, nearly, and fully incompressible solid dynamics: A dynamic variational multiscale approach [A simple, stable, and accurate tetrahedral finite element for transient, nearly incompressible, linear and nonlinear elasticity: A dynamic variational multiscale approach

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

Scovazzi, Guglielmo; Carnes, Brian; Zeng, Xianyi

Here, we propose a new approach for the stabilization of linear tetrahedral finite elements in the case of nearly incompressible transient solid dynamics computations. Our method is based on a mixed formulation, in which the momentum equation is complemented by a rate equation for the evolution of the pressure field, approximated with piece-wise linear, continuous finite element functions. The pressure equation is stabilized to prevent spurious pressure oscillations in computations. Incidentally, it is also shown that many stabilized methods previously developed for the static case do not generalize easily to transient dynamics. Extensive tests in the context of linear andmore » nonlinear elasticity are used to corroborate the claim that the proposed method is robust, stable, and accurate.« less

Aeroelastic Modeling of a Nozzle Startup Transient

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Zhao, Xiang; Zhang, Sijun; Chen, Yen-Sen

2014-01-01

Lateral nozzle forces are known to cause severe structural damage to any new rocket engine in development during test. While three-dimensional, transient, turbulent, chemically reacting computational fluid dynamics methodology has been demonstrated to capture major side load physics with rigid nozzles, hot-fire tests often show nozzle structure deformation during major side load events, leading to structural damages if structural strengthening measures were not taken. The modeling picture is incomplete without the capability to address the two-way responses between the structure and fluid. The objective of this study is to develop a tightly coupled aeroelastic modeling algorithm by implementing the necessary structural dynamics component into an anchored computational fluid dynamics methodology. The computational fluid dynamics component is based on an unstructured-grid, pressure-based computational fluid dynamics formulation, while the computational structural dynamics component is developed under the framework of modal analysis. Transient aeroelastic nozzle startup analyses at sea level were performed, and the computed transient nozzle fluid-structure interaction physics presented,

A methodology for the efficient integration of transient constraints in the design of aircraft dynamic systems

NASA Astrophysics Data System (ADS)

Phan, Leon L.

The motivation behind this thesis mainly stems from previous work performed at Hispano-Suiza (Safran Group) in the context of the European research project "Power Optimised Aircraft". Extensive testing on the COPPER Bird RTM, a test rig designed to characterize aircraft electrical networks, demonstrated the relevance of transient regimes in the design and development of dynamic systems. Transient regimes experienced by dynamic systems may have severe impacts on the operation of the aircraft. For example, the switching on of a high electrical load might cause a network voltage drop inducing a loss of power available to critical aircraft systems. These transient behaviors are thus often regulated by dynamic constraints, requiring the dynamic signals to remain within bounds whose values vary with time. The verification of these peculiar types of constraints, which generally requires high-fidelity time-domain simulation, intervenes late in the system development process, thus potentially causing costly design iterations. The research objective of this thesis is to develop a methodology that integrates the verification of dynamic constraints in the early specification of dynamic systems. In order to circumvent the inefficiencies of time-domain simulation, multivariate dynamic surrogate models of the original time-domain simulation models are generated, building on a nonlinear system identification technique using wavelet neural networks (or wavenets), which allow the multiscale nature of transient signals to be captured. However, training multivariate wavenets can become computationally prohibitive as the number of design variables increases. Therefore, an alternate approach is formulated, in which dynamic surrogate models using sigmoid-based neural networks are used to emulate the transient behavior of the envelopes of the time-domain response. Thus, in order to train the neural network, the envelopes are extracted by first separating the scales of the dynamic response, using a multiresolution analysis (MRA) based on the discrete wavelet transform. The MRA separates the dynamic response into a trend and a noise signal (ripple). The envelope of the noise is then computed with a windowing method, and recombined with the trend in order to reconstruct the global envelope of the dynamic response. The run-time efficiency of the resulting dynamic surrogate models enable the implementation of a data farming approach, in which a Monte-Carlo simulation generates time-domain behaviors of transient responses for a vast set of design and operation scenarios spanning the design and operation space. An interactive visualization environment, enabling what-if analyses, will be developed; the user can thereby instantaneously comprehend the transient response of the system (or its envelope) and its sensitivities to design and operation variables, as well as filter the design space to have it exhibit only the design scenarios verifying the dynamic constraints. The proposed methodology, along with its foundational hypotheses, are tested on the design and optimization of a 350VDC network, where a generator and its control system are concurrently designed in order to minimize the electrical losses, while ensuring that the transient undervoltage induced by peak demands in the consumption of a motor does not violate transient power quality constraints.

Fixation, transient landscape, and diffusion dilemma in stochastic evolutionary game dynamics

NASA Astrophysics Data System (ADS)

Zhou, Da; Qian, Hong

2011-09-01

Agent-based stochastic models for finite populations have recently received much attention in the game theory of evolutionary dynamics. Both the ultimate fixation and the pre-fixation transient behavior are important to a full understanding of the dynamics. In this paper, we study the transient dynamics of the well-mixed Moran process through constructing a landscape function. It is shown that the landscape playing a central theoretical “device” that integrates several lines of inquiries: the stable behavior of the replicator dynamics, the long-time fixation, and continuous diffusion approximation associated with asymptotically large population. Several issues relating to the transient dynamics are discussed: (i) multiple time scales phenomenon associated with intra- and inter-attractoral dynamics; (ii) discontinuous transition in stochastically stationary process akin to Maxwell construction in equilibrium statistical physics; and (iii) the dilemma diffusion approximation facing as a continuous approximation of the discrete evolutionary dynamics. It is found that rare events with exponentially small probabilities, corresponding to the uphill movements and barrier crossing in the landscape with multiple wells that are made possible by strong nonlinear dynamics, plays an important role in understanding the origin of the complexity in evolutionary, nonlinear biological systems.

On the transient dynamics of piezoelectric-based, state-switched systems

NASA Astrophysics Data System (ADS)

Lopp, Garrett K.; Kelley, Christopher R.; Kauffman, Jeffrey L.

2018-01-01

This letter reports on the induced mechanical transients for piezoelectric-based, state-switching approaches utilizing both experimental tests and a numerical model that more accurately captures the dynamics associated with a switch between stiffness states. Currently, switching models instantaneously dissipate the stored piezoelectric voltage, resulting in a discrete change in effective stiffness states and a discontinuity in the system dynamics during the switching event. The proposed model allows for a rapid but continuous voltage dissipation and the corresponding variation between stiffness states, as one sees in physical implementations. This rapid variation in system stiffness when switching at a point of non-zero strain leads to high-frequency, large-amplitude transients in the system acceleration response. Utilizing a fundamental piezoelectric bimorph, a comparison between the numerical and experimental results reveals that these mechanical transients are much stronger than originally anticipated and masked by measurement hardware limitations, thus highlighting the significance of an appropriate system model governing the switch dynamics. Such a model enables designers to analyze systems that incorporate piezoelectric-based state switching with greater accuracy to ensure that these transients do not degrade the intended performance. Finally, if the switching does create unacceptable transients, controlling the duration of voltage dissipation enables control over the frequency content and peak amplitudes associated with the switch-induced acceleration transients.

Dynamic Assessment of Writing: The Impact of Implicit/Explicit Mediations on L2 Learners' Internalization of Writing Skills and Strategies

ERIC Educational Resources Information Center

Alavi, Sayyed Mohammad; Taghizadeh, Mahboubeh

2014-01-01

Dynamic assessment is a procedure in which development is simultaneously assessed and improved with regard to the individual's or group's Zone of Proximal Development (ZPD; Lantolf & Poehner, 2004). This study aimed to follow dynamic assessment and investigate the impact of three types of implicit and explicit feedback on the essay writing of…

Advanced development of BEM for elastic and inelastic dynamic analysis of solids

NASA Technical Reports Server (NTRS)

Banerjee, P. K.; Ahmad, S.; Wang, H. C.

1989-01-01

Direct Boundary Element formulations and their numerical implementation for periodic and transient elastic as well as inelastic transient dynamic analyses of two-dimensional, axisymmetric and three-dimensional solids are presented. The inelastic formulation is based on an initial stress approach and is the first of its kind in the field of Boundary Element Methods. This formulation employs the Navier-Cauchy equation of motion, Graffi's dynamic reciprocal theorem, Stokes' fundamental solution, and the divergence theorem, together with kinematical and constitutive equations to obtain the pertinent integral equations of the problem in the time domain within the context of the small displacement theory of elastoplasticity. The dynamic (periodic, transient as well as nonlinear transient) formulations have been applied to a range of problems. The numerical formulations presented here are included in the BEST3D and GPBEST systems.

On a method computing transient wave propagation in ionospheric regions

NASA Technical Reports Server (NTRS)

Gray, K. G.; Bowhill, S. A.

1978-01-01

A consequence of an exoatmospheric nuclear burst is an electromagnetic pulse (EMP) radiated from it. In a region far enough away from the burst, where nonlinear effects can be ignored, the EMP can be represented by a large-amplitude narrow-time-width plane-wave pulse. If the ionosphere intervenes the origin and destination of the EMP, frequency dispersion can cause significant changes in the original pulse upon reception. A method of computing these dispersive effects of transient wave propagation is summarized. The method described is different from the standard transform techniques and provides physical insight into the transient wave process. The method, although exact, can be used in approximating the early-time transient response of an ionospheric region by a simple integration with only explicit knowledge of the electron density, electron collision frequency, and electron gyrofrequency required. As an illustration of the method, it is applied to a simple example and contrasted with the corresponding transform solution.

Nonlinear dynamic analysis of traveling wave-type ultrasonic motors.

PubMed

Nakagawa, Yosuke; Saito, Akira; Maeno, Takashi

2008-03-01

In this paper, nonlinear dynamic response of a traveling wave-type ultrasonic motor was investigated. In particular, understanding the transient dynamics of a bar-type ultrasonic motor, such as starting up and stopping, is of primary interest. First, the transient response of the bar-type ultrasonic motor at starting up and stopping was measured using a laser Doppler velocimeter, and its driving characteristics are discussed in detail. The motor is shown to possess amplitude-dependent nonlinearity that greatly influences the transient dynamics of the motor. Second, a dynamical model of the motor was constructed as a second-order nonlinear oscillator, which represents the dynamics of the piezoelectric ceramic, stator, and rotor. The model features nonlinearities caused by the frictional interface between the stator and the rotor, and cubic nonlinearity in the dynamics of the stator. Coulomb's friction model was employed for the interface model, and a stick-slip phenomenon is considered. Lastly, it was shown that the model is capable of representing the transient dynamics of the motor accurately. The critical parameters in the model were identified from measured results, and numerical simulations were conducted using the model with the identified parameters. Good agreement between the results of measurements and numerical simulations is observed.

Explicit filtering in large eddy simulation using a discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Brazell, Matthew J.

The discontinuous Galerkin (DG) method is a formulation of the finite element method (FEM). DG provides the ability for a high order of accuracy in complex geometries, and allows for highly efficient parallelization algorithms. These attributes make the DG method attractive for solving the Navier-Stokes equations for large eddy simulation (LES). The main goal of this work is to investigate the feasibility of adopting an explicit filter in the numerical solution of the Navier-Stokes equations with DG. Explicit filtering has been shown to increase the numerical stability of under-resolved simulations and is needed for LES with dynamic sub-grid scale (SGS) models. The explicit filter takes advantage of DG's framework where the solution is approximated using a polyno- mial basis where the higher modes of the solution correspond to a higher order polynomial basis. By removing high order modes, the filtered solution contains low order frequency content much like an explicit low pass filter. The explicit filter implementation is tested on a simple 1-D solver with an initial condi- tion that has some similarity to turbulent flows. The explicit filter does restrict the resolution as well as remove accumulated energy in the higher modes from aliasing. However, the ex- plicit filter is unable to remove numerical errors causing numerical dissipation. A second test case solves the 3-D Navier-Stokes equations of the Taylor-Green vortex flow (TGV). The TGV is useful for SGS model testing because it is initially laminar and transitions into a fully turbulent flow. The SGS models investigated include the constant coefficient Smagorinsky model, dynamic Smagorinsky model, and dynamic Heinz model. The constant coefficient Smagorinsky model is over dissipative, this is generally not desirable however it does add stability. The dynamic Smagorinsky model generally performs better, especially during the laminar-turbulent transition region as expected. The dynamic Heinz model which is based on an improved model, handles the laminar-turbulent transition region well while also showing additional robustness.

A MULTIPLE GRID ALGORITHM FOR ONE-DIMENSIONAL TRANSIENT OPEN CHANNEL FLOWS. (R825200)

EPA Science Inventory

Numerical modeling of open channel flows with shocks using explicit finite difference schemes is constrained by the choice of time step, which is limited by the CFL stability criteria. To overcome this limitation, in this work we introduce the application of a multiple grid al...

Dynamics Impact Tolerance of Shuttle RCC Leading Edge Panels Using LS-DYNA

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.; Lyle, Karen H.; Jones, Lisa E.; Hardy, Robin C.; Spellman, Regina L.; Carney, Kelly S.; Melis, Matthew E.; Stockwell, Alan E.

2005-01-01

This paper describes a research program conducted to enable accurate prediction of the impact tolerance of the shuttle Orbiter leading-edge wing panels using physics-based codes such as LS-DYNA, a nonlinear, explicit transient dynamic finite element code. The shuttle leading-edge panels are constructed of Reinforced-Carbon-Carbon (RCC) composite material, which is used because of its thermal properties to protect the shuttle during reentry into the Earth's atmosphere. Accurate predictions of impact damage from insulating foam and other debris strikes that occur during launch required materials characterization of expected debris, including strain-rate effects. First, analytical models of individual foam and RCC materials were validated. Next, analytical models of foam cylinders impacting 6- in. x 6-in. RCC flat plates were developed and validated. LS-DYNA pre-test models of the RCC flat plate specimens established the impact velocity of the test for three damage levels: no-detectable damage, non-destructive evaluation (NDE) detectable damage, or visible damage such as a through crack or hole. Finally, the threshold of impact damage for RCC on representative Orbiter wing panels was predicted for both a small through crack and for NDE-detectable damage.

Dynamic Impact Tolerance of Shuttle RCC Leading Edge Panels using LS-DYNA

NASA Technical Reports Server (NTRS)

Fasanella, Edwin; Jackson, Karen E.; Lyle, Karen H.; Jones, Lisa E.; Hardy, Robin C.; Spellman, Regina L.; Carney, Kelly S.; Melis, Matthew E.; Stockwell, Alan E.

2008-01-01

This paper describes a research program conducted to enable accurate prediction of the impact tolerance of the shuttle Orbiter leading-edge wing panels using 'physics-based- codes such as LS-DYNA, a nonlinear, explicit transient dynamic finite element code. The shuttle leading-edge panels are constructed of Reinforced-Carbon-Carbon (RCC) composite material, which issued because of its thermal properties to protect the shuttle during re-entry into the Earth's atmosphere. Accurate predictions of impact damage from insulating foam and other debris strikes that occur during launch required materials characterization of expected debris, including strain-rate effects. First, analytical models of individual foam and RCC materials were validated. Next, analytical models of individual foam cylinders impacting 6-in. x 6-in. RCC flat plates were developed and validated. LS-DYNA pre-test models of the RCC flat plate specimens established the impact velocity of the test for three damage levels: no-detectable damage, non-destructive evaluation (NDE) detectable damage, or visible damage such as a through crack or hole. Finally, the threshold of impact damage for RCC on representative Orbiter wing panels was predicted for both a small through crack and for NDE-detectable damage.

Effects of self-coupling and asymmetric output on metastable dynamical transient firing patterns in arrays of neurons with bidirectional inhibitory coupling.

PubMed

Horikawa, Yo

2016-04-01

Metastable dynamical transient patterns in arrays of bidirectionally coupled neurons with self-coupling and asymmetric output were studied. First, an array of asymmetric sigmoidal neurons with symmetric inhibitory bidirectional coupling and self-coupling was considered and the bifurcations of its steady solutions were shown. Metastable dynamical transient spatially nonuniform states existed in the presence of a pair of spatially symmetric stable solutions as well as unstable spatially nonuniform solutions in a restricted range of the output gain of a neuron. The duration of the transients increased exponentially with the number of neurons up to the maximum number at which the spatially nonuniform steady solutions were stabilized. The range of the output gain for which they existed reduced as asymmetry in a sigmoidal output function of a neuron increased, while the existence range expanded as the strength of inhibitory self-coupling increased. Next, arrays of spiking neuron models with slow synaptic inhibitory bidirectional coupling and self-coupling were considered with computer simulation. In an array of Class 1 Hindmarsh-Rose type models, in which each neuron showed a graded firing rate, metastable dynamical transient firing patterns were observed in the presence of inhibitory self-coupling. This agreed with the condition for the existence of metastable dynamical transients in an array of sigmoidal neurons. In an array of Class 2 Bonhoeffer-van der Pol models, in which each neuron had a clear threshold between firing and resting, long-lasting transient firing patterns with bursting and irregular motion were observed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ultrafast carrier dynamics of titanic acid nanotubes investigated by transient absorption spectroscopy.

PubMed

Wang, Li; Zhao, Hui; Pan, Lin Yun; Weng, Yu Xiang; Nakato, Yoshihiro; Tamai, Naoto

2010-12-01

Carrier dynamics of titanic acid nanotubes (phase of H2Ti2O5.H2O) deposited on a quartz plate was examined by visible/near-IR transient absorption spectroscopy with an ultraviolet excitation. The carrier dynamics of titanic acid nanotubes follows the fast trapping process which attributed to the intrinsic tubular structure, the relaxation of shallow trapped carriers and the recombination as a second-order kinetic process. Transient absorption of titanic acid nanotubes was dominated by the absorption of surface-trapped holes in visible region around 500 nm, which was proved by the faster decay dynamics in the presence of polyvinyl alcohol as a hole-scavenger. However, the slow relaxation of free carriers was much more pronounced in the TiO2 single crystals, as compared with the transient absorption spectra of titanic acid nanotubes under the similar excitation.

Dynamic analysis of solid propellant grains subjected to ignition pressurization loading

NASA Astrophysics Data System (ADS)

Chyuan, Shiang-Woei

2003-11-01

Traditionally, the transient analysis of solid propellant grains subjected to ignition pressurization loading was not considered, and quasi-elastic-static analysis was widely adopted for structural integrity because the analytical task gets simplified. But it does not mean that the dynamic effect is not useful and could be neglected arbitrarily, and this effect usually plays a very important role for some critical design. In order to simulate the dynamic response for solid rocket motor, a transient finite element model, accompanied by concepts of time-temperature shift principle, reduced integration and thermorheologically simple material assumption, was used. For studying the dynamic response, diverse ignition pressurization loading cases were used and investigated in the present paper. Results show that the dynamic effect is important for structural integrity of solid propellant grains under ignition pressurization loading. Comparing the effective stress of transient analysis and of quasi-elastic-static analysis, one can see that there is an obvious difference between them because of the dynamic effect. From the work of quasi-elastic-static and transient analyses, the dynamic analysis highlighted several areas of interest and a more accurate and reasonable result could be obtained for the engineer.

Features of Chaotic Transients in Excitable Media Governed by Spiral and Scroll Waves

NASA Astrophysics Data System (ADS)

Lilienkamp, Thomas; Christoph, Jan; Parlitz, Ulrich

2017-08-01

In excitable media, chaotic dynamics governed by spiral or scroll waves is often not persistent but transient. Using extensive simulations employing different mathematical models we identify a specific type-II supertransient by an exponential increase of transient lifetimes with the system size in 2D and an investigation of the dynamics (number and lifetime of spiral waves, Kaplan-Yorke dimension). In 3D, simulations exhibit an increase of transient lifetimes and filament lengths only above a critical thickness. Finally, potential implications for understanding cardiac arrhythmias are discussed.

Understanding Epileptiform After-Discharges as Rhythmic Oscillatory Transients.

PubMed

Baier, Gerold; Taylor, Peter N; Wang, Yujiang

2017-01-01

Electro-cortical activity in patients with epilepsy may show abnormal rhythmic transients in response to stimulation. Even when using the same stimulation parameters in the same patient, wide variability in the duration of transient response has been reported. These transients have long been considered important for the mapping of the excitability levels in the epileptic brain but their dynamic mechanism is still not well understood. To investigate the occurrence of abnormal transients dynamically, we use a thalamo-cortical neural population model of epileptic spike-wave activity and study the interaction between slow and fast subsystems. In a reduced version of the thalamo-cortical model, slow wave oscillations arise from a fold of cycles (FoC) bifurcation. This marks the onset of a region of bistability between a high amplitude oscillatory rhythm and the background state. In vicinity of the bistability in parameter space, the model has excitable dynamics, showing prolonged rhythmic transients in response to suprathreshold pulse stimulation. We analyse the state space geometry of the bistable and excitable states, and find that the rhythmic transient arises when the impending FoC bifurcation deforms the state space and creates an area of locally reduced attraction to the fixed point. This area essentially allows trajectories to dwell there before escaping to the stable steady state, thus creating rhythmic transients. In the full thalamo-cortical model, we find a similar FoC bifurcation structure. Based on the analysis, we propose an explanation of why stimulation induced epileptiform activity may vary between trials, and predict how the variability could be related to ongoing oscillatory background activity. We compare our dynamic mechanism with other mechanisms (such as a slow parameter change) to generate excitable transients, and we discuss the proposed excitability mechanism in the context of stimulation responses in the epileptic cortex.

Look-ahead Dynamic Simulation

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

2015-10-20

Look-ahead dynamic simulation software system incorporates the high performance parallel computing technologies, significantly reduces the solution time for each transient simulation case, and brings the dynamic simulation analysis into on-line applications to enable more transparency for better reliability and asset utilization. It takes the snapshot of the current power grid status, functions in parallel computing the system dynamic simulation, and outputs the transient response of the power system in real time.

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

Stubos, A.K.; Caseiras, C.P.; Buchlin, J.M.

The transient two-phase flow and phase change heat transfer processes in porous media are investigated. Based on an enthalpic approach, a one-domain formulation of the problem is developed, avoiding explicit internal boundary tracking between single- and two-phase regions. An efficient numerical scheme is applied to obtain the solution on a fixed two-dimensional grid. The transient response of a liquid-saturated, self-heated porous bed is examined in detail. A physical interpretation of a liquid-saturated, self-heated porous bed is examined in detail. A physical interpretation of the computed response to fast power transients is attempted. Comparisons with experimental data are made regarding themore » average void fraction and the limiting dryout heat flux. The numerical approach is extended, keeping the one-domain formulation, to include the surrounding wall structure in the calculation.« less

Characterizing SI Engine Transient Fuel Consumption in ...

EPA Pesticide Factsheets

Examine typical transient engine operation encountered over the EPA's vehicle and engine testing drive cycles to characterize that transient fuel usage, and then describe the changes made to ALPHA to better model transient engine operation. To present an approach to capture dynamic fuel consumption during engine transients and then implement these identified characteristics in ALPHA.

Real-Time Kinetic Modeling of Voltage-Gated Ion Channels Using Dynamic Clamp

PubMed Central

Milescu, Lorin S.; Yamanishi, Tadashi; Ptak, Krzysztof; Mogri, Murtaza Z.; Smith, Jeffrey C.

2008-01-01

We propose what to our knowledge is a new technique for modeling the kinetics of voltage-gated ion channels in a functional context, in neurons or other excitable cells. The principle is to pharmacologically block the studied channel type, and to functionally replace it with dynamic clamp, on the basis of a computational model. Then, the parameters of the model are modified in real time (manually or automatically), with the objective of matching the dynamical behavior of the cell (e.g., action potential shape and spiking frequency), but also the transient and steady-state properties of the model (e.g., those derived from voltage-clamp recordings). Through this approach, one may find a model and parameter values that explain both the observed cellular dynamics and the biophysical properties of the channel. We extensively tested the method, focusing on Nav models. Complex Markov models (10–12 states or more) could be accurately integrated in real time at >50 kHz using the transition probability matrix, but not the explicit Euler method. The practicality of the technique was tested with experiments in raphe pacemaker neurons. Through automated real-time fitting, a Hodgkin-Huxley model could be found that reproduced well the action potential shape and the spiking frequency. Adding a virtual axonal compartment with a high density of Nav channels further improved the action potential shape. The computational procedure was implemented in the free QuB software, running under Microsoft Windows and featuring a friendly graphical user interface. PMID:18375511

Equation-free mechanistic ecosystem forecasting using empirical dynamic modeling

PubMed Central

Ye, Hao; Beamish, Richard J.; Glaser, Sarah M.; Grant, Sue C. H.; Hsieh, Chih-hao; Richards, Laura J.; Schnute, Jon T.; Sugihara, George

2015-01-01

It is well known that current equilibrium-based models fall short as predictive descriptions of natural ecosystems, and particularly of fisheries systems that exhibit nonlinear dynamics. For example, model parameters assumed to be fixed constants may actually vary in time, models may fit well to existing data but lack out-of-sample predictive skill, and key driving variables may be misidentified due to transient (mirage) correlations that are common in nonlinear systems. With these frailties, it is somewhat surprising that static equilibrium models continue to be widely used. Here, we examine empirical dynamic modeling (EDM) as an alternative to imposed model equations and that accommodates both nonequilibrium dynamics and nonlinearity. Using time series from nine stocks of sockeye salmon (Oncorhynchus nerka) from the Fraser River system in British Columbia, Canada, we perform, for the the first time to our knowledge, real-data comparison of contemporary fisheries models with equivalent EDM formulations that explicitly use spawning stock and environmental variables to forecast recruitment. We find that EDM models produce more accurate and precise forecasts, and unlike extensions of the classic Ricker spawner–recruit equation, they show significant improvements when environmental factors are included. Our analysis demonstrates the strategic utility of EDM for incorporating environmental influences into fisheries forecasts and, more generally, for providing insight into how environmental factors can operate in forecast models, thus paving the way for equation-free mechanistic forecasting to be applied in management contexts. PMID:25733874

A new transiently chaotic flow with ellipsoid equilibria

NASA Astrophysics Data System (ADS)

Panahi, Shirin; Aram, Zainab; Jafari, Sajad; Pham, Viet-Thanh; Volos, Christos; Rajagopal, Karthikeyan

2018-03-01

In this article, a simple autonomous transiently chaotic flow with cubic nonlinearities is proposed. This system represents some unusual features such as having a surface of equilibria. We shall describe some dynamical properties and behaviours of this system in terms of eigenvalue structures, bifurcation diagrams, time series, and phase portraits. Various behaviours of this system such as periodic and transiently chaotic dynamics can be shown by setting special parameters in proper values. Our system belongs to a newly introduced category of transiently chaotic systems: systems with hidden attractors. Transiently chaotic behaviour of our proposed system has been implemented and tested by the OrCAD-PSpise software. We have found a proper qualitative similarity between circuit and simulation results.

Neurophysiological bases of exponential sensory decay and top-down memory retrieval: a model.

PubMed

Zylberberg, Ariel; Dehaene, Stanislas; Mindlin, Gabriel B; Sigman, Mariano

2009-01-01

Behavioral observations suggest that multiple sensory elements can be maintained for a short time, forming a perceptual buffer which fades after a few hundred milliseconds. Only a subset of this perceptual buffer can be accessed under top-down control and broadcasted to working memory and consciousness. In turn, single-cell studies in awake-behaving monkeys have identified two distinct waves of response to a sensory stimulus: a first transient response largely determined by stimulus properties and a second wave dependent on behavioral relevance, context and learning. Here we propose a simple biophysical scheme which bridges these observations and establishes concrete predictions for neurophsyiological experiments in which the temporal interval between stimulus presentation and top-down allocation is controlled experimentally. Inspired in single-cell observations, the model involves a first transient response and a second stage of amplification and retrieval, which are implemented biophysically by distinct operational modes of the same circuit, regulated by external currents. We explicitly investigated the neuronal dynamics, the memory trace of a presented stimulus and the probability of correct retrieval, when these two stages were bracketed by a temporal gap. The model predicts correctly the dependence of performance with response times in interference experiments suggesting that sensory buffering does not require a specific dedicated mechanism and establishing a direct link between biophysical manipulations and behavioral observations leading to concrete predictions.

Transient global amnesia: implicit/explicit memory dissociation and PET assessment of brain perfusion and oxygen metabolism in the acute stage.

PubMed

Eustache, F; Desgranges, B; Petit-Taboué, M C; de la Sayette, V; Piot, V; Sablé, C; Marchal, G; Baron, J C

1997-09-01

To assess explicit memory and two components of implicit memory--that is, perceptual-verbal skill learning and lexical-semantic priming effects--as well as resting cerebral blood flow (CBF) and oxygen metabolism (CMRO2) during the acute phase of transient global amnesia. In a 59 year old woman, whose amnestic episode fulfilled all current criteria for transient global amnesia, a neuropsychological protocol was administered, including word learning, story recall, categorical fluency, mirror reading, and word stem completion tasks. PET was performed using the (15)O steady state inhalation method, while the patient still exhibited severe anterograde amnesia and was interleaved with the cognitive tests. There was a clear cut dissociation between impaired long term episodic memory and preserved implicit memory for its two components. Categorical fluency was significantly altered, suggesting word retrieval strategy--rather than semantic memory--impairment. The PET study disclosed a reduced CMRO2 with relatively or fully preserved CBF in the left prefrontotemporal cortex and lentiform nucleus, and the reverse pattern over the left occipital cortex. The PET alterations with patchy CBF-CMRO2 uncoupling would be compatible with a migraine-like phenomenon and indicate that the isolated assessment of perfusion in transient global amnesia may be misleading. The pattern of metabolic depression, with sparing of the hippocampal area, is one among the distinct patterns of brain dysfunction that underlie the (apparently) uniform clinical presentation of transient global amnesia. The finding of a left prefrontal hypometabolism in the face of impaired episodic memory and altered verbal fluency would fit present day concepts from PET activation studies about the role of this area in episodic and semantic memory encoding/retrieval. Likewise, the changes affecting the lenticular nucleus but sparing the caudate would be consistent with the normal performance in perceptual-verbal skill learning. Finally, unaltered lexical-semantic priming effects, despite left temporal cortex hypometabolism, suggest that these processes are subserved by a more distributed neocortical network.

Nonlinear Dynamics and Quantum Transport in Small Systems

DTIC Science & Technology

2012-02-22

2.3 Nonlinear wave and chaos in optical metamaterials 2.3.1 Transient chaos in optical metamaterials We investigated the dynamics of light rays in two...equations can be modeled by a set of ordinary differential equations for light rays . We found that transient chaotic dynamics, hyperbolic or nonhyperbolic...are common in optical metamaterial systems. Due to the analogy between light- ray dynamics in metamaterials and the motion of light and matter as

Algorithms and software for nonlinear structural dynamics

NASA Technical Reports Server (NTRS)

Belytschko, Ted; Gilbertsen, Noreen D.; Neal, Mark O.

1989-01-01

The objective of this research is to develop efficient methods for explicit time integration in nonlinear structural dynamics for computers which utilize both concurrency and vectorization. As a framework for these studies, the program WHAMS, which is described in Explicit Algorithms for the Nonlinear Dynamics of Shells (T. Belytschko, J. I. Lin, and C.-S. Tsay, Computer Methods in Applied Mechanics and Engineering, Vol. 42, 1984, pp 225 to 251), is used. There are two factors which make the development of efficient concurrent explicit time integration programs a challenge in a structural dynamics program: (1) the need for a variety of element types, which complicates the scheduling-allocation problem; and (2) the need for different time steps in different parts of the mesh, which is here called mixed delta t integration, so that a few stiff elements do not reduce the time steps throughout the mesh.

Dynamic Bayesian wavelet transform: New methodology for extraction of repetitive transients

NASA Astrophysics Data System (ADS)

Wang, Dong; Tsui, Kwok-Leung

2017-05-01

Thanks to some recent research works, dynamic Bayesian wavelet transform as new methodology for extraction of repetitive transients is proposed in this short communication to reveal fault signatures hidden in rotating machine. The main idea of the dynamic Bayesian wavelet transform is to iteratively estimate posterior parameters of wavelet transform via artificial observations and dynamic Bayesian inference. First, a prior wavelet parameter distribution can be established by one of many fast detection algorithms, such as the fast kurtogram, the improved kurtogram, the enhanced kurtogram, the sparsogram, the infogram, continuous wavelet transform, discrete wavelet transform, wavelet packets, multiwavelets, empirical wavelet transform, empirical mode decomposition, local mean decomposition, etc.. Second, artificial observations can be constructed based on one of many metrics, such as kurtosis, the sparsity measurement, entropy, approximate entropy, the smoothness index, a synthesized criterion, etc., which are able to quantify repetitive transients. Finally, given artificial observations, the prior wavelet parameter distribution can be posteriorly updated over iterations by using dynamic Bayesian inference. More importantly, the proposed new methodology can be extended to establish the optimal parameters required by many other signal processing methods for extraction of repetitive transients.

An interval precise integration method for transient unbalance response analysis of rotor system with uncertainty

NASA Astrophysics Data System (ADS)

Fu, Chao; Ren, Xingmin; Yang, Yongfeng; Xia, Yebao; Deng, Wangqun

2018-07-01

A non-intrusive interval precise integration method (IPIM) is proposed in this paper to analyze the transient unbalance response of uncertain rotor systems. The transfer matrix method (TMM) is used to derive the deterministic equations of motion of a hollow-shaft overhung rotor. The uncertain transient dynamic problem is solved by combing the Chebyshev approximation theory with the modified precise integration method (PIM). Transient response bounds are calculated by interval arithmetic of the expansion coefficients. Theoretical error analysis of the proposed method is provided briefly, and its accuracy is further validated by comparing with the scanning method in simulations. Numerical results show that the IPIM can keep good accuracy in vibration prediction of the start-up transient process. Furthermore, the proposed method can also provide theoretical guidance to other transient dynamic mechanical systems with uncertainties.

A functional-dynamic reflection on participatory processes in modeling projects.

PubMed

Seidl, Roman

2015-12-01

The participation of nonscientists in modeling projects/studies is increasingly employed to fulfill different functions. However, it is not well investigated if and how explicitly these functions and the dynamics of a participatory process are reflected by modeling projects in particular. In this review study, I explore participatory modeling projects from a functional-dynamic process perspective. The main differences among projects relate to the functions of participation-most often, more than one per project can be identified, along with the degree of explicit reflection (i.e., awareness and anticipation) on the dynamic process perspective. Moreover, two main approaches are revealed: participatory modeling covering diverse approaches and companion modeling. It becomes apparent that the degree of reflection on the participatory process itself is not always explicit and perfectly visible in the descriptions of the modeling projects. Thus, the use of common protocols or templates is discussed to facilitate project planning, as well as the publication of project results. A generic template may help, not in providing details of a project or model development, but in explicitly reflecting on the participatory process. It can serve to systematize the particular project's approach to stakeholder collaboration, and thus quality management.

A numerical scheme to solve unstable boundary value problems

NASA Technical Reports Server (NTRS)

Kalnay Derivas, E.

1975-01-01

A new iterative scheme for solving boundary value problems is presented. It consists of the introduction of an artificial time dependence into a modified version of the system of equations. Then explicit forward integrations in time are followed by explicit integrations backwards in time. The method converges under much more general conditions than schemes based in forward time integrations (false transient schemes). In particular it can attain a steady state solution of an elliptical system of equations even if the solution is unstable, in which case other iterative schemes fail to converge. The simplicity of its use makes it attractive for solving large systems of nonlinear equations.

Controlling transient chaos in deterministic flows with applications to electrical power systems and ecology

NASA Astrophysics Data System (ADS)

Dhamala, Mukeshwar; Lai, Ying-Cheng

1999-02-01

Transient chaos is a common phenomenon in nonlinear dynamics of many physical, biological, and engineering systems. In applications it is often desirable to maintain sustained chaos even in parameter regimes of transient chaos. We address how to sustain transient chaos in deterministic flows. We utilize a simple and practical method, based on extracting the fundamental dynamics from time series, to maintain chaos. The method can result in control of trajectories from almost all initial conditions in the original basin of the chaotic attractor from which transient chaos is created. We apply our method to three problems: (1) voltage collapse in electrical power systems, (2) species preservation in ecology, and (3) elimination of undesirable bursting behavior in a chemical reaction system.

Active learning of constitutive relation from mesoscopic dynamics for macroscopic modeling of non-Newtonian flows

NASA Astrophysics Data System (ADS)

Zhao, Lifei; Li, Zhen; Caswell, Bruce; Ouyang, Jie; Karniadakis, George Em

2018-06-01

We simulate complex fluids by means of an on-the-fly coupling of the bulk rheology to the underlying microstructure dynamics. In particular, a continuum model of polymeric fluids is constructed without a pre-specified constitutive relation, but instead it is actively learned from mesoscopic simulations where the dynamics of polymer chains is explicitly computed. To couple the bulk rheology of polymeric fluids and the microscale dynamics of polymer chains, the continuum approach (based on the finite volume method) provides the transient flow field as inputs for the (mesoscopic) dissipative particle dynamics (DPD), and in turn DPD returns an effective constitutive relation to close the continuum equations. In this multiscale modeling procedure, we employ an active learning strategy based on Gaussian process regression (GPR) to minimize the number of expensive DPD simulations, where adaptively selected DPD simulations are performed only as necessary. Numerical experiments are carried out for flow past a circular cylinder of a non-Newtonian fluid, modeled at the mesoscopic level by bead-spring chains. The results show that only five DPD simulations are required to achieve an effective closure of the continuum equations at Reynolds number Re = 10. Furthermore, when Re is increased to 100, only one additional DPD simulation is required for constructing an extended GPR-informed model closure. Compared to traditional message-passing multiscale approaches, applying an active learning scheme to multiscale modeling of non-Newtonian fluids can significantly increase the computational efficiency. Although the method demonstrated here obtains only a local viscosity from the polymer dynamics, it can be extended to other multiscale models of complex fluids whose macro-rheology is unknown.

Transient carrier dynamics in a Mott insulator with antiferromagnetic order

NASA Astrophysics Data System (ADS)

Iyoda, Eiki; Ishihara, Sumio

2014-03-01

We study transient dynamics of hole carriers injected into a Mott insulator with antiferromagnetic long-range order. This "dynamical hole doping" contrasts with chemical hole doping. The theoretical framework for the transient carrier dynamics is presented based on the two-dimensional t-J model. The time dependencies of the optical conductivity spectra, as well as the one-particle excitation spectra, are calculated based on the Keldysh Green's function formalism at zero temperature combined with the self-consistent Born approximation. In the early stage after dynamical hole doping, the Drude component appears, and then incoherent components originating from hole-magnon scattering start to grow. Fast oscillatory behavior owing to coherent magnon and slow relaxation dynamics are confirmed in the spectra. The time profiles are interpreted as doped bare holes being dressed by magnon clouds and relaxed into spin polaron quasiparticle states. The characteristic relaxation times for Drude and incoherent peaks strongly depend on the momentum of the dynamically doped hole and the exchange constant. Implications for recent pump-probe experiments are discussed.

Sand Impact Tests of a Half-Scale Crew Module Boilerplate Test Article

NASA Technical Reports Server (NTRS)

Vassilakos, Gregory J.; Hardy, Robin C.

2012-01-01

Although the Orion Multi-Purpose Crew Vehicle (MPCV) is being designed primarily for water landings, a further investigation of launch abort scenarios reveals the possibility of an onshore landing at Kennedy Space Center (KSC). To gather data for correlation against simulations of beach landing impacts, a series of sand impact tests were conducted at NASA Langley Research Center (LaRC). Both vertical drop tests and swing tests with combined vertical and horizontal velocity were performed onto beds of common construction-grade sand using a geometrically scaled crew module boilerplate test article. The tests were simulated using the explicit, nonlinear, transient dynamic finite element code LS-DYNA. The material models for the sand utilized in the simulations were based on tests of sand specimens. Although the LSDYNA models provided reasonable predictions for peak accelerations, they were not always able to track the response through the duration of the impact. Further improvements to the material model used for the sand were identified based on results from the sand specimen tests.

Comparison of ALE and SPH Simulations of Vertical Drop Tests of a Composite Fuselage Section into Water

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fuchs, Yvonne T.

2008-01-01

Simulation of multi-terrain impact has been identified as an important research area for improved prediction of rotorcraft crashworthiness within the NASA Subsonic Rotary Wing Aeronautics Program on Rotorcraft Crashworthiness. As part of this effort, two vertical drop tests were conducted of a 5-ft-diameter composite fuselage section into water. For the first test, the fuselage section was impacted in a baseline configuration without energy absorbers. For the second test, the fuselage section was retrofitted with a composite honeycomb energy absorber. Both tests were conducted at a nominal velocity of 25-ft/s. A detailed finite element model was developed to represent each test article and water impact was simulated using both Arbitrary Lagrangian Eulerian (ALE) and Smooth Particle Hydrodynamics (SPH) approaches in LS-DYNA, a nonlinear, explicit transient dynamic finite element code. Analytical predictions were correlated with experimental data for both test configurations. In addition, studies were performed to evaluate the influence of mesh density on test-analysis correlation.

Finite Element Simulation of a Space Shuttle Solid Rocket Booster Aft Skirt Splashdown Using an Arbitrary Lagrangian-Eulerian Approach

NASA Astrophysics Data System (ADS)

Melis, Matthew E.

2003-01-01

Explicit finite element techniques employing an Arbitrary Lagrangian-Eulerian (ALE) methodology, within the transient dynamic code LS-DYNA, are used to predict splashdown loads on a proposed replacement/upgrade of the hydrazine tanks on the thrust vector control system housed within the aft skirt of a Space Shuttle Solid Rocket Booster. Two preliminary studies are performed prior to the full aft skirt analysis: An analysis of the proposed tank impacting water without supporting aft skirt structure, and an analysis of space capsule water drop tests conducted at NASA's Langley Research Center. Results from the preliminary studies provide confidence that useful predictions can be made by applying the ALE methodology to a detailed analysis of a 26-degree section of the skirt with proposed tank attached. Results for all three studies are presented and compared to limited experimental data. The challenges of using the LS-DYNA ALE capability for this type of analysis are discussed.

Solution of large nonlinear quasistatic structural mechanics problems on distributed-memory multiprocessor computers

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

Blanford, M.

1997-12-31

Most commercially-available quasistatic finite element programs assemble element stiffnesses into a global stiffness matrix, then use a direct linear equation solver to obtain nodal displacements. However, for large problems (greater than a few hundred thousand degrees of freedom), the memory size and computation time required for this approach becomes prohibitive. Moreover, direct solution does not lend itself to the parallel processing needed for today`s multiprocessor systems. This talk gives an overview of the iterative solution strategy of JAS3D, the nonlinear large-deformation quasistatic finite element program. Because its architecture is derived from an explicit transient-dynamics code, it does not ever assemblemore » a global stiffness matrix. The author describes the approach he used to implement the solver on multiprocessor computers, and shows examples of problems run on hundreds of processors and more than a million degrees of freedom. Finally, he describes some of the work he is presently doing to address the challenges of iterative convergence for ill-conditioned problems.« less

Crash Simulation of a Vertical Drop Test of a Commuter-Class Aircraft

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.

2004-01-01

A finite element model of an ATR42-300 commuter-class aircraft was developed and a crash simulation was executed. Analytical predictions were correlated with data obtained from a 30-ft/s (9.14-m/s) vertical drop test of the aircraft. The purpose of the test was to evaluate the structural response of the aircraft when subjected to a severe, but survivable, impact. The aircraft was configured with seats, dummies, luggage, and other ballast. The wings were filled with 8,700 lb. (3,946 kg) of water to represent the fuel. The finite element model, which consisted of 57,643 nodes and 62,979 elements, was developed from direct measurements of the airframe geometry. The seats, dummies, luggage, fuel, and other ballast were represented using concentrated masses. The model was executed in LS-DYNA, a commercial code for performing explicit transient dynamic simulations. Predictions of structural deformation and selected time-history responses were generated. The simulation was successfully validated through extensive test-analysis correlation.

Memory retrieval and the passage of time: from reconsolidation and strengthening to extinction

PubMed Central

Inda, Maria Carmen; Muravieva, Elizaveta V.; Alberini, Cristina M.

2011-01-01

An established memory can be made transiently labile if retrieved or reactivated. Over time, it becomes again resistant to disruption and this process that renders the memory stable is termed reconsolidation. The reasons why a memory becomes labile after retrieval and reconsolidates still remains debated. Here, using inhibitory avoidance (IA) learning in rats, we provide evidence that retrievals of a young memory, which are accompanied by its reconsolidation, result in memory strengthening and contribute to its overall consolidation. This function associated to reconsolidation is temporally limited. With the passage of time, the stored memory undergoes important changes, as revealed by the behavioral outcomes of its retrieval. Over time, without explicit retrievals, memory first strengthens and becomes refractory to both retrieval-dependent interference and strengthening. At later times, the same retrievals that lead to reconsolidation of a young memory extinguish an older memory. We conclude that the storage of information is very dynamic and that its temporal evolution regulates behavioral outcomes. These results are important for potential clinical applications. PMID:21289172

Finite Element Simulation of a Space Shuttle Solid Rocket Booster Aft Skirt Splashdown Using an Arbitrary Lagrangian-eulerian Approach

NASA Technical Reports Server (NTRS)

Melis, Matthew E.

2003-01-01

Explicit finite element techniques employing an Arbitrary Lagrangian-Eulerian (ALE) methodology, within the transient dynamic code LS-DYNA, are used to predict splashdown loads on a proposed replacement/upgrade of the hydrazine tanks on the thrust vector control system housed within the aft skirt of a Space Shuttle Solid Rocket Booster. Two preliminary studies are performed prior to the full aft skirt analysis: An analysis of the proposed tank impacting water without supporting aft skirt structure, and an analysis of space capsule water drop tests conducted at NASA's Langley Research Center. Results from the preliminary studies provide confidence that useful predictions can be made by applying the ALE methodology to a detailed analysis of a 26-degree section of the skirt with proposed tank attached. Results for all three studies are presented and compared to limited experimental data. The challenges of using the LS-DYNA ALE capability for this type of analysis are discussed.

Transient reaction of an elastic half-plane on a source of a concentrated boundary disturbance

NASA Astrophysics Data System (ADS)

Okonechnikov, A. S.; Tarlakovski, D. V.; Ul'yashina, A. N.; Fedotenkov, G. V.

2016-11-01

One of the key problems in studying the non-stationary processes of solid mechanics is obtaining of influence functions. These functions serve as solutions for the problems of effect of sudden concentrated loads on a body with linear elastic properties. Knowledge of the influence functions allows us to obtain the solutions for the problems with non-mixed boundary and initial conditions in the form of quadrature formulae with the help of superposition principle, as well as get the integral governing equations for the problems with mixed boundary and initial conditions. This paper offers explicit derivations for all nonstationary surface influence functions of an elastic half-plane in a plane strain condition. It is achieved with the help of combined inverse transform of a Fourier-Laplace integral transformation. The external disturbance is both dynamic and kinematic. The derived functions in xτ-domain are studied to find and describe singularities and are supplemented with graphs.

Crash Simulation of a Boeing 737 Fuselage Section Vertical Drop Test

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.; Jones, Yvonne T.; Frings, Gary; Vu, Tong

2004-01-01

A 30-ft/s vertical drop test of a fuselage section of a Boeing 737 aircraft was conducted in October of 1999 at the FAA Technical Center in Atlantic City, NJ. This test was performed to evaluate the structural integrity of a conformable auxiliary fuel tank mounted beneath the floor and to determine its effect on the impact response of the airframe structure and the occupants. The test data were used to compare with a finite element simulation of the fuselage structure and to gain a better understanding of the impact physics through analytical/experimental correlation. To perform this simulation, a full-scale 3-dimensional finite element model of the fuselage section was developed using the explicit, nonlinear transient-dynamic finite element code, MSC.Dytran. The emphasis of the simulation was to predict the structural deformation and floor-level acceleration responses obtained from the drop test of the B737 fuselage section with the auxiliary fuel tank.

The SPAR thermal analyzer: Present and future

NASA Astrophysics Data System (ADS)

Marlowe, M. B.; Whetstone, W. D.; Robinson, J. C.

The SPAR thermal analyzer, a system of finite-element processors for performing steady-state and transient thermal analyses, is described. The processors communicate with each other through the SPAR random access data base. As each processor is executed, all pertinent source data is extracted from the data base and results are stored in the data base. Steady state temperature distributions are determined by a direct solution method for linear problems and a modified Newton-Raphson method for nonlinear problems. An explicit and several implicit methods are available for the solution of transient heat transfer problems. Finite element plotting capability is available for model checkout and verification.

The SPAR thermal analyzer: Present and future

NASA Technical Reports Server (NTRS)

Marlowe, M. B.; Whetstone, W. D.; Robinson, J. C.

1982-01-01

The SPAR thermal analyzer, a system of finite-element processors for performing steady-state and transient thermal analyses, is described. The processors communicate with each other through the SPAR random access data base. As each processor is executed, all pertinent source data is extracted from the data base and results are stored in the data base. Steady state temperature distributions are determined by a direct solution method for linear problems and a modified Newton-Raphson method for nonlinear problems. An explicit and several implicit methods are available for the solution of transient heat transfer problems. Finite element plotting capability is available for model checkout and verification.

CHARACTERIZING STORM HYDROGRAPH RISE AND FALL DYNAMICS AND THEIR RELATIONSHIP WITH STREAM STAGE DATA

EPA Science Inventory

Stormflow transients (i.e., hydrograph rise and fall dynamics) have been shown to impact stream biota through impacts on habitat quality and availability. However, little is known about how climate variability and temporal resolution of transient data may color the putative relat...

Implicit–explicit (IMEX) Runge–Kutta methods for non-hydrostatic atmospheric models

DOE PAGES

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.; ...

2018-04-17

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit–explicit (IMEX) additive Runge–Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit – vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored.The accuracymore » and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.« less

Implicit-explicit (IMEX) Runge-Kutta methods for non-hydrostatic atmospheric models

NASA Astrophysics Data System (ADS)

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.; Reynolds, Daniel R.; Ullrich, Paul A.; Woodward, Carol S.

2018-04-01

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit-explicit (IMEX) additive Runge-Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit - vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored. The accuracy and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.

Implicit–explicit (IMEX) Runge–Kutta methods for non-hydrostatic atmospheric models

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

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit–explicit (IMEX) additive Runge–Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit – vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored.The accuracymore » and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.« less

Nonlinear modeling and dynamic analysis of a hydro-turbine governing system in the process of sudden load increase transient

NASA Astrophysics Data System (ADS)

Li, Huanhuan; Chen, Diyi; Zhang, Hao; Wang, Feifei; Ba, Duoduo

2016-12-01

In order to study the nonlinear dynamic behaviors of a hydro-turbine governing system in the process of sudden load increase transient, we establish a novel nonlinear dynamic model of the hydro-turbine governing system which considers the elastic water-hammer model of the penstock and the second-order model of the generator. The six nonlinear dynamic transfer coefficients of the hydro-turbine are innovatively proposed by utilizing internal characteristics and analyzing the change laws of the characteristic parameters of the hydro-turbine governing system. Moreover, from the point of view of engineering, the nonlinear dynamic behaviors of the above system are exhaustively investigated based on bifurcation diagrams and time waveforms. More importantly, all of the above analyses supply theoretical basis for allowing a hydropower station to maintain a stable operation in the process of sudden load increase transient.

Development of an Aeroelastic Modeling Capability for Transient Nozzle Side Load Analysis

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Zhao, Xiang; Zhang, Sijun; Chen, Yen-Sen

2013-01-01

Lateral nozzle forces are known to cause severe structural damage to any new rocket engine in development during test. While three-dimensional, transient, turbulent, chemically reacting computational fluid dynamics methodology has been demonstrated to capture major side load physics with rigid nozzles, hot-fire tests often show nozzle structure deformation during major side load events, leading to structural damages if structural strengthening measures were not taken. The modeling picture is incomplete without the capability to address the two-way responses between the structure and fluid. The objective of this study is to develop a coupled aeroelastic modeling capability by implementing the necessary structural dynamics component into an anchored computational fluid dynamics methodology. The computational fluid dynamics component is based on an unstructured-grid, pressure-based computational fluid dynamics formulation, while the computational structural dynamics component is developed in the framework of modal analysis. Transient aeroelastic nozzle startup analyses of the Block I Space Shuttle Main Engine at sea level were performed. The computed results from the aeroelastic nozzle modeling are presented.

Light, Molecules, Action: Broadband UV-visible transient absorption studies of excited state dynamics in photoactive molecules

NASA Astrophysics Data System (ADS)

Sension, Roseanne

2015-03-01

Broadband UV-visible transient absorption spectroscopy provides a powerful tool for the investigation of the dynamics of electronically excited molecules in the condensed phase. It is now possible to obtain transient spectra on a routine basis spanning the range from <300 nm to >800 nm with femtosecond time resolution. We have used this method to study the excited state dynamics and internal conversion of a range of molecular systems with potential application as optically powered molecular devices. The cyclohexadiene ring-opening reaction is the basis of a class of important optical switches and of the biological synthesis of previtamin D3. The ring-opening reaction is ultrafast, occurring on a picosecond to subpicosecond times scale depending on the substituents around the ring. These have a significant influence on the dynamics and electronic structure of the electronically excited molecule. The results of a series of transient absorption studies as a function of chromophore substitution and environment will be presented. The cis-trans isomerization of polyene molecules, especially substituted stilbenes, provides another important class of functional molecular transformations. Again the excited state dynamics can be ultrafast with photochemistry controlled by details of the curve crossings and conical intersections. Finally the photochemistry of the even more complex set of cobalamin chromophores with a photoalabile C-Co bond has been proposed as a tool for spatio-temporal control of molecule delivery including drug delivery. Broadband transient absorption spectroscopy has been used to investigate the ultrafast electronic dynamics of a range of cobalamin compounds with comparison to detailed theoretical calculations. The results of these studies will be presented.

Dynamics of droplet motion under electrowetting actuation.

PubMed

Annapragada, S Ravi; Dash, Susmita; Garimella, Suresh V; Murthy, Jayathi Y

2011-07-05

The static shape of droplets under electrowetting actuation is well understood. The steady-state shape of the droplet is obtained on the basis of the balance of surface tension and electrowetting forces, and the change in the apparent contact angle is well characterized by the Young-Lippmann equation. However, the transient droplet shape behavior when a voltage is suddenly applied across a droplet has received less attention. Additional dynamic frictional forces are at play during this transient process. We present a model to predict this transient behavior of the droplet shape under electrowetting actuation. The droplet shape is modeled using the volume of fluid method. The electrowetting and dynamic frictional forces are included as an effective dynamic contact angle through a force balance at the contact line. The model is used to predict the transient behavior of water droplets on smooth hydrophobic surfaces under electrowetting actuation. The predictions of the transient behavior of droplet shape and contact radius are in excellent agreement with our experimental measurements. The internal fluid motion is explained, and the droplet motion is shown to initiate from the contact line. An approximate mathematical model is also developed to understand the physics of the droplet motion and to describe the overall droplet motion and the contact line velocities. © 2011 American Chemical Society

Spatially explicit modelling of cholera epidemics

NASA Astrophysics Data System (ADS)

Finger, F.; Bertuzzo, E.; Mari, L.; Knox, A. C.; Gatto, M.; Rinaldo, A.

2013-12-01

Epidemiological models can provide crucial understanding about the dynamics of infectious diseases. Possible applications range from real-time forecasting and allocation of health care resources to testing alternative intervention mechanisms such as vaccines, antibiotics or the improvement of sanitary conditions. We apply a spatially explicit model to the cholera epidemic that struck Haiti in October 2010 and is still ongoing. The dynamics of susceptibles as well as symptomatic and asymptomatic infectives are modelled at the scale of local human communities. Dissemination of Vibrio cholerae through hydrological transport and human mobility along the road network is explicitly taken into account, as well as the effect of rainfall as a driver of increasing disease incidence. The model is calibrated using a dataset of reported cholera cases. We further model the long term impact of several types of interventions on the disease dynamics by varying parameters appropriately. Key epidemiological mechanisms and parameters which affect the efficiency of treatments such as antibiotics are identified. Our results lead to conclusions about the influence of different intervention strategies on the overall epidemiological dynamics.

Experimental and Analytical Evaluation of a Composite Honeycomb Deployable Energy Absorber

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Kellas, Sotiris; Horta, Lucas G.; Annett, Martin S.; Polanco, Michael A.; Littell, Justin D.; Fasanella, Edwin L.

2011-01-01

In 2006, the NASA Subsonic Rotary Wing Aeronautics Program sponsored the experimental and analytical evaluation of an externally deployable composite honeycomb structure that is designed to attenuate impact energy during helicopter crashes. The concept, which is designated the Deployable Energy Absorber (DEA), utilizes an expandable Kevlar honeycomb structure to dissipate kinetic energy through crushing. The DEA incorporates a unique flexible hinge design that allows the honeycomb to be packaged and stowed flat until needed for deployment. A variety of deployment options such as linear, radial, and/or hybrid methods can be used. Experimental evaluation of the DEA utilized a building block approach that included material characterization testing of its constituent, Kevlar -129 fabric/epoxy, and flexural testing of single hexagonal cells. In addition, the energy attenuation capabilities of the DEA were demonstrated through multi-cell component dynamic crush tests, and vertical drop tests of a composite fuselage section, retrofitted with DEA blocks, onto concrete, water, and soft soil. During each stage of the DEA evaluation process, finite element models of the test articles were developed and simulations were performed using the explicit, nonlinear transient dynamic finite element code, LS-DYNA. This report documents the results of the experimental evaluation that was conducted to assess the energy absorption capabilities of the DEA.

Modeling the hysteretic moisture and temperature responses of soil carbon decomposition resulting from organo-mineral interactions

NASA Astrophysics Data System (ADS)

Tang, J.; Riley, W. J.

2017-12-01

Most existing soil carbon cycle models have modeled the moisture and temperature dependence of soil respiration using deterministic response functions. However, empirical data suggest abundant variability in both of these dependencies. We here use the recently developed SUPECA (Synthesizing Unit and Equilibrium Chemistry Approximation) theory and a published dynamic energy budget based microbial model to investigate how soil carbon decomposition responds to changes in soil moisture and temperature under the influence of organo-mineral interactions. We found that both the temperature and moisture responses are hysteretic and cannot be represented by deterministic functions. We then evaluate how the multi-scale variability in temperature and moisture forcing affect soil carbon decomposition. Our results indicate that when the model is run in scenarios mimicking laboratory incubation experiments, the often-observed temperature and moisture response functions can be well reproduced. However, when such response functions are used for model extrapolation involving more transient variability in temperature and moisture forcing (as found in real ecosystems), the dynamic model that explicitly accounts for hysteresis in temperature and moisture dependency produces significantly different estimations of soil carbon decomposition, suggesting there are large biases in models that do not resolve such hysteresis. We call for more studies on organo-mineral interactions to improve modeling of such hysteresis.

Crashworthy Evaluation of a 1/5-Scale Model Composite Fuselage Concept

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.

1999-01-01

A 1/5-scale model composite fuselage concept for light aircraft and rotorcraft has been developed to satisfy structural and flight loads requirements and to satisfy design goals for improved crashworthiness. The 1/5-scale model fuselage consists of a relatively rigid upper section which forms the passenger cabin, a stiff structural floor, and an energy absorbing subfloor which is designed to limit impact forces during a crash event. The focus of the present paper is to describe the crashworthy evaluation of the fuselage concept through impact testing and finite element simulation using the nonlinear, explicit transient dynamic code, MSC/DYTRAN. The energy absorption behavior of two different subfloor configurations was determined through quasi-static crushing tests. For the dynamic evaluation, each subfloor configuration was incorporated into a 1/5-scale model fuselage section, which was impacted at 31 ft/s vertical velocity onto a rigid surface. The experimental data demonstrate that the fuselage section with a foam-filled subfloor configuration satisfied the impact design requirement. In addition, the fuselage section maintained excellent energy absorption behavior for a 31 ft/s vertical drop test with a 15 deg-roll impact attitude. Good correlation was obtained between the experimental data and analytical results for both impact conditions.

Temperature-sensitive gating of TRPV1 channel as probed by atomistic simulations of its trans- and juxtamembrane domains

NASA Astrophysics Data System (ADS)

Chugunov, Anton O.; Volynsky, Pavel E.; Krylov, Nikolay A.; Nolde, Dmitry E.; Efremov, Roman G.

2016-09-01

Heat-activated transient receptor potential channel TRPV1 is one of the most studied eukaryotic proteins involved in temperature sensation. Upon heating, it exhibits rapid reversible pore gating, which depolarizes neurons and generates action potentials. Underlying molecular details of such effects in the pore region of TRPV1 is of a crucial importance to control temperature responses of the organism. Despite the spatial structure of the channel in both open (O) and closed (C) states is known, microscopic nature of channel gating and mechanism of thermal sensitivity are still poorly understood. In this work, we used unrestrained atomistic molecular dynamics simulations of TRPV1 (without N- and C-terminal cytoplasmic domains) embedded into explicit lipid bilayer in its O- and C-states. We found that the pore domain with its neighboring loops undergoes large temperature-dependent conformational transitions in an asymmetric way, when fragments of only one monomer move with large amplitude, freeing the pore upon heating. Such an asymmetrical gating looks rather biologically relevant because it is faster and more reliable than traditionally proposed “iris-like” symmetric scheme of channel opening. Analysis of structural, dynamic, and hydrophobic organization of the pore domain revealed entropy growth upon TRPV1 gating, which is in line with current concepts of thermal sensitivity.

Group implicit concurrent algorithms in nonlinear structural dynamics

NASA Technical Reports Server (NTRS)

Ortiz, M.; Sotelino, E. D.

1989-01-01

During the 70's and 80's, considerable effort was devoted to developing efficient and reliable time stepping procedures for transient structural analysis. Mathematically, the equations governing this type of problems are generally stiff, i.e., they exhibit a wide spectrum in the linear range. The algorithms best suited to this type of applications are those which accurately integrate the low frequency content of the response without necessitating the resolution of the high frequency modes. This means that the algorithms must be unconditionally stable, which in turn rules out explicit integration. The most exciting possibility in the algorithms development area in recent years has been the advent of parallel computers with multiprocessing capabilities. So, this work is mainly concerned with the development of parallel algorithms in the area of structural dynamics. A primary objective is to devise unconditionally stable and accurate time stepping procedures which lend themselves to an efficient implementation in concurrent machines. Some features of the new computer architecture are summarized. A brief survey of current efforts in the area is presented. A new class of concurrent procedures, or Group Implicit algorithms is introduced and analyzed. The numerical simulation shows that GI algorithms hold considerable promise for application in coarse grain as well as medium grain parallel computers.

Floquet–Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

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

Kuwahara, Tomotaka, E-mail: tomotaka.phys@gmail.com; WPI, Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577; Mori, Takashi

2016-04-15

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet–Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian onmore » the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems. -- Highlights: •A general framework to describe transient dynamics for periodically driven systems. •The theory is applicable to generic quantum many-body systems including long-range interacting systems. •Physical meaning of the truncation of the Floquet–Magnus expansion is rigorously established. •New mechanism of the prethermalization is proposed. •Revealing an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed.« less

Transport dynamics of a high-power-density matrix-type hydrogen-oxygen fuel cell

NASA Technical Reports Server (NTRS)

Prokopius, P. R.; Hagedorn, N. H.

1974-01-01

Experimental transport dynamics tests were made on a space power fuel cell of current design. Various operating transients were introduced and transport-related response data were recorded with fluidic humidity sensing instruments. Also, sampled data techniques were developed for measuring the cathode-side electrolyte concentration during transient operation.

Static Tensile and Transient Dynamic Response of Cracked Aluminum Plate Repaired with Composite Patch - Numerical Study

NASA Astrophysics Data System (ADS)

Khalili, S. M. R.; Shariyat, M.; Mokhtari, M.

2014-06-01

In this study, the central cracked aluminum plates repaired with two sided composite patches are investigated numerically for their response to static tensile and transient dynamic loadings. Contour integral method is used to define and evaluate the stress intensity factors at the crack tips. The reinforcement for the composite patches is carbon fibers. The effect of adhesive thickness and patch thickness and configuration in tensile loading case and pre-tension, pre-compression and crack length effect on the evolution of the mode I stress intensity factor (SIF) (KI) of the repaired structure under transient dynamic loading case are examined. The results indicated that KI of the central cracked plate is reduced by 1/10 to 1/2 as a result of the bonded composite patch repair in tensile loading case. The crack length and the pre-loads are more effective in repaired structure in transient dynamic loading case in which, the 100 N pre-compression reduces the maximum KI for about 40 %, and the 100 N pre-tension reduces the maximum KI after loading period, by about 196 %.

Unsteady hovering wake parameters identified from dynamic model tests, part 1

NASA Technical Reports Server (NTRS)

Hohenemser, K. H.; Crews, S. T.

1977-01-01

The development of a 4-bladed model rotor is reported that can be excited with a simple eccentric mechanism in progressing and regressing modes with either harmonic or transient inputs. Parameter identification methods were applied to the problem of extracting parameters for linear perturbation models, including rotor dynamic inflow effects, from the measured blade flapping responses to transient pitch stirring excitations. These perturbation models were then used to predict blade flapping response to other pitch stirring transient inputs, and rotor wake and blade flapping responses to harmonic inputs. The viability and utility of using parameter identification methods for extracting the perturbation models from transients are demonstrated through these combined analytical and experimental studies.

Dynamic characteristics of a pump-turbine during hydraulic transients of a model pumped-storage system: 3D CFD simulation

NASA Astrophysics Data System (ADS)

Zhang, X. X.; Cheng, Y. G.; Xia, L. S.; Yang, J. D.

2014-03-01

The runaway process in a model pumped-storage system was simulated for analyzing the dynamic characteristics of a pump-turbine. The simulation was adopted by coupling 1D (One Dimensional) pipeline MOC (Method of Characteristics) equations with a 3D (Three Dimensional) pump-turbine CFD (Computational Fluid Dynamics) model, in which the water hammer wave in the 3D zone was defined by giving a pressure dependent density. We found from the results that the dynamic performances of the pump-turbine do not coincide with the static operating points, especially in the S-shaped characteristics region, where the dynamic trajectories follow ring-shaped curves. Specifically, the transient operating points with the same Q11 and M11 in different moving directions of the dynamic trajectories give different n11. The main reason of this phenomenon is that the transient flow patterns inside the pump-turbine are influenced by the ones in the previous time step, which leads to different flow patterns between the points with the same Q11 and M11 in different moving directions of the dynamic trajectories.

Reconfigurable Control with Neural Network Augmentation for a Modified F-15 Aircraft

NASA Technical Reports Server (NTRS)

Burken, John J.

2007-01-01

This paper describes the performance of a simplified dynamic inversion controller with neural network supplementation. This 6 DOF (Degree-of-Freedom) simulation study focuses on the results with and without adaptation of neural networks using a simulation of the NASA modified F-15 which has canards. One area of interest is the performance of a simulated surface failure while attempting to minimize the inertial cross coupling effect of a [B] matrix failure (a control derivative anomaly associated with a jammed or missing control surface). Another area of interest and presented is simulated aerodynamic failures ([A] matrix) such as a canard failure. The controller uses explicit models to produce desired angular rate commands. The dynamic inversion calculates the necessary surface commands to achieve the desired rates. The simplified dynamic inversion uses approximate short period and roll axis dynamics. Initial results indicated that the transient response for a [B] matrix failure using a Neural Network (NN) improved the control behavior when compared to not using a neural network for a given failure, However, further evaluation of the controller was comparable, with objections io the cross coupling effects (after changes were made to the controller). This paper describes the methods employed to reduce the cross coupling effect and maintain adequate tracking errors. The IA] matrix failure results show that control of the aircraft without adaptation is more difficult [leas damped) than with active neural networks, Simulation results show Neural Network augmentation of the controller improves performance in terms of backing error and cross coupling reduction and improved performance with aerodynamic-type failures.

Finite difference methods for transient signal propagation in stratified dispersive media

NASA Technical Reports Server (NTRS)

Lam, D. H.

1975-01-01

Explicit difference equations are presented for the solution of a signal of arbitrary waveform propagating in an ohmic dielectric, a cold plasma, a Debye model dielectric, and a Lorentz model dielectric. These difference equations are derived from the governing time-dependent integro-differential equations for the electric fields by a finite difference method. A special difference equation is derived for the grid point at the boundary of two different media. Employing this difference equation, transient signal propagation in an inhomogeneous media can be solved provided that the medium is approximated in a step-wise fashion. The solutions are generated simply by marching on in time. It is concluded that while the classical transform methods will remain useful in certain cases, with the development of the finite difference methods described, an extensive class of problems of transient signal propagating in stratified dispersive media can be effectively solved by numerical methods.

An efficient, explicit finite-rate algorithm to compute flows in chemical nonequilibrium

NASA Technical Reports Server (NTRS)

Palmer, Grant

1989-01-01

An explicit finite-rate code was developed to compute hypersonic viscous chemically reacting flows about three-dimensional bodies. Equations describing the finite-rate chemical reactions were fully coupled to the gas dynamic equations using a new coupling technique. The new technique maintains stability in the explicit finite-rate formulation while permitting relatively large global time steps.

From Classical to Quantum: New Canonical Tools for the Dynamics of Gravity

NASA Astrophysics Data System (ADS)

Höhn, P. A.

2012-05-01

In a gravitational context, canonical methods offer an intuitive picture of the dynamics and simplify an identification of the degrees of freedom. Nevertheless, extracting dynamical information from background independent approaches to quantum gravity is a highly non-trivial challenge. In this thesis, the conundrum of (quantum) gravitational dynamics is approached from two different directions by means of new canonical tools. This thesis is accordingly divided into two parts: In the first part, a general canonical formalism for discrete systems featuring a variational action principle is developed which is equivalent to the covariant formulation following directly from the action. This formalism can handle evolving phase spaces and is thus appropriate for describing evolving lattices. Attention will be devoted to a characterization of the constraints, symmetries and degrees of freedom appearing in such discrete systems which, in the case of evolving phase spaces, is time step dependent. The advantage of this formalism is that it does not depend on the particular discretization and, hence, is suitable for coarse graining procedures. This formalism is applicable to discrete mechanics, lattice field theories and discrete gravity models---underlying some approaches to quantum gravity---and, furthermore, may prove useful for numerical imple mentations. For concreteness, these new tools are employed to formulate Regge Calculus canonically as a theory of the dynamics of discrete hypersurfaces in discrete spacetimes, thereby removing a longstanding obstacle to connecting covariant simplicial gravity models with canonical frameworks. This result is interesting in view of several background independent approaches to quantum gravity. In addition, perturbative expansions around symmetric background solutions of Regge Calculus are studied up to second order. Background gauge modes generically become propagating at second order as a consequence of a symmetry breaking. In the second part of this thesis, the paradigm of relational dynamics is considered. Dynamical observables in gravity are relational. Unfortunately, their construction and evaluation is notoriously difficult, especially in the quantum theory. An effective canonical framework is devised which permits to evaluate the semiclassical relational dynamics of constrained quantum systems by sidestepping technical problems associated with explicit constructions of physical Hilbert spaces. This effective approach is well-geared for addressing the concept of relational evolution in general quantum cosmological models since it (i) allows to depart from idealized relational `clock references’ and, instead, to employ generic degrees of freedom as imperfect relational `clocks’, (ii) enables one to systematically switch between different such `clocks’ and (iii) yields a consistent (temporally) local time evolution with transient observables so long as semiclassicality holds. These techniques are illustrated by toy models and, finally, are applied to a non-integrable cosmological model. It is argued that relational evolution is generically only a transient and semiclassical phenomenon

Sierra/Solid Mechanics 4.48 User's Guide.

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

Merewether, Mark Thomas; Crane, Nathan K; de Frias, Gabriel Jose

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutionsmore » of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.« less

Comparison of Damage Path Predictions for Composite Laminates by Explicit and Standard Finite Element Analysis Tools

NASA Technical Reports Server (NTRS)

Bogert, Philip B.; Satyanarayana, Arunkumar; Chunchu, Prasad B.

2006-01-01

Splitting, ultimate failure load and the damage path in center notched composite specimens subjected to in-plane tension loading are predicted using progressive failure analysis methodology. A 2-D Hashin-Rotem failure criterion is used in determining intra-laminar fiber and matrix failures. This progressive failure methodology has been implemented in the Abaqus/Explicit and Abaqus/Standard finite element codes through user written subroutines "VUMAT" and "USDFLD" respectively. A 2-D finite element model is used for predicting the intra-laminar damages. Analysis results obtained from the Abaqus/Explicit and Abaqus/Standard code show good agreement with experimental results. The importance of modeling delamination in progressive failure analysis methodology is recognized for future studies. The use of an explicit integration dynamics code for simple specimen geometry and static loading establishes a foundation for future analyses where complex loading and nonlinear dynamic interactions of damage and structure will necessitate it.

An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodology.

PubMed

Hermann, Gunter; Pohl, Vincent; Tremblay, Jean Christophe

2017-10-30

In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet is written as a linear combination of N-electron wave functions at the configuration interaction singles (CIS) level, which are obtained from a reference time-dependent density functional theory (TDDFT) calculation. The procedure is implemented in the open-source Python program detCI@ORBKIT, which extends the capabilities of our recently published post-processing toolbox (Hermann et al., J. Comput. Chem. 2016, 37, 1511). From the output of standard quantum chemistry packages using atom-centered Gaussian-type basis functions, the framework exploits the multideterminental structure of the hybrid TDDFT/CIS wave packet to compute fundamental one-electron quantities such as difference electronic densities, transient electronic flux densities, and transition dipole moments. The hybrid scheme is benchmarked against wave function data for the laser-driven state selective excitation in LiH. It is shown that all features of the electron dynamics are in good quantitative agreement with the higher-level method provided a judicious choice of functional is made. Broadband excitation of a medium-sized organic chromophore further demonstrates the scalability of the method. In addition, the time-dependent flux densities unravel the mechanistic details of the simulated charge migration process at a glance. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Local random configuration-tree theory for string repetition and facilitated dynamics of glass

NASA Astrophysics Data System (ADS)

Lam, Chi-Hang

2018-02-01

We derive a microscopic theory of glassy dynamics based on the transport of voids by micro-string motions, each of which involves particles arranged in a line hopping simultaneously displacing one another. Disorder is modeled by a random energy landscape quenched in the configuration space of distinguishable particles, but transient in the physical space as expected for glassy fluids. We study the evolution of local regions with m coupled voids. At a low temperature, energetically accessible local particle configurations can be organized into a random tree with nodes and edges denoting configurations and micro-string propagations respectively. Such trees defined in the configuration space naturally describe systems defined in two- or three-dimensional physical space. A micro-string propagation initiated by a void can facilitate similar motions by other voids via perturbing the random energy landscape, realizing path interactions between voids or equivalently string interactions. We obtain explicit expressions of the particle diffusion coefficient and a particle return probability. Under our approximation, as temperature decreases, random trees of energetically accessible configurations exhibit a sequence of percolation transitions in the configuration space, with local regions containing fewer coupled voids entering the non-percolating immobile phase first. Dynamics is dominated by coupled voids of an optimal group size, which increases as temperature decreases. Comparison with a distinguishable-particle lattice model (DPLM) of glass shows very good quantitative agreements using only two adjustable parameters related to typical energy fluctuations and the interaction range of the micro-strings.

Dynamics of mechanical feedback-type hydraulic servomotors under inertia loads

NASA Technical Reports Server (NTRS)

Gold, Harold; Otto, Edward W; Ransom, Victor L

1953-01-01

An analysis of the dynamics of mechanical feedback-type hydraulic servomotors under inertia loads is developed and experimental verification is presented. The analysis, which is developed in terms of two physical parameters, yields direct expressions for the following dynamic responses: (1) the transient response to a step input and the maximum cylinder pressure during the transient and (2) the variation of amplitude attenuation and phase shift with the frequency of a sinusoidally varying input. The validity of the analysis is demonstrated by means of recorded transient and frequency responses obtained on two servomotors. The calculated responses are in close agreement with the measured responses. The relations presented are readily applicable to the design as well as to the analysis of hydraulic servomotors.

Synchronizing noisy nonidentical oscillators by transient uncoupling

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

Tandon, Aditya, E-mail: adityat@iitk.ac.in; Mannattil, Manu, E-mail: mmanu@iitk.ac.in; Schröder, Malte, E-mail: malte@nld.ds.mpg.de

2016-09-15

Synchronization is the process of achieving identical dynamics among coupled identical units. If the units are different from each other, their dynamics cannot become identical; yet, after transients, there may emerge a functional relationship between them—a phenomenon termed “generalized synchronization.” Here, we show that the concept of transient uncoupling, recently introduced for synchronizing identical units, also supports generalized synchronization among nonidentical chaotic units. Generalized synchronization can be achieved by transient uncoupling even when it is impossible by regular coupling. We furthermore demonstrate that transient uncoupling stabilizes synchronization in the presence of common noise. Transient uncoupling works best if the unitsmore » stay uncoupled whenever the driven orbit visits regions that are locally diverging in its phase space. Thus, to select a favorable uncoupling region, we propose an intuitive method that measures the local divergence at the phase points of the driven unit's trajectory by linearizing the flow and subsequently suppresses the divergence by uncoupling.« less

Metastable dynamical patterns and their stabilization in arrays of bidirectionally coupled sigmoidal neurons

NASA Astrophysics Data System (ADS)

Horikawa, Yo

2013-12-01

Transient patterns in a bistable ring of bidirectionally coupled sigmoidal neurons were studied. When the system had a pair of spatially uniform steady solutions, the instability of unstable spatially nonuniform steady solutions decreased exponentially with the number of neurons because of the symmetry of the system. As a result, transient spatially nonuniform patterns showed dynamical metastability: Their duration increased exponentially with the number of neurons and the duration of randomly generated patterns obeyed a power-law distribution. However, these metastable dynamical patterns were easily stabilized in the presence of small variations in coupling strength. Metastable rotating waves and their pinning in the presence of asymmetry in the direction of coupling and the disappearance of metastable dynamical patterns due to asymmetry in the output function of a neuron were also examined. Further, in a two-dimensional array of neurons with nearest-neighbor coupling, intrinsically one-dimensional patterns were dominant in transients, and self-excitation in these neurons affected the metastable dynamical patterns.

Real-time full-field characterization of transient dissipative soliton dynamics in a mode-locked laser

NASA Astrophysics Data System (ADS)

Ryczkowski, P.; Närhi, M.; Billet, C.; Merolla, J.-M.; Genty, G.; Dudley, J. M.

2018-04-01

Dissipative solitons are remarkably localized states of a physical system that arise from the dynamical balance between nonlinearity, dispersion and environmental energy exchange. They are the most universal form of soliton that can exist, and are seen in far-from-equilibrium systems in many fields, including chemistry, biology and physics. There has been particular interest in studying their properties in mode-locked lasers, but experiments have been limited by the inability to track the dynamical soliton evolution in real time. Here, we use simultaneous dispersive Fourier transform and time-lens measurements to completely characterize the spectral and temporal evolution of ultrashort dissipative solitons as their dynamics pass through a transient unstable regime with complex break-up and collisions before stabilization. Further insight is obtained from reconstruction of the soliton amplitude and phase and calculation of the corresponding complex-valued eigenvalue spectrum. These findings show how real-time measurements provide new insights into ultrafast transient dynamics in optics.

Transient aging in fractional Brownian and Langevin-equation motion.

PubMed

Kursawe, Jochen; Schulz, Johannes; Metzler, Ralf

2013-12-01

Stochastic processes driven by stationary fractional Gaussian noise, that is, fractional Brownian motion and fractional Langevin-equation motion, are usually considered to be ergodic in the sense that, after an algebraic relaxation, time and ensemble averages of physical observables coincide. Recently it was demonstrated that fractional Brownian motion and fractional Langevin-equation motion under external confinement are transiently nonergodic-time and ensemble averages behave differently-from the moment when the particle starts to sense the confinement. Here we show that these processes also exhibit transient aging, that is, physical observables such as the time-averaged mean-squared displacement depend on the time lag between the initiation of the system at time t=0 and the start of the measurement at the aging time t(a). In particular, it turns out that for fractional Langevin-equation motion the aging dependence on t(a) is different between the cases of free and confined motion. We obtain explicit analytical expressions for the aged moments of the particle position as well as the time-averaged mean-squared displacement and present a numerical analysis of this transient aging phenomenon.

Nonlinear dynamics of trions under strong optical excitation in monolayer MoSe2.

PubMed

Ye, Jialiang; Yan, Tengfei; Niu, Binghui; Li, Ying; Zhang, Xinhui

2018-02-05

By employing ultrafast transient reflection measurements based on two-color pump-probe spectroscopy, the population and valley polarization dynamics of trions in monolayer MoSe 2 were investigated at relatively high excitation densities under near-resonant excitation. Both the nonlinear dynamic photobleaching of the trion resonance and the redshift of the exciton resonance were found to be responsible for the excitation-energy- and density-dependent transient reflection change as a result of many-body interactions. Furthermore, from the polarization-resolved measurements, it was revealed that the initial fast population and polarization decay process upon strong photoexcitation observed for trions was determined by trion formation, transient phase-space filling and the short valley lifetime of excitons. The results provide a basic understanding of the nonlinear dynamics of population and valley depolarization of trions, as well as exciton-trion correlation in atomically thin MoSe 2 and other transition metal dichalcogenide materials.

Producing coherent excitations in pumped Mott antiferromagnetic insulators

NASA Astrophysics Data System (ADS)

Wang, Yao; Claassen, Martin; Moritz, B.; Devereaux, T. P.

2017-12-01

Nonequilibrium dynamics in correlated materials has attracted attention due to the possibility of characterizing, tuning, and creating complex ordered states. To understand the photoinduced microscopic dynamics, especially the linkage under realistic pump conditions between transient states and remnant elementary excitations, we performed nonperturbative simulations of various time-resolved spectroscopies. We used the Mott antiferromagnetic insulator as a model platform. The transient dynamics of multiparticle excitations can be attributed to the interplay between Floquet virtual states and a modification of the density of states, in which interactions induce a spectral weight transfer. Using an autocorrelation of the time-dependent spectral function, we show that resonance of the virtual states with the upper Hubbard band in the Mott insulator provides the route towards manipulating the electronic distribution and modifying charge and spin excitations. Our results link transient dynamics to the nature of many-body excitations and provide an opportunity to design nonequilibrium states of matter via tuned laser pulses.

How Does a Divided Population Respond to Change?

PubMed

Qubbaj, Murad R; Muneepeerakul, Rachata; Aggarwal, Rimjhim M; Anderies, John M

2015-01-01

Most studies on the response of socioeconomic systems to a sudden shift focus on long-term equilibria or end points. Such narrow focus forgoes many valuable insights. Here we examine the transient dynamics of regime shift on a divided population, exemplified by societies divided ideologically, politically, economically, or technologically. Replicator dynamics is used to investigate the complex transient dynamics of the population response. Though simple, our modeling approach exhibits a surprisingly rich and diverse array of dynamics. Our results highlight the critical roles played by diversity in strategies and the magnitude of the shift. Importantly, it allows for a variety of strategies to arise organically as an integral part of the transient dynamics--as opposed to an independent process--of population response to a regime shift, providing a link between the population's past and future diversity patterns. Several combinations of different populations' strategy distributions and shifts were systematically investigated. Such rich dynamics highlight the challenges of anticipating the response of a divided population to a change. The findings in this paper can potentially improve our understanding of a wide range of socio-ecological and technological transitions.

Molecular modelling of protein-protein/protein-solvent interactions

NASA Astrophysics Data System (ADS)

Luchko, Tyler

The inner workings of individual cells are based on intricate networks of protein-protein interactions. However, each of these individual protein interactions requires a complex physical interaction between proteins and their aqueous environment at the atomic scale. In this thesis, molecular dynamics simulations are used in three theoretical studies to gain insight at the atomic scale about protein hydration, protein structure and tubulin-tubulin (protein-protein) interactions, as found in microtubules. Also presented, in a fourth project, is a molecular model of solvation coupled with the Amber molecular modelling package, to facilitate further studies without the need of explicitly modelled water. Basic properties of a minimally solvated protein were calculated through an extended study of myoglobin hydration with explicit solvent, directly investigating water and protein polarization. Results indicate a close correlation between polarization of both water and protein and the onset of protein function. The methodology of explicit solvent molecular dynamics was further used to study tubulin and microtubules. Extensive conformational sampling of the carboxy-terminal tails of 8-tubulin was performed via replica exchange molecular dynamics, allowing the characterisation of the flexibility, secondary structure and binding domains of the C-terminal tails through statistical analysis methods. Mechanical properties of tubulin and microtubules were calculated with adaptive biasing force molecular dynamics. The function of the M-loop in microtubule stability was demonstrated in these simulations. The flexibility of this loop allowed constant contacts between the protofilaments to be maintained during simulations while the smooth deformation provided a spring-like restoring force. Additionally, calculating the free energy profile between the straight and bent tubulin configurations was used to test the proposed conformational change in tubulin, thought to cause microtubule destabilization. No conformational change was observed but a nucleotide dependent 'softening' of the interaction was found instead, suggesting that an entropic force in a microtubule configuration could be the mechanism of microtubule collapse. Finally, to overcome much of the computational costs associated with explicit soIvent calculations, a new combination of molecular dynamics with the 3D-reference interaction site model (3D-RISM) of solvation was integrated into the Amber molecular dynamics package. Our implementation of 3D-RISM shows excellent agreement with explicit solvent free energy calculations. Several optimisation techniques, including a new multiple time step method, provide a nearly 100 fold performance increase, giving similar computational performance to explicit solvent.

On the need of mode interpolation for data-driven Galerkin models of a transient flow around a sphere

NASA Astrophysics Data System (ADS)

Stankiewicz, Witold; Morzyński, Marek; Kotecki, Krzysztof; Noack, Bernd R.

2017-04-01

We present a low-dimensional Galerkin model with state-dependent modes capturing linear and nonlinear dynamics. Departure point is a direct numerical simulation of the three-dimensional incompressible flow around a sphere at Reynolds numbers 400. This solution starts near the unstable steady Navier-Stokes solution and converges to a periodic limit cycle. The investigated Galerkin models are based on the dynamic mode decomposition (DMD) and derive the dynamical system from first principles, the Navier-Stokes equations. A DMD model with training data from the initial linear transient fails to predict the limit cycle. Conversely, a model from limit-cycle data underpredicts the initial growth rate roughly by a factor 5. Key enablers for uniform accuracy throughout the transient are a continuous mode interpolation between both oscillatory fluctuations and the addition of a shift mode. This interpolated model is shown to capture both the transient growth of the oscillation and the limit cycle.

Floquet-Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

NASA Astrophysics Data System (ADS)

Kuwahara, Tomotaka; Mori, Takashi; Saito, Keiji

2016-04-01

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet-Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems.

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

Orange, N. Brice; Chesny, David L.; Oluseyi, Hakeem M.

Increasing evidence for coronal heating contributions from cooler solar atmospheric layers, notably quiet Sun (QS) conditions, challenges standard solar atmospheric descriptions of bright transition region (TR) emission. As such, questions about the role of dynamic QS transients in contributing to the total coronal energy budget are raised. Using observations from the Atmospheric Imaging Assembly and Heliosemic Magnetic Imager on board the Solar Dynamics Observatory, and numerical model extrapolations of coronal magnetic fields, we investigate a dynamic QS transient that is energetically isolated to the TR and extrudes from a common footpoint shared with two heated loop arcades. A non-causal relationshipmore » is established between episodic heating of the QS transient and widespread magnetic field re-organization events, while evidence is found favoring a magnetic topology that is typical of eruptive processes. Quasi-steady interchange reconnection events are implicated as a source of the transient’s visibly bright radiative signature. We consider the QS transient’s temporally stable (≈35 minutes) radiative nature to occur as a result of the large-scale magnetic field geometries of the QS and/or relatively quiet nature of the magnetic photosphere, which possibly act to inhibit energetic build-up processes that are required to initiate a catastrophic eruption phase. This work provides insight into the QS’s thermodynamic and magnetic relation to eruptive processes that quasi-steadily heat a small-scale dynamic and TR transient. This work explores arguments of non-negligible coronal heating contributions from cool atmospheric layers in QS conditions and contributes evidence to the notion that  solar wind mass feeds off of dynamic transients therein.« less

Using travel times to simulate multi-dimensional bioreactive transport in time-periodic flows.

PubMed

Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A

2016-04-01

In travel-time models, the spatially explicit description of reactive transport is replaced by associating reactive-species concentrations with the travel time or groundwater age at all locations. These models have been shown adequate for reactive transport in river-bank filtration under steady-state flow conditions. Dynamic hydrological conditions, however, can lead to fluctuations of infiltration velocities, putting the validity of travel-time models into question. In transient flow, the local travel-time distributions change with time. We show that a modified version of travel-time based reactive transport models is valid if only the magnitude of the velocity fluctuates, whereas its spatial orientation remains constant. We simulate nonlinear, one-dimensional, bioreactive transport involving oxygen, nitrate, dissolved organic carbon, aerobic and denitrifying bacteria, considering periodic fluctuations of velocity. These fluctuations make the bioreactive system pulsate: The aerobic zone decreases at times of low velocity and increases at those of high velocity. For the case of diurnal fluctuations, the biomass concentrations cannot follow the hydrological fluctuations and a transition zone containing both aerobic and obligatory denitrifying bacteria is established, whereas a clear separation of the two types of bacteria prevails in the case of seasonal velocity fluctuations. We map the 1-D results to a heterogeneous, two-dimensional domain by means of the mean groundwater age for steady-state flow in both domains. The mapped results are compared to simulation results of spatially explicit, two-dimensional, advective-dispersive-bioreactive transport subject to the same relative fluctuations of velocity as in the one-dimensional model. The agreement between the mapped 1-D and the explicit 2-D results is excellent. We conclude that travel-time models of nonlinear bioreactive transport are adequate in systems of time-periodic flow if the flow direction does not change. Copyright © 2016 Elsevier B.V. All rights reserved.

Stability of multifinger action in different state spaces

PubMed Central

Reschechtko, Sasha; Zatsiorsky, Vladimir M.

2014-01-01

We investigated stability of action by a multifinger system with three methods: analysis of intertrial variance, application of transient perturbations, and analysis of the system's motion in different state spaces. The “inverse piano” device was used to apply transient (lifting-and-lowering) perturbations to individual fingers during single- and two-finger accurate force production tasks. In each trial, the perturbation was applied either to a finger explicitly involved in the task or one that was not. We hypothesized that, in one-finger tasks, task-specific stability would be observed in the redundant space of finger forces but not in the nonredundant space of finger modes (commands to explicitly involved fingers). In two-finger tasks, we expected that perturbations applied to a nontask finger would not contribute to task-specific stability in mode space. In contrast to our expectations, analyses in both force and mode spaces showed lower stability in directions that did not change total force output compared with directions that did cause changes in total force. In addition, the transient perturbations led to a significant increase in the enslaving index. We consider these results within a theoretical scheme of control with referent body configurations organized hierarchically, using multiple few-to-many mappings organized in a synergic way. The observed volatility of enslaving, greater equifinality of total force compared with elemental variables, and large magnitude of motor equivalent motion in both force and mode spaces provide support for the concept of task-specific stability of performance and the existence of multiple neural loops, which ensure this stability. PMID:25253478

Stability of multifinger action in different state spaces.

PubMed

Reschechtko, Sasha; Zatsiorsky, Vladimir M; Latash, Mark L

2014-12-15

We investigated stability of action by a multifinger system with three methods: analysis of intertrial variance, application of transient perturbations, and analysis of the system's motion in different state spaces. The "inverse piano" device was used to apply transient (lifting-and-lowering) perturbations to individual fingers during single- and two-finger accurate force production tasks. In each trial, the perturbation was applied either to a finger explicitly involved in the task or one that was not. We hypothesized that, in one-finger tasks, task-specific stability would be observed in the redundant space of finger forces but not in the nonredundant space of finger modes (commands to explicitly involved fingers). In two-finger tasks, we expected that perturbations applied to a nontask finger would not contribute to task-specific stability in mode space. In contrast to our expectations, analyses in both force and mode spaces showed lower stability in directions that did not change total force output compared with directions that did cause changes in total force. In addition, the transient perturbations led to a significant increase in the enslaving index. We consider these results within a theoretical scheme of control with referent body configurations organized hierarchically, using multiple few-to-many mappings organized in a synergic way. The observed volatility of enslaving, greater equifinality of total force compared with elemental variables, and large magnitude of motor equivalent motion in both force and mode spaces provide support for the concept of task-specific stability of performance and the existence of multiple neural loops, which ensure this stability. Copyright © 2014 the American Physiological Society.

Probing excitons in transition metal dichalcogenides by Drude-like exciton intraband absorption.

PubMed

Zhao, Siqi; He, Dawei; He, Jiaqi; Zhang, Xinwu; Yi, Lixin; Wang, Yongsheng; Zhao, Hui

2018-05-24

Understanding excitonic dynamics in two-dimensional semiconducting transition metal dichalcogenides is important for developing their optoelectronic applications. Recently, transient absorption techniques based on resonant excitonic absorption have been used to study various aspects of excitonic dynamics in these materials. The transient absorption in such measurements originates from phase-space state filling, bandgap renormalization, or screening effects. Here we report a new method to probe excitonic dynamics based on exciton intraband absorption. In this Drude-like process, probe photons are absorbed by excitons in their intraband excitation to higher energy states, causing a transient absorption signal. Although the magnitude of the transient absorption is lower than that of the resonant techniques, the new method is less restrictive on the selection of probe wavelength, has a larger linear range, and can provide complementary information on photocarrier dynamics. Using the WS2 monolayer and bulk samples as examples, we show that the new method can probe exciton-exciton annihilation at high densities and reveal exciton formation processes. We also found that the exciton intraband absorption cross section of the WS2 monolayer is on the order of 10-18 cm2.

Model of THz Magnetization Dynamics.

PubMed

Bocklage, Lars

2016-03-09

Magnetization dynamics can be coherently controlled by THz laser excitation, which can be applied in ultrafast magnetization control and switching. Here, transient magnetization dynamics are calculated for excitation with THz magnetic field pulses. We use the ansatz of Smit and Beljers, to formulate dynamic properties of the magnetization via partial derivatives of the samples free energy density, and extend it to solve the Landau-Lifshitz-equation to obtain the THz transients of the magnetization. The model is used to determine the magnetization response to ultrafast multi- and single-cycle THz pulses. Control of the magnetization trajectory by utilizing the THz pulse shape and polarization is demonstrated.

Ultrafast relaxation dynamics of nitric oxide synthase studied by visible broadband transient absorption spectroscopy

NASA Astrophysics Data System (ADS)

Hung, Chih-Chang; Yabushita, Atsushi; Kobayashi, Takayoshi; Chen, Pei-Feng; Liang, Keng S.

2017-09-01

Ultrafast dynamics of endothelial nitric oxide synthase (eNOS) oxygenase domain was studied by transient absorption spectroscopy pumping at Soret band. The broadband visible probe spectrum has visualized the relaxation dynamics from the Soret band to Q-band and charge transfer (CT) band. Supported by two-dimensional correlation spectroscopy, global fitting analysis has successfully concluded the relaxation dynamics from the Soret band to be (1) electronic transition to Q-band (0.16 ps), (2) ligand dissociation and CT (0.94 ps), (3) relaxation of the CT state (4.0 ps), and (4) ligand rebinding (59 ps).

Achieving Rigorous Accelerated Conformational Sampling in Explicit Solvent.

PubMed

Doshi, Urmi; Hamelberg, Donald

2014-04-03

Molecular dynamics simulations can provide valuable atomistic insights into biomolecular function. However, the accuracy of molecular simulations on general-purpose computers depends on the time scale of the events of interest. Advanced simulation methods, such as accelerated molecular dynamics, have shown tremendous promise in sampling the conformational dynamics of biomolecules, where standard molecular dynamics simulations are nonergodic. Here we present a sampling method based on accelerated molecular dynamics in which rotatable dihedral angles and nonbonded interactions are boosted separately. This method (RaMD-db) is a different implementation of the dual-boost accelerated molecular dynamics, introduced earlier. The advantage is that this method speeds up sampling of the conformational space of biomolecules in explicit solvent, as the degrees of freedom most relevant for conformational transitions are accelerated. We tested RaMD-db on one of the most difficult sampling problems - protein folding. Starting from fully extended polypeptide chains, two fast folding α-helical proteins (Trpcage and the double mutant of C-terminal fragment of Villin headpiece) and a designed β-hairpin (Chignolin) were completely folded to their native structures in very short simulation time. Multiple folding/unfolding transitions could be observed in a single trajectory. Our results show that RaMD-db is a promisingly fast and efficient sampling method for conformational transitions in explicit solvent. RaMD-db thus opens new avenues for understanding biomolecular self-assembly and functional dynamics occurring on long time and length scales.

Transient dynamics of a flexible rotor with squeeze film dampers

NASA Technical Reports Server (NTRS)

Buono, D. F.; Schlitzer, L. D.; Hall, R. G., III; Hibner, D. H.

1978-01-01

A series of simulated blade loss tests are reported on a test rotor designed to operate above its second bending critical speed. A series of analyses were performed which predicted the transient behavior of the test rig for each of the blade loss tests. The scope of the program included the investigation of transient rotor dynamics of a flexible rotor system, similar to modern flexible jet engine rotors, both with and without squeeze film dampers. The results substantiate the effectiveness of squeeze film dampers and document the ability of available analytical methods to predict their effectiveness and behavior.

Preflight transient dynamic analyses of B-52 aircraft carrying Space Shuttle solid rocket booster drop-test vehicle

NASA Technical Reports Server (NTRS)

Ko, W. L.; Schuster, L. S.

1984-01-01

This paper concerns the transient dynamic analysis of the B-52 aircraft carrying the Space Shuttle solid rocket booster drop test vehicle (SRB/DTV). The NASA structural analysis (NASTRAN) finite element computer program was used in the analysis. The B-52 operating conditions considered for analysis were (1) landing and (2) braking on aborted takeoff runs. The transient loads for the B-52 pylon front and rear hooks were calculated. The results can be used to establish the safe maneuver envelopes for the B-52 carrying the SRB/DTV in landings and brakings.

New technique for simulation of optical fiber amplifiers control schemes in dynamic WDM systems

NASA Astrophysics Data System (ADS)

Freitas, Marcio; Klein, Jackson; Givigi, Sidney, Jr.; Calmon, Luiz C.

2005-04-01

One topic that has attracted attention is related to the behavior of the optical amplifiers under dynamic conditions, specifically because amplifiers working in a saturated condition produce power transients in all-optical reconfigurable WDM networks, e.g. adding/dropping channels. The goal of this work is to introduce the multiwavelength time-driven simulations technique, capable of simulation and analysis of transient effects in all-optical WDM networks with optical amplifiers, and allow the use of control schemes to avoid or minimize the impacts of transient effects in the system performance.

Pre-flight transient dynamic analysis of B-52 carrying Space Shuttle solid rocket booster drop-test vehicle

NASA Technical Reports Server (NTRS)

Ko, W. L.; Schuster, L. S.

1983-01-01

This paper concerns the transient dynamic analysis of the B-52 aircraft carrying the Space Shuttle solid-rocket booster drop-test vehicle (SRB/DTV). The NASA structural analysis (NASTRAN) finite-element computer program was used in the analysis. The B-52 operating conditions considered for analysis were (1) landing and (2) braking on aborted takeoff runs. The transient loads for the B-52 pylon front and rear hooks were calculated. The results can be used to establish the safe maneuver envelopes for the B-52 carrying the SRB/DTV in landings and brakings.

Nonlinear interaction between underwater explosion bubble and structure based on fully coupled model

NASA Astrophysics Data System (ADS)

Zhang, A. M.; Wu, W. B.; Liu, Y. L.; Wang, Q. X.

2017-08-01

The interaction between an underwater explosion bubble and an elastic-plastic structure is a complex transient process, accompanying violent bubble collapsing, jet impact, penetration through the bubble, and large structural deformation. In the present study, the bubble dynamics are modeled using the boundary element method and the nonlinear transient structural response is modeled using the explicit finite element method. A new fully coupled 3D model is established through coupling the equations for the state variables of the fluid and structure and solving them as a set of coupled linear algebra equations. Based on the acceleration potential theory, the mutual dependence between the hydrodynamic load and the structural motion is decoupled. The pressure distribution in the flow field is calculated with the Bernoulli equation, where the partial derivative of the velocity potential in time is calculated using the boundary integral method to avoid numerical instabilities. To validate the present fully coupled model, the experiments of small-scale underwater explosion near a stiffened plate are carried out. High-speed imaging is used to capture the bubble behaviors and strain gauges are used to measure the strain response. The numerical results correspond well with the experimental data, in terms of bubble shapes and structural strain response. By both the loosely coupled model and the fully coupled model, the interaction between a bubble and a hollow spherical shell is studied. The bubble patterns vary with different parameters. When the fully coupled model and the loosely coupled model are advanced with the same time step, the error caused by the loosely coupled model becomes larger with the coupling effect becoming stronger. The fully coupled model is more stable than the loosely coupled model. Besides, the influences of the internal fluid on the dynamic response of the spherical shell are studied. At last, the case that the bubble interacts with an air-backed stiffened plate is simulated. The associated interesting physical phenomenon is obtained and expounded.

Distinguishing transient signals and instrumental disturbances in semi-coherent searches for continuous gravitational waves with line-robust statistics

NASA Astrophysics Data System (ADS)

Keitel, David

2016-05-01

Non-axisymmetries in rotating neutron stars emit quasi-monochromatic gravitational waves. These long-duration ‘continuous wave’ signals are among the main search targets of ground-based interferometric detectors. However, standard detection methods are susceptible to false alarms from instrumental artefacts that resemble a continuous-wave signal. Past work [Keitel, Prix, Papa, Leaci and Siddiqi 2014, Phys. Rev. D 89 064023] showed that a Bayesian approach, based on an explicit model of persistent single-detector disturbances, improves robustness against such artefacts. Since many strong outliers in semi-coherent searches of LIGO data are caused by transient disturbances that last only a few hours or days, I describe in a recent paper [Keitel D 2015, LIGO-P1500159] how to extend this approach to cover transient disturbances, and demonstrate increased sensitivity in realistic simulated data. Additionally, neutron stars could emit transient signals which, for a limited time, also follow the continuous-wave signal model. As a pragmatic alternative to specialized transient searches, I demonstrate how to make standard semi-coherent continuous-wave searches more sensitive to transient signals. Focusing on the time-scale of a single segment in the semi-coherent search, Bayesian model selection yields a simple detection statistic without a significant increase in computational cost. This proceedings contribution gives a brief overview of both works.

Constant pH Molecular Dynamics of Proteins in Explicit Solvent with Proton Tautomerism

PubMed Central

Goh, Garrett B.; Hulbert, Benjamin S.; Zhou, Huiqing; Brooks, Charles L.

2015-01-01

pH is a ubiquitous regulator of biological activity, including protein-folding, protein-protein interactions and enzymatic activity. Existing constant pH molecular dynamics (CPHMD) models that were developed to address questions related to the pH-dependent properties of proteins are largely based on implicit solvent models. However, implicit solvent models are known to underestimate the desolvation energy of buried charged residues, increasing the error associated with predictions that involve internal ionizable residue that are important in processes like hydrogen transport and electron transfer. Furthermore, discrete water and ions cannot be modeled in implicit solvent, which are important in systems like membrane proteins and ion channels. We report on an explicit solvent constant pH molecular dynamics framework based on multi-site λ-dynamics (CPHMDMSλD). In the CPHMDMSλD framework, we performed seamless alchemical transitions between protonation and tautomeric states using multi-site λ-dynamics, and designed novel biasing potentials to ensure that the physical end-states are predominantly sampled. We show that explicit solvent CPHMDMSλD simulations model realistic pH-dependent properties of proteins such as the Hen-Egg White Lysozyme (HEWL), binding domain of 2-oxoglutarate dehydrogenase (BBL) and N-terminal domain of ribosomal L9 (NTL9), and the pKa predictions are in excellent agreement with experimental values, with a RMSE ranging from 0.72 to 0.84 pKa units. With the recent development of the explicit solvent CPHMDMSλD framework for nucleic acids, accurate modeling of pH-dependent properties of both major class of biomolecules – proteins and nucleic acids is now possible. PMID:24375620

Time-Dependent Parabolic Finite Difference Formulation for Harmonic Sound Propagation in a Two-Dimensional Duct with Flow

NASA Technical Reports Server (NTRS)

Kreider, Kevin L.; Baumeister, Kenneth J.

1996-01-01

An explicit finite difference real time iteration scheme is developed to study harmonic sound propagation in aircraft engine nacelles. To reduce storage requirements for future large 3D problems, the time dependent potential form of the acoustic wave equation is used. To insure that the finite difference scheme is both explicit and stable for a harmonic monochromatic sound field, a parabolic (in time) approximation is introduced to reduce the order of the governing equation. The analysis begins with a harmonic sound source radiating into a quiescent duct. This fully explicit iteration method then calculates stepwise in time to obtain the 'steady state' harmonic solutions of the acoustic field. For stability, applications of conventional impedance boundary conditions requires coupling to explicit hyperbolic difference equations at the boundary. The introduction of the time parameter eliminates the large matrix storage requirements normally associated with frequency domain solutions, and time marching attains the steady-state quickly enough to make the method favorable when compared to frequency domain methods. For validation, this transient-frequency domain method is applied to sound propagation in a 2D hard wall duct with plug flow.

Estimation of changes in dynamic hydraulic force in a magnetically suspended centrifugal blood pump with transient computational fluid dynamics analysis.

PubMed

Masuzawa, Toru; Ohta, Akiko; Tanaka, Nobuatu; Qian, Yi; Tsukiya, Tomonori

2009-01-01

The effect of the hydraulic force on magnetically levitated (maglev) pumps should be studied carefully to improve the suspension performance and the reliability of the pumps. A maglev centrifugal pump, developed at Ibaraki University, was modeled with 926 376 hexahedral elements for computational fluid dynamics (CFD) analyses. The pump has a fully open six-vane impeller with a diameter of 72.5 mm. A self-bearing motor suspends the impeller in the radial direction. The maximum pressure head and flow rate were 250 mmHg and 14 l/min, respectively. First, a steady-state analysis was performed using commercial code STAR-CD to confirm the model's suitability by comparing the results with the real pump performance. Second, transient analysis was performed to estimate the hydraulic force on the levitated impeller. The impeller was rotated in steps of 1 degrees using a sliding mesh. The force around the impeller was integrated at every step. The transient analysis revealed that the direction of the radial force changed dynamically as the vane's position changed relative to the outlet port during one circulation, and the magnitude of this force was about 1 N. The current maglev pump has sufficient performance to counteract this hydraulic force. Transient CFD analysis is not only useful for observing dynamic flow conditions in a centrifugal pump but is also effective for obtaining information about the levitation dynamics of a maglev pump.

Blade loss transient dynamics analysis, volume 2. Task 2: TETRA 2 user's manual

NASA Technical Reports Server (NTRS)

Black, Gerald; Gallardo, Vincente C.

1986-01-01

This is the user's manual for the TETRA 2 Computer Code, a program developed in the NASA-Lewis Blade Loss Program. TETRA 2 calculates a turbine engine's dynamic structural response from applied stimuli. The calculation options are: (1) transient response; and (2) steady state forced response. Based on the method of modal syntheses, the program allows the use of linear, as well as nonlinear connecting elements. Both transient and steady state options can include: flexible Bladed Disk Module, and Nonlinear Connecting Elements (including deadband, hardening/softening spring). The transient option has the additional capability to calculate response with a squeeze film bearing module. TETRA 2 output is summarized in a plotfile which permits post processing such as FFT or graphical animation with the proper software and computer equipment.

Computational plasticity algorithm for particle dynamics simulations

NASA Astrophysics Data System (ADS)

Krabbenhoft, K.; Lyamin, A. V.; Vignes, C.

2018-01-01

The problem of particle dynamics simulation is interpreted in the framework of computational plasticity leading to an algorithm which is mathematically indistinguishable from the common implicit scheme widely used in the finite element analysis of elastoplastic boundary value problems. This algorithm provides somewhat of a unification of two particle methods, the discrete element method and the contact dynamics method, which usually are thought of as being quite disparate. In particular, it is shown that the former appears as the special case where the time stepping is explicit while the use of implicit time stepping leads to the kind of schemes usually labelled contact dynamics methods. The framing of particle dynamics simulation within computational plasticity paves the way for new approaches similar (or identical) to those frequently employed in nonlinear finite element analysis. These include mixed implicit-explicit time stepping, dynamic relaxation and domain decomposition schemes.

Impact Testing of Composites for Aircraft Engine Fan Cases

NASA Technical Reports Server (NTRS)

Roberts, Gary D.; Revilock, Duane M.; Binienda, Wieslaw K.; Nie, Walter Z.; Mackenzie, S. Ben; Todd, Kevin B.

2001-01-01

Before composite materials can be considered for use in the fan case of a commercial jet engine, the performance of a composite structure under blade-out loads needs to be demonstrated. The objective of this program is to develop an efficient test and analysis method for evaluating potential composite case concepts. Ballistic impact tests were performed on laminated glass/epoxy composites in order to identify potential failure modes and to provide data for analysis. Flat 7x7 in. panels were impacted with cylindrical titanium projectiles, and 15 in. diameter half-rings were impacted with wedge-shaped titanium projectiles. Composite failure involved local fiber fracture as well as tearing and delamination on a larger scale. A 36 in. diameter full-ring subcomponent was proposed for larger scale testing. Explicit, transient, finite element analyses were used to evaluate impact dynamics and subsequent global deformation for the proposed full-ring subcomponent test. Analyses on half-ring and quarter ring configurations indicated that less expensive smaller scale tests could be used to screen potential composite concepts when evaluation of local impact damage is the primary concern.

Cooperative Activated Transport of Dilute Penetrants in Viscous Molecular and Polymer Liquids

NASA Astrophysics Data System (ADS)

Schweizer, Kenneth; Zhang, Rui

We generalize the force-level Elastically Collective Nonlinear Langevin Equation theory of activated relaxation in one-component supercooled liquids to treat the hopping transport of a dilute penetrant in a dense hard sphere fluid. The new idea is to explicitly account for the coupling between penetrant displacement and a local matrix cage re-arrangement which facilitates its hopping. A temporal casuality condition is employed to self-consistently determine a dimensionless degree of matrix distortion relative to the penetrant jump distance using the dynamic free energy concept. Penetrant diffusion becomes increasingly coupled to the correlated matrix displacements for larger penetrant to matrix particle size ratio (R) and/or attraction strength (physical bonds), but depends weakly on matrix packing fraction. In the absence of attractions, a nearly exponential dependence of penetrant diffusivity on R is predicted in the intermediate range of 0.2

A three dimensional immersed smoothed finite element method (3D IS-FEM) for fluid-structure interaction problems

NASA Astrophysics Data System (ADS)

Zhang, Zhi-Qian; Liu, G. R.; Khoo, Boo Cheong

2013-02-01

A three-dimensional immersed smoothed finite element method (3D IS-FEM) using four-node tetrahedral element is proposed to solve 3D fluid-structure interaction (FSI) problems. The 3D IS-FEM is able to determine accurately the physical deformation of the nonlinear solids placed within the incompressible viscous fluid governed by Navier-Stokes equations. The method employs the semi-implicit characteristic-based split scheme to solve the fluid flows and smoothed finite element methods to calculate the transient dynamics responses of the nonlinear solids based on explicit time integration. To impose the FSI conditions, a novel, effective and sufficiently general technique via simple linear interpolation is presented based on Lagrangian fictitious fluid meshes coinciding with the moving and deforming solid meshes. In the comparisons to the referenced works including experiments, it is clear that the proposed 3D IS-FEM ensures stability of the scheme with the second order spatial convergence property; and the IS-FEM is fairly independent of a wide range of mesh size ratio.

Role of Multiple Soliton Interactions in the Generation of Rogue Waves: The Modified Korteweg-de Vries Framework.

PubMed

Slunyaev, A V; Pelinovsky, E N

2016-11-18

The role of multiple soliton and breather interactions in the formation of very high waves is disclosed within the framework of the integrable modified Korteweg-de Vries (MKdV) equation. Optimal conditions for the focusing of many solitons are formulated explicitly. Namely, trains of ordered solitons with alternate polarities evolve to huge strongly localized transient waves. The focused wave amplitude is exactly the sum of the focusing soliton heights; the maximum wave inherits the polarity of the fastest soliton in the train. The focusing of several solitary waves or/and breathers may naturally occur in a soliton gas and will lead to rogue-wave-type dynamics; hence, it represents a new nonlinear mechanism of rogue wave generation. The discovered scenario depends crucially on the soliton polarities (phases), and is not taken into account by existing kinetic theories. The performance of the soliton mechanism of rogue wave generation is shown for the example of the focusing MKdV equation, when solitons possess "frozen" phases (certain polarities), though the approach is efficient in some other integrable systems which admit soliton and breather solutions.

Chemical-Specific Representation of Air-Soil Exchange and Soil Penetration in Regional Multimedia Models

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

McKone, T.E.; Bennett, D.H.

2002-08-01

In multimedia mass-balance models, the soil compartment is an important sink as well as a conduit for transfers to vegetation and shallow groundwater. Here a novel approach for constructing soil transport algorithms for multimedia fate models is developed and evaluated. The resulting algorithms account for diffusion in gas and liquid components; advection in gas, liquid, or solid phases; and multiple transformation processes. They also provide an explicit quantification of the characteristic soil penetration depth. We construct a compartment model using three and four soil layers to replicate with high reliability the flux and mass distribution obtained from the exact analyticalmore » solution describing the transient dispersion, advection, and transformation of chemicals in soil with fixed properties and boundary conditions. Unlike the analytical solution, which requires fixed boundary conditions, the soil compartment algorithms can be dynamically linked to other compartments (air, vegetation, ground water, surface water) in multimedia fate models. We demonstrate and evaluate the performance of the algorithms in a model with applications to benzene, benzo(a)pyrene, MTBE, TCDD, and tritium.« less

CAVE3: A general transient heat transfer computer code utilizing eigenvectors and eigenvalues

NASA Technical Reports Server (NTRS)

Palmieri, J. V.; Rathjen, K. A.

1978-01-01

The method of solution is a hybrid analytical numerical technique which utilizes eigenvalues and eigenvectors. The method is inherently stable, permitting large time steps even with the best of conductors with the finest of mesh sizes which can provide a factor of five reduction in machine time compared to conventional explicit finite difference methods when structures with small time constants are analyzed over long time periods. This code will find utility in analyzing hypersonic missile and aircraft structures which fall naturally into this class. The code is a completely general one in that problems involving any geometry, boundary conditions and materials can be analyzed. This is made possible by requiring the user to establish the thermal network conductances between nodes. Dynamic storage allocation is used to minimize core storage requirements. This report is primarily a user's manual for CAVE3 code. Input and output formats are presented and explained. Sample problems are included which illustrate the usage of the code as well as establish the validity and accuracy of the method.

Test-Analysis Correlation of a Crash Simulation of a Vertical Drop Test of a Commuter-Category Aircraft

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.

2004-01-01

A finite element model of an ATR42-300 commuter-class aircraft was developed and a crash simulation was executed. Analytical predictions were correlated with data obtained from a 30-feet per second (9.14-meters per second) vertical drop test of the aircraft. The purpose of the test was to evaluate the structural response of the aircraft when subjected to a severe, but survivable, impact. The aircraft was configured with seats, dummies, luggage, and other ballast. The wings were filled with 8,700 lb. (3,946 kilograms) of water to represent the fuel. The finite element model, which consisted of 57,643 nodes and 62,979 elements, was developed from direct measurements of the airframe geometry. The seats, dummies, luggage, simulated engines and fuel, and other ballast were represented using concentrated masses. The model was executed in LS-DYNA, a commercial finite element code for performing explicit transient dynamic simulations. Analytical predictions of structural deformation and selected time-history responses were correlated with experimental data from the drop test to validate the simulation.

Role of Multiple Soliton Interactions in the Generation of Rogue Waves: The Modified Korteweg-de Vries Framework

NASA Astrophysics Data System (ADS)

Slunyaev, A. V.; Pelinovsky, E. N.

2016-11-01

The role of multiple soliton and breather interactions in the formation of very high waves is disclosed within the framework of the integrable modified Korteweg-de Vries (MKdV) equation. Optimal conditions for the focusing of many solitons are formulated explicitly. Namely, trains of ordered solitons with alternate polarities evolve to huge strongly localized transient waves. The focused wave amplitude is exactly the sum of the focusing soliton heights; the maximum wave inherits the polarity of the fastest soliton in the train. The focusing of several solitary waves or/and breathers may naturally occur in a soliton gas and will lead to rogue-wave-type dynamics; hence, it represents a new nonlinear mechanism of rogue wave generation. The discovered scenario depends crucially on the soliton polarities (phases), and is not taken into account by existing kinetic theories. The performance of the soliton mechanism of rogue wave generation is shown for the example of the focusing MKdV equation, when solitons possess "frozen" phases (certain polarities), though the approach is efficient in some other integrable systems which admit soliton and breather solutions.

Real-time multi-channel stimulus artifact suppression by local curve fitting.

PubMed

Wagenaar, Daniel A; Potter, Steve M

2002-10-30

We describe an algorithm for suppression of stimulation artifacts in extracellular micro-electrode array (MEA) recordings. A model of the artifact based on locally fitted cubic polynomials is subtracted from the recording, yielding a flat baseline amenable to spike detection by voltage thresholding. The algorithm, SALPA, reduces the period after stimulation during which action potentials cannot be detected by an order of magnitude, to less than 2 ms. Our implementation is fast enough to process 60-channel data sampled at 25 kHz in real-time on an inexpensive desktop PC. It performs well on a wide range of artifact shapes without re-tuning any parameters, because it accounts for amplifier saturation explicitly and uses a statistic to verify successful artifact suppression immediately after the amplifiers become operational. We demonstrate the algorithm's effectiveness on recordings from dense monolayer cultures of cortical neurons obtained from rat embryos. SALPA opens up a previously inaccessible window for studying transient neural oscillations and precisely timed dynamics in short-latency responses to electric stimulation. Copyright 2002 Elsevier Science B.V.

Stochastic effects in a thermochemical system with Newtonian heat exchange.

PubMed

Nowakowski, B; Lemarchand, A

2001-12-01

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

A solid reactor core thermal model for nuclear thermal rockets

NASA Astrophysics Data System (ADS)

Rider, William J.; Cappiello, Michael W.; Liles, Dennis R.

1991-01-01

A Helium/Hydrogen Cooled Reactor Analysis (HERA) computer code has been developed. HERA has the ability to model arbitrary geometries in three dimensions, which allows the user to easily analyze reactor cores constructed of prismatic graphite elements. The code accounts for heat generation in the fuel, control rods, and other structures; conduction and radiation across gaps; convection to the coolant; and a variety of boundary conditions. The numerical solution scheme has been optimized for vector computers, making long transient analyses economical. Time integration is either explicit or implicit, which allows the use of the model to accurately calculate both short- or long-term transients with an efficient use of computer time. Both the basic spatial and temporal integration schemes have been benchmarked against analytical solutions.

Tuning critical failure with viscoelasticity: How aftershocks inhibit criticality in an analytical mean field model of fracture.

NASA Astrophysics Data System (ADS)

Baro Urbea, J.; Davidsen, J.

2017-12-01

The hypothesis of critical failure relates the presence of an ultimate stability point in the structural constitutive equation of materials to a divergence of characteristic scales in the microscopic dynamics responsible of deformation. Avalanche models involving critical failure have determined universality classes in different systems: from slip events in crystalline and amorphous materials to the jamming of granular media or the fracture of brittle materials. However, not all empirical failure processes exhibit the trademarks of critical failure. As an example, the statistical properties of ultrasonic acoustic events recorded during the failure of porous brittle materials are stationary, except for variations in the activity rate that can be interpreted in terms of aftershock and foreshock activity (J. Baró et al., PRL 2013).The rheological properties of materials introduce dissipation, usually reproduced in atomistic models as a hardening of the coarse-grained elements of the system. If the hardening is associated to a relaxation process the same mechanism is able to generate temporal correlations. We report the analytic solution of a mean field fracture model exemplifying how criticality and temporal correlations are tuned by transient hardening. We provide a physical meaning to the conceptual model by deriving the constitutive equation from the explicit representation of the transient hardening in terms of a generalized viscoelasticity model. The rate of 'aftershocks' is controlled by the temporal evolution of the viscoelastic creep. At the quasistatic limit, the moment release is invariant to rheology. Therefore, the lack of criticality is explained by the increase of the activity rate close to failure, i.e. 'foreshocks'. Finally, the avalanche propagation can be reinterpreted as a pure mathematical problem in terms of a stochastic counting process. The statistical properties depend only on the distance to a critical point, which is universal for any parametrization of the transient hardening and a whole category of fracture models.

Fish Passage though Hydropower Turbines: Simulating Blade Strike using the Discrete Element Method

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

Richmond, Marshall C.; Romero Gomez, Pedro DJ

mong the hazardous hydraulic conditions affecting anadromous and resident fish during their passage though turbine flows, two are believed to cause considerable injury and mortality: collision on moving blades and decompression. Several methods are currently available to evaluate these stressors in installed turbines, i.e. using live fish or autonomous sensor devices, and in reduced-scale physical models, i.e. registering collisions from plastic beads. However, a priori estimates with computational modeling approaches applied early in the process of turbine design can facilitate the development of fish-friendly turbines. In the present study, we evaluated the frequency of blade strike and nadir pressure environmentmore » by modeling potential fish trajectories with the Discrete Element Method (DEM) applied to fish-like composite particles. In the DEM approach, particles are subjected to realistic hydraulic conditions simulated with computational fluid dynamics (CFD), and particle-structure interactions—representing fish collisions with turbine blades—are explicitly recorded and accounted for in the calculation of particle trajectories. We conducted transient CFD simulations by setting the runner in motion and allowing for better turbulence resolution, a modeling improvement over the conventional practice of simulating the system in steady state which was also done here. While both schemes yielded comparable bulk hydraulic performance, transient conditions exhibited a visual improvement in describing flow variability. We released streamtraces (steady flow solution) and DEM particles (transient solution) at the same location from where sensor fish (SF) have been released in field studies of the modeled turbine unit. The streamtrace-based results showed a better agreement with SF data than the DEM-based nadir pressures did because the former accounted for the turbulent dispersion at the intake but the latter did not. However, the DEM-based strike frequency is more representative of blade-strike probability than the steady solution is, mainly because DEM particles accounted for the full fish length, thus resolving (instead of modeling) the collision event.« less

How Does a Divided Population Respond to Change?

PubMed Central

Qubbaj, Murad R.; Muneepeerakul, Rachata; Aggarwal, Rimjhim M.; Anderies, John M.

2015-01-01

Most studies on the response of socioeconomic systems to a sudden shift focus on long-term equilibria or end points. Such narrow focus forgoes many valuable insights. Here we examine the transient dynamics of regime shift on a divided population, exemplified by societies divided ideologically, politically, economically, or technologically. Replicator dynamics is used to investigate the complex transient dynamics of the population response. Though simple, our modeling approach exhibits a surprisingly rich and diverse array of dynamics. Our results highlight the critical roles played by diversity in strategies and the magnitude of the shift. Importantly, it allows for a variety of strategies to arise organically as an integral part of the transient dynamics—as opposed to an independent process—of population response to a regime shift, providing a link between the population's past and future diversity patterns. Several combinations of different populations' strategy distributions and shifts were systematically investigated. Such rich dynamics highlight the challenges of anticipating the response of a divided population to a change. The findings in this paper can potentially improve our understanding of a wide range of socio-ecological and technological transitions. PMID:26161859

Simulating vegetation dynamics in Chile from 21ka BP to present: Effects of climate change on vegetation functions and cover

NASA Astrophysics Data System (ADS)

Werner, Christian; Liakka, Johan; Schmid, Manuel; Fuentes, Juan-Pablo; Ehlers, Todd A.; Hickler, Thomas

2017-04-01

Vegetation composition and establishment is strongly dependent on climate conditions but also a result of vegetation dynamics (competition for light, water and nutrients). In addition, vegetation exerts control over the development of landscapes as it mediates the climatic and hydrological forces shaping the terrain via hillslope and fluvial processes. At the same time, topography as well as soil texture and soil depth affect the microclimate, soil water storage and rooting space that is defining the environmental envelope for vegetation development. Within the EarthShape research program (www.earthshape.net) we evaluate these interactions by simulating the co-evolution of landscape and vegetation with a dynamic vegetation model (LPJ-GUESS) and a landscape evolution model (LandLab). LPJ-GUESS is a mechanistic model driven by daily or monthly weather data and explicitly simulates vegetation physiology, succession, competition and water and nutrient cycling. Here we present the results of first transient vegetation simulations from 21kyr BP to present-day using the TraCE-21ka climate dataset for four focus sites along the coastal cordillera of Chile that are exposed to a substantial meridional climate gradient (ranging from hyper-arid to humid-temperate conditions). We show that the warming occurring in the region from LGM to present, in addition to the increase of atmospheric CO2 concentrations, led to a shift in vegetation composition and surface cover. Future work will show how these changes resonate in the dynamics of hillslope and fluvial erosion and ultimately bi-directional feedback mechanisms of vegetation development and landscape evolution/ soil formation (see also companion presentation by Schmid et al., this session).

Modeling deformation behavior of the baseball.

PubMed

Nicholls, Rochelle Llewelyn; Miller, Karol; Elliott, Bruce C

2005-02-01

Regulating ball response to impact is one way to control ball exit velocity in baseball. This is necessary to reduce injuries to defensive players and maintain the balance between offense and defense in the game. This paper presents a model for baseball velocity-dependent behavior. Force-displacement data were obtained using quasi-static compression tests to 50% of ball diameter (n = 70 baseballs). The force-displacement curves for a very stiff baseball (Model B) and a softer type (Model C) were characterized by a Mooney-Rivlin model using implicit finite element analysis (ANSYS software, version 6.1). Agreement between experimental and numerical results was excellent for both Model B (C(10) = 0, C(01) = 3.7e(6) Pa) and Model C (C(10) = 0, C(01) = 2.6e(6) Pa). However, this material model was not available in the ANSYS/LSDYNA explicit dynamic software (version 6.1) used to quantify the transient behavior of the ball. Therefore the modeling process was begun again using a linear viscoelastic material. G(infinity), the long-term shear modulus of the material, was determined by the same implicit FEA procedure. Explicit FEA was used to quantify the time-dependent response of each ball in terms of instantaneous shear modulus (G0) and a decay term (beta). The results were evaluated with respect to published experimental data for the ball coefficient of restitution at five velocities (13.4-40.2 ms(-1)) and were in agreement with the experimental values. The model forms the basis for future research on baseball response to impact with the bat.

Dynamic and Transient Performance of Turbofan/Turboshaft Convertible Engine With Variable Inlet Guide Vanes

NASA Technical Reports Server (NTRS)

McArdle, Jack G.; Barth, Richard L.; Wenzel, Leon M.; Biesiadny, Thomas J.

1996-01-01

A convertible engine called the CEST TF34, using the variable inlet guide vane method of power change, was tested on an outdoor stand at the NASA Lewis Research Center with a waterbrake dynamometer for the shaft load. A new digital electronic system, in conjunction with a modified standard TF34 hydromechanical fuel control, kept engine operation stable and safely within limits. All planned testing was completed successfully. Steady-state performance and acoustic characteristics were reported previously and are referenced. This report presents results of transient and dynamic tests. The transient tests measured engine response to several rapid changes in thrust and torque commands at constant fan (shaft) speed. Limited results from dynamic tests using the pseudorandom binary noise technique are also presented. Performance of the waterbrake dynamometer is discussed in an appendix.

A decentralised multi-agent approach to enhance the stability of smart microgrids with renewable energy

NASA Astrophysics Data System (ADS)

Rahman, M. S.; Pota, H. R.; Mahmud, M. A.; Hossain, M. J.

2016-05-01

This paper presents the impact of large penetration of wind power on the transient stability through a dynamic evaluation of the critical clearing times (CCTs) by using intelligent agent-based approach. A decentralised multi-agent-based framework is developed, where agents represent a number of physical device models to form a complex infrastructure for computation and communication. They enable the dynamic flow of information and energy for the interaction between the physical processes and their activities. These agents dynamically adapt online measurements and use the CCT information for relay coordination to improve the transient stability of power systems. Simulations are carried out on a smart microgrid system for faults at increasing wind power penetration levels and the improvement in transient stability using the proposed agent-based framework is demonstrated.

Transient chaos in the Lorenz-type map with periodic forcing.

PubMed

Maslennikov, Oleg V; Nekorkin, Vladimir I; Kurths, Jürgen

2018-03-01

We consider a case study of perturbing a system with a boundary crisis of a chaotic attractor by periodic forcing. In the static case, the system exhibits persistent chaos below the critical value of the control parameter but transient chaos above the critical value. We discuss what happens to the system and particularly to the transient chaotic dynamics if the control parameter periodically oscillates. We find a non-exponential decaying behavior of the survival probability function, study the impact of the forcing frequency and amplitude on the escape rate, analyze the phase-space image of the observed dynamics, and investigate the influence of initial conditions.

Transient chaos in the Lorenz-type map with periodic forcing

NASA Astrophysics Data System (ADS)

Maslennikov, Oleg V.; Nekorkin, Vladimir I.; Kurths, Jürgen

2018-03-01

We consider a case study of perturbing a system with a boundary crisis of a chaotic attractor by periodic forcing. In the static case, the system exhibits persistent chaos below the critical value of the control parameter but transient chaos above the critical value. We discuss what happens to the system and particularly to the transient chaotic dynamics if the control parameter periodically oscillates. We find a non-exponential decaying behavior of the survival probability function, study the impact of the forcing frequency and amplitude on the escape rate, analyze the phase-space image of the observed dynamics, and investigate the influence of initial conditions.

Femtosecond transient absorption dynamics of close-packed gold nanocrystal monolayer arrays*1

NASA Astrophysics Data System (ADS)

Eah, Sang-Kee; Jaeger, Heinrich M.; Scherer, Norbert F.; Lin, Xiao-Min; Wiederrecht, Gary P.

2004-03-01

Femtosecond transient absorption spectroscopy is used to investigate hot electron dynamics of close-packed 6 nm gold nanocrystal monolayers. Morphology changes of the monolayer caused by the laser pump pulse are monitored by transmission electron microscopy. At low pump power, the monolayer maintains its structural integrity. Hot electrons induced by the pump pulse decay through electron-phonon (e-ph) coupling inside the nanocrystals with a decay constant that is similar to the value for bulk films. At high pump power, irreversible particle aggregation and sintering occur in the nanocrystal monolayer, which cause damping and peak shifting of the transient bleach signal.

Reaction-based small-molecule fluorescent probes for dynamic detection of ROS and transient redox changes in living cells and small animals.

PubMed

Lü, Rui

2017-09-01

Dynamic detection of transient redox changes in living cells and animals has broad implications for human health and disease diagnosis, because intracellular redox homeostasis regulated by reactive oxygen species (ROS) plays important role in cell functions, normal physiological functions and some serious human diseases (e.g., cancer, Alzheimer's disease, diabetes, etc.) usually have close relationship with the intracellular redox status. Small-molecule ROS-responsive fluorescent probes can act as powerful tools for dynamic detection of ROS and redox changes in living cells and animals through fluorescence imaging techniques; and great advances have been achieved recently in the design and synthesis of small-molecule ROS-responsive fluorescent probes. This article highlights up-to-date achievements in designing and using the reaction-based small-molecule fluorescent probes (with high sensitivity and selectivity to ROS and redox cycles) in the dynamic detection of ROS and transient redox changes in living cells and animals through fluorescence imaging. Copyright © 2017. Published by Elsevier Ltd.

Amplification without instability: applying fluid dynamical insights in chemistry and biology

NASA Astrophysics Data System (ADS)

McCoy, Jonathan H.

2013-11-01

While amplification of small perturbations often arises from instability, transient amplification is possible locally even in asymptotically stable systems. That is, knowledge of a system's stability properties can mislead one's intuition for its transient behaviors. This insight, which has an interesting history in fluid dynamics, has more recently been rediscovered in ecology. Surprisingly, many nonlinear fluid dynamical and ecological systems share linear features associated with transient amplification of noise. This paper aims to establish that these features are widespread in many other disciplines concerned with noisy systems, especially chemistry, cell biology and molecular biology. Here, using classic nonlinear systems and the graphical language of network science, we explore how the noise amplification problem can be reframed in terms of activatory and inhibitory interactions between dynamical variables. The interaction patterns considered here are found in a great variety of systems, ranging from autocatalytic reactions and activator-inhibitor systems to influential models of nerve conduction, glycolysis, cell signaling and circadian rhythms.

Programed dynamical ordering in self-organization processes of a nanocube: a molecular dynamics study.

PubMed

Harada, Ryuhei; Mashiko, Takako; Tachikawa, Masanori; Hiraoka, Shuichi; Shigeta, Yasuteru

2018-04-04

Self-organization processes of a gear-shaped amphiphile molecule (1) to form a hexameric structure (nanocube, 16) were inferred from sequential dissociation processes by using molecular dynamics (MD) simulations. Our MD study unveiled that programed dynamic ordering exists in the dissociation processes of 16. According to the dissociation processes, it is proposed that triple π-stacking among three 3-pyridyl groups and other weak molecular interactions such as CH-π and van der Waals interactions, some of which arise from the solvophobic effect, were sequentially formed in stable and transient oligomeric states in the self-organization processes, i.e.12, 13, 14, and 15. By subsequent analyses on structural stabilities, it was found that 13 and 14 are stable intermediate oligomers, whereas 12 and 15 are transient ones. Thus, the formation of 13 from three monomers and of 16 from 14 and two monomers via corresponding transients is time consuming in the self-assembly process.

Producing coherent excitations in pumped Mott antiferromagnetic insulators

DOE PAGES

Wang, Yao; Claassen, Martin; Moritz, B.; ...

2017-12-15

Nonequilibrium dynamics in correlated materials has attracted attention due to the possibility of characterizing, tuning, and creating complex ordered states. To understand the photoinduced microscopic dynamics, especially the linkage under realistic pump conditions between transient states and remnant elementary excitations, we performed nonperturbative simulations of various time-resolved spectroscopies. We used the Mott antiferromagnetic insulator as a model platform. The transient dynamics of multi-particle excitations can be attributed to the interplay between Floquet virtual states and a modification of the density of states, in which interactions induce a spectral weight transfer. Using an autocorrelation of the time-dependent spectral function, we showmore » that resonance of the virtual states with the upper Hubbard band in the Mott insulator provides the route towards manipulating the electronic distribution and modifying charge and spin excitations. In conclusion, our results link transient dynamics to the nature of many-body excitations and provide an opportunity to design nonequilibrium states of matter via tuned laser pulses.« less

Evaluation of the eigenvalue method in the solution of transient heat conduction problems

NASA Astrophysics Data System (ADS)

Landry, D. W.

1985-01-01

The eigenvalue method is evaluated to determine the advantages and disadvantages of the method as compared to fully explicit, fully implicit, and Crank-Nicolson methods. Time comparisons and accuracy comparisons are made in an effort to rank the eigenvalue method in relation to the comparison schemes. The eigenvalue method is used to solve the parabolic heat equation in multidimensions with transient temperatures. Extensions into three dimensions are made to determine the method's feasibility in handling large geometry problems requiring great numbers of internal mesh points. The eigenvalue method proves to be slightly better in accuracy than the comparison routines because of an exact treatment, as opposed to a numerical approximation, of the time derivative in the heat equation. It has the potential of being a very powerful routine in solving long transient type problems. The method is not well suited to finely meshed grid arrays or large regions because of the time and memory requirements necessary for calculating large sets of eigenvalues and eigenvectors.

An Investigation of the Ability to Recover from Transients Following Failures for Single-Pilot Rotorcraft

NASA Technical Reports Server (NTRS)

Mansur, M. Hossein; Schroeder, Jeffery A.

1988-01-01

A moving-base simulation was conducted to investigate a pilot's ability to recover from transients following single-axis hard-over failures of the flight-control system. The investigation was performed in conjunction with a host simulation that examined the influence of control modes on a single pilot's ability to perform various mission elements under high-workload conditions. The NASA Ames large-amplitude-motion Vertical Motion Simulator (VMS) was utilized, and the experimental variables were the failure axis, the severity of the failure, and the airspeed at which the failure occurred. Other factors, such as pilot workload and terrain and obstacle proximity at the time of failure, were kept as constant as possible within the framework of the host simulation task scenarios. No explicit failure warnings were presented to the pilot. Data from the experiment are shown, and pilot ratings are compared with the proposed handling-qualities requirements for military rotorcraft. Results indicate that the current proposed failure transient requirements may need revision.

A triangular prism solid and shell interactive mapping element for electromagnetic sheet metal forming process

NASA Astrophysics Data System (ADS)

Cui, Xiangyang; Li, She; Feng, Hui; Li, Guangyao

2017-05-01

In this paper, a novel triangular prism solid and shell interactive mapping element is proposed to solve the coupled magnetic-mechanical formulation in electromagnetic sheet metal forming process. A linear six-node "Triprism" element is firstly proposed for transient eddy current analysis in electromagnetic field. In present "Triprism" element, shape functions are given explicitly, and a cell-wise gradient smoothing operation is used to obtain the gradient matrices without evaluating derivatives of shape functions. In mechanical field analysis, a shear locking free triangular shell element is employed in internal force computation, and a data mapping method is developed to transfer the Lorentz force on solid into the external forces suffered by shell structure for dynamic elasto-plasticity deformation analysis. Based on the deformed triangular shell structure, a "Triprism" element generation rule is established for updated electromagnetic analysis, which means inter-transformation of meshes between the coupled fields can be performed automatically. In addition, the dynamic moving mesh is adopted for air mesh updating based on the deformation of sheet metal. A benchmark problem is carried out for confirming the accuracy of the proposed "Triprism" element in predicting flux density in electromagnetic field. Solutions of several EMF problems obtained by present work are compared with experiment results and those of traditional method, which are showing excellent performances of present interactive mapping element.

Regional business cycle synchronization through expectations

NASA Astrophysics Data System (ADS)

Onozaki, Tamotsu; Yanagita, Tatsuo; Kaizoji, Taisei; Toyabe, Kazutaka

2007-09-01

This paper provides an example in which regional business cycles may synchronize via producers’ expectations, even though there is no interregional trade, by means of a system of globally coupled, noninvertible maps. We concentrate on the dependence of the dynamics on a parameter η which denotes the inverse of price elasticity of demand. Simulation results show that several phases (the short transient, the complete asynchronous, the long transient and the intermediate transient) appear one after another as η increases. In the long transient phase, the intermittent clustering process with a long chaotic transient appears repeatedly.

Impact of transient soil water simulation to estimated nitrogen leaching and emission at high- and low-deposition forest sites in southern California

Treesearch

Yuan Yuan; Thomas Meixner; Mark E. Fenn; Jirka Simunek

2011-01-01

Soil water dynamics and drainage are key abiotic factors controlling losses of atmospherically deposited N in Southern California. In this paper soil N leaching and trace gaseous emissions simulated by the DAYCENT biogeochemical model using its original semi‐dynamic water flow module were compared to that coupled with a finite element transient water flow...

Phase-amplitude reduction of transient dynamics far from attractors for limit-cycling systems

NASA Astrophysics Data System (ADS)

Shirasaka, Sho; Kurebayashi, Wataru; Nakao, Hiroya

2017-02-01

Phase reduction framework for limit-cycling systems based on isochrons has been used as a powerful tool for analyzing the rhythmic phenomena. Recently, the notion of isostables, which complements the isochrons by characterizing amplitudes of the system state, i.e., deviations from the limit-cycle attractor, has been introduced to describe the transient dynamics around the limit cycle [Wilson and Moehlis, Phys. Rev. E 94, 052213 (2016)]. In this study, we introduce a framework for a reduced phase-amplitude description of transient dynamics of stable limit-cycling systems. In contrast to the preceding study, the isostables are treated in a fully consistent way with the Koopman operator analysis, which enables us to avoid discontinuities of the isostables and to apply the framework to system states far from the limit cycle. We also propose a new, convenient bi-orthogonalization method to obtain the response functions of the amplitudes, which can be interpreted as an extension of the adjoint covariant Lyapunov vector to transient dynamics in limit-cycling systems. We illustrate the utility of the proposed reduction framework by estimating the optimal injection timing of external input that efficiently suppresses deviations of the system state from the limit cycle in a model of a biochemical oscillator.

Understanding transient uncoupling induced synchronization through modified dynamic coupling

NASA Astrophysics Data System (ADS)

Ghosh, Anupam; Godara, Prakhar; Chakraborty, Sagar

2018-05-01

An important aspect of the recently introduced transient uncoupling scheme is that it induces synchronization for large values of coupling strength at which the coupled chaotic systems resist synchronization when continuously coupled. However, why this is so is an open problem? To answer this question, we recall the conventional wisdom that the eigenvalues of the Jacobian of the transverse dynamics measure whether a trajectory at a phase point is locally contracting or diverging with respect to another nearby trajectory. Subsequently, we go on to highlight a lesser appreciated fact that even when, under the corresponding linearised flow, the nearby trajectory asymptotically diverges away, its distance from the reference trajectory may still be contracting for some intermediate period. We term this phenomenon transient decay in line with the phenomenon of the transient growth. Using these facts, we show that an optimal coupling region, i.e., a region of the phase space where coupling is on, should ideally be such that at any of the constituent phase point either the maximum of the real parts of the eigenvalues is negative or the magnitude of the positive maximum is lesser than that of the negative minimum. We also invent and employ a modified dynamics coupling scheme—a significant improvement over the well-known dynamic coupling scheme—as a decisive tool to justify our results.

Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations

PubMed Central

Henriksen, Niel M.; Roe, Daniel R.; Cheatham, Thomas E.

2013-01-01

Molecular dynamics force field development and assessment requires a reliable means for obtaining a well-converged conformational ensemble of a molecule in both a time-efficient and cost-effective manner. This remains a challenge for RNA because its rugged energy landscape results in slow conformational sampling and accurate results typically require explicit solvent which increases computational cost. To address this, we performed both traditional and modified replica exchange molecular dynamics simulations on a test system (alanine dipeptide) and an RNA tetramer known to populate A-form-like conformations in solution (single-stranded rGACC). A key focus is on providing the means to demonstrate that convergence is obtained, for example by investigating replica RMSD profiles and/or detailed ensemble analysis through clustering. We found that traditional replica exchange simulations still require prohibitive time and resource expenditures, even when using GPU accelerated hardware, and our results are not well converged even at 2 microseconds of simulation time per replica. In contrast, a modified version of replica exchange, reservoir replica exchange in explicit solvent, showed much better convergence and proved to be both a cost-effective and reliable alternative to the traditional approach. We expect this method will be attractive for future research that requires quantitative conformational analysis from explicitly solvated simulations. PMID:23477537

Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations.

PubMed

Henriksen, Niel M; Roe, Daniel R; Cheatham, Thomas E

2013-04-18

Molecular dynamics force field development and assessment requires a reliable means for obtaining a well-converged conformational ensemble of a molecule in both a time-efficient and cost-effective manner. This remains a challenge for RNA because its rugged energy landscape results in slow conformational sampling and accurate results typically require explicit solvent which increases computational cost. To address this, we performed both traditional and modified replica exchange molecular dynamics simulations on a test system (alanine dipeptide) and an RNA tetramer known to populate A-form-like conformations in solution (single-stranded rGACC). A key focus is on providing the means to demonstrate that convergence is obtained, for example, by investigating replica RMSD profiles and/or detailed ensemble analysis through clustering. We found that traditional replica exchange simulations still require prohibitive time and resource expenditures, even when using GPU accelerated hardware, and our results are not well converged even at 2 μs of simulation time per replica. In contrast, a modified version of replica exchange, reservoir replica exchange in explicit solvent, showed much better convergence and proved to be both a cost-effective and reliable alternative to the traditional approach. We expect this method will be attractive for future research that requires quantitative conformational analysis from explicitly solvated simulations.

HexSim - A general purpose framework for spatially-explicit, individual-based modeling

EPA Science Inventory

HexSim is a framework for constructing spatially-explicit, individual-based computer models designed for simulating terrestrial wildlife population dynamics and interactions. HexSim is useful for a broad set of modeling applications. This talk will focus on a subset of those ap...

Deconstructing the “Resting” State: Exploring the Temporal Dynamics of Frontal Alpha Asymmetry as an Endophenotype for Depression

PubMed Central

Allen, John J. B.; Cohen, Michael X

2010-01-01

Asymmetry in frontal electrocortical alpha-band (8–13 Hz) activity recorded during resting situations (i.e., in absence of a specific task) has been investigated in relation to emotion and depression for over 30 years. This asymmetry reflects an aspect of endogenous cortical dynamics that is stable over repeated measurements and that may serve as an endophenotype for mood or other psychiatric disorders. In nearly all of this research, EEG activity is averaged across several minutes, obscuring transient dynamics that unfold on the scale of milliseconds to seconds. Such dynamic states may ultimately have greater value in linking brain activity to surface EEG asymmetry, thus improving its status as an endophenotype for depression. Here we introduce novel metrics for characterizing frontal alpha asymmetry that provide a more in-depth neurodynamical understanding of recurrent endogenous cortical processes during the resting-state. The metrics are based on transient “bursts” of asymmetry that occur frequently during the resting-state. In a sample of 306 young adults, 143 with a lifetime diagnosis of major depressive disorder (62 currently symptomatic), three questions were addressed: (1) How do novel peri-burst metrics of dynamic asymmetry compare to conventional fast-Fourier transform-based metrics? (2) Do peri-burst metrics adequately differentiate depressed from non-depressed participants? and, (3) what EEG dynamics surround the asymmetry bursts? Peri-burst metrics correlated with traditional measures of asymmetry, and were sensitive to both current and past episodes of major depression. Moreover, asymmetry bursts were characterized by a transient lateralized alpha suppression that is highly consistent in phase across bursts, and a concurrent contralateral transient alpha enhancement that is less tightly phase-locked across bursts. This approach opens new possibilities for investigating rapid cortical dynamics during resting-state EEG. PMID:21228910

Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.

PubMed

Goh, Garrett B; Hulbert, Benjamin S; Zhou, Huiqing; Brooks, Charles L

2014-07-01

pH is a ubiquitous regulator of biological activity, including protein-folding, protein-protein interactions, and enzymatic activity. Existing constant pH molecular dynamics (CPHMD) models that were developed to address questions related to the pH-dependent properties of proteins are largely based on implicit solvent models. However, implicit solvent models are known to underestimate the desolvation energy of buried charged residues, increasing the error associated with predictions that involve internal ionizable residue that are important in processes like hydrogen transport and electron transfer. Furthermore, discrete water and ions cannot be modeled in implicit solvent, which are important in systems like membrane proteins and ion channels. We report on an explicit solvent constant pH molecular dynamics framework based on multi-site λ-dynamics (CPHMD(MSλD)). In the CPHMD(MSλD) framework, we performed seamless alchemical transitions between protonation and tautomeric states using multi-site λ-dynamics, and designed novel biasing potentials to ensure that the physical end-states are predominantly sampled. We show that explicit solvent CPHMD(MSλD) simulations model realistic pH-dependent properties of proteins such as the Hen-Egg White Lysozyme (HEWL), binding domain of 2-oxoglutarate dehydrogenase (BBL) and N-terminal domain of ribosomal protein L9 (NTL9), and the pKa predictions are in excellent agreement with experimental values, with a RMSE ranging from 0.72 to 0.84 pKa units. With the recent development of the explicit solvent CPHMD(MSλD) framework for nucleic acids, accurate modeling of pH-dependent properties of both major class of biomolecules-proteins and nucleic acids is now possible. © 2013 Wiley Periodicals, Inc.

Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

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

Schwerdtfeger, Christine A.; Soudackov, Alexander V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu

2014-01-21

The development of efficient theoretical methods for describing electron transfer (ET) reactions in condensed phases is important for a variety of chemical and biological applications. Previously, dynamical dielectric continuum theory was used to derive Langevin equations for a single collective solvent coordinate describing ET in a polar solvent. In this theory, the parameters are directly related to the physical properties of the system and can be determined from experimental data or explicit molecular dynamics simulations. Herein, we combine these Langevin equations with surface hopping nonadiabatic dynamics methods to calculate the rate constants for thermal ET reactions in polar solvents formore » a wide range of electronic couplings and reaction free energies. Comparison of explicit and implicit solvent calculations illustrates that the mapping from explicit to implicit solvent models is valid even for solvents exhibiting complex relaxation behavior with multiple relaxation time scales and a short-time inertial response. The rate constants calculated for implicit solvent models with a single solvent relaxation time scale corresponding to water, acetonitrile, and methanol agree well with analytical theories in the Golden rule and solvent-controlled regimes, as well as in the intermediate regime. The implicit solvent models with two relaxation time scales are in qualitative agreement with the analytical theories but quantitatively overestimate the rate constants compared to these theories. Analysis of these simulations elucidates the importance of multiple relaxation time scales and the inertial component of the solvent response, as well as potential shortcomings of the analytical theories based on single time scale solvent relaxation models. This implicit solvent approach will enable the simulation of a wide range of ET reactions via the stochastic dynamics of a single collective solvent coordinate with parameters that are relevant to experimentally accessible systems.« less

New phenomena in non-equilibrium quantum physics

NASA Astrophysics Data System (ADS)

Kitagawa, Takuya

From its beginning in the early 20th century, quantum theory has become progressively more important especially due to its contributions to the development of technologies. Quantum mechanics is crucial for current technology such as semiconductors, and also holds promise for future technologies such as superconductors and quantum computing. Despite of the success of quantum theory, its applications have been mostly limited to equilibrium or static systems due to 1. lack of experimental controllability of non-equilibrium quantum systems 2. lack of theoretical frameworks to understand non-equilibrium dynamics. Consequently, physicists have not yet discovered too many interesting phenomena in non-equilibrium quantum systems from both theoretical and experimental point of view and thus, non-equilibrium quantum physics did not attract too much attentions. The situation has recently changed due to the rapid development of experimental techniques in condensed matter as well as cold atom systems, which now enables a better control of non-equilibrium quantum systems. Motivated by this experimental progress, we constructed theoretical frameworks to study three different non-equilibrium regimes of transient dynamics, steady states and periodically drives. These frameworks provide new perspectives for dynamical quantum process, and help to discover new phenomena in these systems. In this thesis, we describe these frameworks through explicit examples and demonstrate their versatility. Some of these theoretical proposals have been realized in experiments, confirming the applicability of the theories to realistic experimental situations. These studies have led to not only the improved fundamental understanding of non-equilibrium processes in quantum systems, but also suggested entirely different venues for developing quantum technologies.

Dynamic architecture of the purinosome involved in human de novo purine biosynthesis.

PubMed

Kyoung, Minjoung; Russell, Sarah J; Kohnhorst, Casey L; Esemoto, Nopondo N; An, Songon

2015-01-27

Enzymes in human de novo purine biosynthesis have been demonstrated to form a reversible, transient multienzyme complex, the purinosome, upon purine starvation. However, characterization of purinosomes has been limited to HeLa cells and has heavily relied on qualitative examination of their subcellular localization and reversibility under wide-field fluorescence microscopy. Quantitative approaches, which are particularly compatible with human disease-relevant cell lines, are necessary to explicitly understand the purinosome in live cells. In this work, human breast carcinoma Hs578T cells have been utilized to demonstrate the preferential utilization of the purinosome under purine-depleted conditions. In addition, we have employed a confocal microscopy-based biophysical technique, fluorescence recovery after photobleaching, to characterize kinetic properties of the purinosome in live Hs578T cells. Quantitative characterization of the diffusion coefficients of all de novo purine biosynthetic enzymes reveals the significant reduction of their mobile kinetics upon purinosome formation, the dynamic partitioning of each enzyme into the purinosome, and the existence of three intermediate species in purinosome assembly under purine starvation. We also demonstrate that the diffusion coefficient of the purine salvage enzyme, hypoxanthine phosphoribosyltransferase 1, is not sensitive to purine starvation, indicating exclusion of the salvage pathway from the purinosome. Furthermore, our biophysical characterization of nonmetabolic enzymes clarifies that purinosomes are spatiotemporally different cellular bodies from stress granules and cytoplasmic protein aggregates in both Hs578T and HeLa cells. Collectively, quantitative analyses of the purinosome in Hs578T cells led us to provide novel insights for the dynamic architecture of the purinosome assembly.

Development of Multi-Physics Dynamics Models for High-Frequency Large-Amplitude Structural Response Simulation

NASA Technical Reports Server (NTRS)

Derkevorkian, Armen; Peterson, Lee; Kolaini, Ali R.; Hendricks, Terry J.; Nesmith, Bill J.

2016-01-01

An analytic approach is demonstrated to reveal potential pyroshock -driven dynamic effects causing power losses in the Thermo -Electric (TE) module bars of the Mars Science Laboratory (MSL) Multi -Mission Radioisotope Thermoelectric Generator (MMRTG). This study utilizes high- fidelity finite element analysis with SIERRA/PRESTO codes to estimate wave propagation effects due to large -amplitude suddenly -applied pyro shock loads in the MMRTG. A high fidelity model of the TE module bar was created with approximately 30 million degrees -of-freedom (DOF). First, a quasi -static preload was applied on top of the TE module bar, then transient tri- axial acceleration inputs were simultaneously applied on the preloaded module. The applied input acceleration signals were measured during MMRTG shock qualification tests performed at the Jet Propulsion Laboratory. An explicit finite element solver in the SIERRA/PRESTO computational environment, along with a 3000 processor parallel super -computing framework at NASA -AMES, was used for the simulation. The simulation results were investigated both qualitatively and quantitatively. The predicted shock wave propagation results provide detailed structural responses throughout the TE module bar, and key insights into the dynamic response (i.e., loads, displacements, accelerations) of critical internal spring/piston compression systems, TE materials, and internal component interfaces in the MMRTG TE module bar. They also provide confidence on the viability of this high -fidelity modeling scheme to accurately predict shock wave propagation patterns within complex structures. This analytic approach is envisioned for modeling shock sensitive hardware susceptible to intense shock environments positioned near shock separation devices in modern space vehicles and systems.

Dynamics of elastic nonlinear rotating composite beams with embedded actuators

NASA Astrophysics Data System (ADS)

Ghorashi, Mehrdaad

2009-08-01

A comprehensive study of the nonlinear dynamics of composite beams is presented. The study consists of static and dynamic solutions with and without active elements. The static solution provides the initial conditions for the dynamic analysis. The dynamic problems considered include the analyses of clamped (hingeless) and articulated (hinged) accelerating rotating beams. Numerical solutions for the steady state and transient responses have been obtained. It is shown that the transient solution of the nonlinear formulation of accelerating rotating beam converges to the steady state solution obtained by the shooting method. The effect of perturbing the steady state solution has also been calculated and the results are shown to be compatible with those of the accelerating beam analysis. Next, the coupled flap-lag rigid body dynamics of a rotating articulated beam with hinge offset and subjected to aerodynamic forces is formulated. The solution to this rigid-body problem is then used, together with the finite difference method, in order to produce the nonlinear elasto-dynamic solution of an accelerating articulated beam. Next, the static and dynamic responses of nonlinear composite beams with embedded Anisotropic Piezo-composite Actuators (APA) are presented. The effect of activating actuators at various directions on the steady state force and moments generated in a rotating composite beam has been presented. With similar results for the transient response, this analysis can be used in controlling the response of adaptive rotating beams.

Exploring Hamiltonian dielectric solvent molecular dynamics

NASA Astrophysics Data System (ADS)

Bauer, Sebastian; Tavan, Paul; Mathias, Gerald

2014-09-01

Hamiltonian dielectric solvent (HADES) is a recent method [7,25], which enables Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric continua. Sample simulations of an α-helical decapeptide with and without explicit solvent demonstrate the high efficiency of HADES-MD. Addressing the folding of this peptide by replica exchange MD we study the properties of HADES by comparing melting curves, secondary structure motifs and salt bridges with explicit solvent results. Despite the unoptimized ad hoc parametrization of HADES, calculated reaction field energies correlate well with numerical grid solutions of the dielectric Poisson equation.

Application of the Tool for Turbine Engine Closed-Loop Transient Analysis (TTECTrA) for Dynamic Systems Analysis

NASA Technical Reports Server (NTRS)

Csank, Jeffrey T.; Zinnecker, Alicia M.

2014-01-01

The aircraft engine design process seeks to achieve the best overall system-level performance, weight, and cost for a given engine design. This is achieved by a complex process known as systems analysis, where steady-state simulations are used to identify trade-offs that should be balanced to optimize the system. The steady-state simulations and data on which systems analysis relies may not adequately capture the true performance trade-offs that exist during transient operation. Dynamic Systems Analysis provides the capability for assessing these trade-offs at an earlier stage of the engine design process. The concept of dynamic systems analysis and the type of information available from this analysis are presented in this paper. To provide this capability, the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) was developed. This tool aids a user in the design of a power management controller to regulate thrust, and a transient limiter to protect the engine model from surge at a single flight condition (defined by an altitude and Mach number). Results from simulation of the closed-loop system may be used to estimate the dynamic performance of the model. This enables evaluation of the trade-off between performance and operability, or safety, in the engine, which could not be done with steady-state data alone. A design study is presented to compare the dynamic performance of two different engine models integrated with the TTECTrA software.

Modeling fluvial incision and transient landscape evolution: Influence of dynamic channel adjustment

NASA Astrophysics Data System (ADS)

Attal, M.; Tucker, G. E.; Whittaker, A. C.; Cowie, P. A.; Roberts, G. P.

2008-09-01

Channel geometry exerts a fundamental control on fluvial processes. Recent work has shown that bedrock channel width depends on a number of parameters, including channel slope, and is not solely a function of drainage area as is commonly assumed. The present work represents the first attempt to investigate the consequences of dynamic, gradient-sensitive channel adjustment for drainage-basin evolution. We use the Channel-Hillslope Integrated Landscape Development (CHILD) model to analyze the response of a catchment to a given tectonic perturbation, using, as a template, the topography of a well-documented catchment in the footwall of an active normal fault in the Apennines (Italy) that is known to be undergoing a transient response to tectonic forcing. We show that the observed transient response can be reproduced to first order with a simple detachment-limited fluvial incision law. Transient landscape is characterized by gentler gradients and a shorter response time when dynamic channel adjustment is allowed. The differences in predicted channel geometry between the static case (width dependent solely on upstream area) and dynamic case (width dependent on both drainage area and channel slope) lead to contrasting landscape morphologies when integrated at the scale of a whole catchment, particularly in presence of strong tilting and/or pronounced slip-rate acceleration. Our results emphasize the importance of channel width in controlling fluvial processes and landscape evolution. They stress the need for using a dynamic hydraulic scaling law when modeling landscape evolution, particularly when the relative uplift field is nonuniform.

Modeling the Effect of Fluid-Structure Interaction on the Impact Dynamics of Pressurized Tank Cars

DOT National Transportation Integrated Search

2009-11-13

This paper presents a computational framework that : analyzes the effect of fluid-structure interaction (FSI) on the : impact dynamics of pressurized commodity tank cars using the : nonlinear dynamic finite element code ABAQUS/Explicit. : There exist...

Lumped-Element Dynamic Electro-Thermal model of a superconducting magnet

NASA Astrophysics Data System (ADS)

Ravaioli, E.; Auchmann, B.; Maciejewski, M.; ten Kate, H. H. J.; Verweij, A. P.

2016-12-01

Modeling accurately electro-thermal transients occurring in a superconducting magnet is challenging. The behavior of the magnet is the result of complex phenomena occurring in distinct physical domains (electrical, magnetic and thermal) at very different spatial and time scales. Combined multi-domain effects significantly affect the dynamic behavior of the system and are to be taken into account in a coherent and consistent model. A new methodology for developing a Lumped-Element Dynamic Electro-Thermal (LEDET) model of a superconducting magnet is presented. This model includes non-linear dynamic effects such as the dependence of the magnet's differential self-inductance on the presence of inter-filament and inter-strand coupling currents in the conductor. These effects are usually not taken into account because superconducting magnets are primarily operated in stationary conditions. However, they often have significant impact on magnet performance, particularly when the magnet is subject to high ramp rates. Following the LEDET method, the complex interdependence between the electro-magnetic and thermal domains can be modeled with three sub-networks of lumped-elements, reproducing the electrical transient in the main magnet circuit, the thermal transient in the coil cross-section, and the electro-magnetic transient of the inter-filament and inter-strand coupling currents in the superconductor. The same simulation environment can simultaneously model macroscopic electrical transients and phenomena at the level of superconducting strands. The model developed is a very useful tool for reproducing and predicting the performance of conventional quench protection systems based on energy extraction and quench heaters, and of the innovative CLIQ protection system as well.

Dynamic mesh for TCAD modeling with ECORCE

NASA Astrophysics Data System (ADS)

Michez, A.; Boch, J.; Touboul, A.; Saigné, F.

2016-08-01

Mesh generation for TCAD modeling is challenging. Because densities of carriers can change by several orders of magnitude in thin areas, a significant change of the solution can be observed for two very similar meshes. The mesh must be defined at best to minimize this change. To address this issue, a criterion based on polynomial interpolation on adjacent nodes is proposed that adjusts accurately the mesh to the gradients of Degrees of Freedom. Furthermore, a dynamic mesh that follows changes of DF in DC and transient mode is a powerful tool for TCAD users. But, in transient modeling, adding nodes to a mesh induces oscillations in the solution that appears as spikes at the current collected at the contacts. This paper proposes two schemes that solve this problem. Examples show that using these techniques, the dynamic mesh generator of the TCAD tool ECORCE handle semiconductors devices in DC and transient mode.

Explicit Computations of Instantons and Large Deviations in Beta-Plane Turbulence

NASA Astrophysics Data System (ADS)

Laurie, J.; Bouchet, F.; Zaboronski, O.

2012-12-01

We use a path integral formalism and instanton theory in order to make explicit analytical predictions about large deviations and rare events in beta-plane turbulence. The path integral formalism is a concise way to get large deviation results in dynamical systems forced by random noise. In the most simple cases, it leads to the same results as the Freidlin-Wentzell theory, but it has a wider range of applicability. This approach is however usually extremely limited, due to the complexity of the theoretical problems. As a consequence it provides explicit results in a fairly limited number of models, often extremely simple ones with only a few degrees of freedom. Few exception exist outside the realm of equilibrium statistical physics. We will show that the barotropic model of beta-plane turbulence is one of these non-equilibrium exceptions. We describe sets of explicit solutions to the instanton equation, and precise derivations of the action functional (or large deviation rate function). The reason why such exact computations are possible is related to the existence of hidden symmetries and conservation laws for the instanton dynamics. We outline several applications of this apporach. For instance, we compute explicitly the very low probability to observe flows with an energy much larger or smaller than the typical one. Moreover, we consider regimes for which the system has multiple attractors (corresponding to different numbers of alternating jets), and discuss the computation of transition probabilities between two such attractors. These extremely rare events are of the utmost importance as the dynamics undergo qualitative macroscopic changes during such transitions.

Curing dynamics of photopolymers measured by single-shot heterodyne transient grating method.

PubMed

Arai, Mika; Fujii, Tomomi; Inoue, Hayato; Kuwahara, Shota; Katayama, Kenji

2013-01-01

The heterodyne transient grating (HD-TG) method was first applied to the curing dynamics measurement of photopolymers. The curing dynamics for various monomers including an initiator (2.5 vol%) was monitored optically via the refractive index change after a single UV pulse irradiation. We could obtain the polymerization time and the final change in the refractive index, and the parameters were correlated with the viscosity, molecular structure, and reaction sites. As the polymerization time was longer, the final refractive change was larger, and the polymerization time was explained in terms of the monomer properties.

Transient behavior of redox flow battery connected to circuit based on global phase structure

NASA Astrophysics Data System (ADS)

Mannari, Toko; Hikihara, Takashi

A Redox Flow Battery (RFB) is one of the promising energy storage systems in power grid. An RFB has many advantages such as a quick response, a large capacity, and a scalability. Due to these advantages, an RFB can operate in mixed time scale. Actually, it has been demonstrated that an RFB can be used for load leveling, compensating sag, and smoothing the output of the renewable sources. An analysis on transient behaviors of an RFB is a key issue for these applications. An RFB is governed by electrical, chemical, and fluid dynamics. The hybrid structure makes the analysis difficult. To analyze transient behaviors of an RFB, the exact model is necessary. In this paper, we focus on a change in a concentration of ions in the electrolyte, and simulate the change with a model which is mainly based on chemical kinetics. The simulation results introduces transient behaviors of an RFB in a response to a load variation. There are found three kinds of typical transient behaviors including oscillations. As results, it is clarified that the complex transient behaviors, due to slow and fast dynamics in the system, arise by the quick response to load.

Transient dynamics of NbOx threshold switches explained by Poole-Frenkel based thermal feedback mechanism

NASA Astrophysics Data System (ADS)

Wang, Ziwen; Kumar, Suhas; Nishi, Yoshio; Wong, H.-S. Philip

2018-05-01

Niobium oxide (NbOx) two-terminal threshold switches are potential candidates as selector devices in crossbar memory arrays and as building blocks for neuromorphic systems. However, the physical mechanism of NbOx threshold switches is still under debate. In this paper, we show that a thermal feedback mechanism based on Poole-Frenkel conduction can explain both the quasi-static and the transient electrical characteristics that are experimentally observed for NbOx threshold switches, providing strong support for the validity of this mechanism. Furthermore, a clear picture of the transient dynamics during the thermal-feedback-induced threshold switching is presented, providing useful insights required to model nonlinear devices where thermal feedback is important.

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

NASA Astrophysics Data System (ADS)

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

2015-11-01

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

Chunking dynamics: heteroclinics in mind

PubMed Central

Rabinovich, Mikhail I.; Varona, Pablo; Tristan, Irma; Afraimovich, Valentin S.

2014-01-01

Recent results of imaging technologies and non-linear dynamics make possible to relate the structure and dynamics of functional brain networks to different mental tasks and to build theoretical models for the description and prediction of cognitive activity. Such models are non-linear dynamical descriptions of the interaction of the core components—brain modes—participating in a specific mental function. The dynamical images of different mental processes depend on their temporal features. The dynamics of many cognitive functions are transient. They are often observed as a chain of sequentially changing metastable states. A stable heteroclinic channel (SHC) consisting of a chain of saddles—metastable states—connected by unstable separatrices is a mathematical image for robust transients. In this paper we focus on hierarchical chunking dynamics that can represent several forms of transient cognitive activity. Chunking is a dynamical phenomenon that nature uses to perform information processing of long sequences by dividing them in shorter information items. Chunking, for example, makes more efficient the use of short-term memory by breaking up long strings of information (like in language where one can see the separation of a novel on chapters, paragraphs, sentences, and finally words). Chunking is important in many processes of perception, learning, and cognition in humans and animals. Based on anatomical information about the hierarchical organization of functional brain networks, we propose a cognitive network architecture that hierarchically chunks and super-chunks switching sequences of metastable states produced by winnerless competitive heteroclinic dynamics. PMID:24672469

Chunking dynamics: heteroclinics in mind.

PubMed

Rabinovich, Mikhail I; Varona, Pablo; Tristan, Irma; Afraimovich, Valentin S

2014-01-01

Recent results of imaging technologies and non-linear dynamics make possible to relate the structure and dynamics of functional brain networks to different mental tasks and to build theoretical models for the description and prediction of cognitive activity. Such models are non-linear dynamical descriptions of the interaction of the core components-brain modes-participating in a specific mental function. The dynamical images of different mental processes depend on their temporal features. The dynamics of many cognitive functions are transient. They are often observed as a chain of sequentially changing metastable states. A stable heteroclinic channel (SHC) consisting of a chain of saddles-metastable states-connected by unstable separatrices is a mathematical image for robust transients. In this paper we focus on hierarchical chunking dynamics that can represent several forms of transient cognitive activity. Chunking is a dynamical phenomenon that nature uses to perform information processing of long sequences by dividing them in shorter information items. Chunking, for example, makes more efficient the use of short-term memory by breaking up long strings of information (like in language where one can see the separation of a novel on chapters, paragraphs, sentences, and finally words). Chunking is important in many processes of perception, learning, and cognition in humans and animals. Based on anatomical information about the hierarchical organization of functional brain networks, we propose a cognitive network architecture that hierarchically chunks and super-chunks switching sequences of metastable states produced by winnerless competitive heteroclinic dynamics.

Improving predictions of large scale soil carbon dynamics: Integration of fine-scale hydrological and biogeochemical processes, scaling, and benchmarking

NASA Astrophysics Data System (ADS)

Riley, W. J.; Dwivedi, D.; Ghimire, B.; Hoffman, F. M.; Pau, G. S. H.; Randerson, J. T.; Shen, C.; Tang, J.; Zhu, Q.

2015-12-01

Numerical model representations of decadal- to centennial-scale soil-carbon dynamics are a dominant cause of uncertainty in climate change predictions. Recent attempts by some Earth System Model (ESM) teams to integrate previously unrepresented soil processes (e.g., explicit microbial processes, abiotic interactions with mineral surfaces, vertical transport), poor performance of many ESM land models against large-scale and experimental manipulation observations, and complexities associated with spatial heterogeneity highlight the nascent nature of our community's ability to accurately predict future soil carbon dynamics. I will present recent work from our group to develop a modeling framework to integrate pore-, column-, watershed-, and global-scale soil process representations into an ESM (ACME), and apply the International Land Model Benchmarking (ILAMB) package for evaluation. At the column scale and across a wide range of sites, observed depth-resolved carbon stocks and their 14C derived turnover times can be explained by a model with explicit representation of two microbial populations, a simple representation of mineralogy, and vertical transport. Integrating soil and plant dynamics requires a 'process-scaling' approach, since all aspects of the multi-nutrient system cannot be explicitly resolved at ESM scales. I will show that one approach, the Equilibrium Chemistry Approximation, improves predictions of forest nitrogen and phosphorus experimental manipulations and leads to very different global soil carbon predictions. Translating model representations from the site- to ESM-scale requires a spatial scaling approach that either explicitly resolves the relevant processes, or more practically, accounts for fine-resolution dynamics at coarser scales. To that end, I will present recent watershed-scale modeling work that applies reduced order model methods to accurately scale fine-resolution soil carbon dynamics to coarse-resolution simulations. Finally, we contend that creating believable soil carbon predictions requires a robust, transparent, and community-available benchmarking framework. I will present an ILAMB evaluation of several of the above-mentioned approaches in ACME, and attempt to motivate community adoption of this evaluation approach.

Space use and habitat selection by resident and transient red wolves (Canis rufus)

USGS Publications Warehouse

Hinton, Joseph W.; Proctor, Christine; Kelly, Marcella J.; van Manen, Frank T.; Vaughan, Michael R.; Chamberlain, Michael J.

2016-01-01

Recovery of large carnivores remains a challenge because complex spatial dynamics that facilitate population persistence are poorly understood. In particular, recovery of the critically endangered red wolf (Canis rufus) has been challenging because of its vulnerability to extinction via human-caused mortality and hybridization with coyotes (Canis latrans). Therefore, understanding red wolf space use and habitat selection is important to assist recovery because key aspects of wolf ecology such as interspecific competition, foraging, and habitat selection are well-known to influence population dynamics and persistence. During 2009–2011, we used global positioning system (GPS) radio-telemetry to quantify space use and 3rd-order habitat selection for resident and transient red wolves on the Albemarle Peninsula of eastern North Carolina. The Albemarle Peninsula was a predominantly agricultural landscape in which red wolves maintained spatially stable home ranges that varied between 25 km2 and 190 km2. Conversely, transient red wolves did not maintain home ranges and traversed areas between 122 km2 and 681 km2. Space use by transient red wolves was not spatially stable and exhibited shifting patterns until residency was achieved by individual wolves. Habitat selection was similar between resident and transient red wolves in which agricultural habitats were selected over forested habitats. However, transients showed stronger selection for edges and roads than resident red wolves. Behaviors of transient wolves are rarely reported in studies of space use and habitat selection because of technological limitations to observed extensive space use and because they do not contribute reproductively to populations. Transients in our study comprised displaced red wolves and younger dispersers that competed for limited space and mating opportunities. Therefore, our results suggest that transiency is likely an important life-history strategy for red wolves that facilitates metapopulation dynamics through short- and long-distance movements and eventual replacement of breeding residents lost to mortality.

Space Use and Habitat Selection by Resident and Transient Red Wolves (Canis rufus).

PubMed

Hinton, Joseph W; Proctor, Christine; Kelly, Marcella J; van Manen, Frank T; Vaughan, Michael R; Chamberlain, Michael J

2016-01-01

Recovery of large carnivores remains a challenge because complex spatial dynamics that facilitate population persistence are poorly understood. In particular, recovery of the critically endangered red wolf (Canis rufus) has been challenging because of its vulnerability to extinction via human-caused mortality and hybridization with coyotes (Canis latrans). Therefore, understanding red wolf space use and habitat selection is important to assist recovery because key aspects of wolf ecology such as interspecific competition, foraging, and habitat selection are well-known to influence population dynamics and persistence. During 2009-2011, we used global positioning system (GPS) radio-telemetry to quantify space use and 3rd-order habitat selection for resident and transient red wolves on the Albemarle Peninsula of eastern North Carolina. The Albemarle Peninsula was a predominantly agricultural landscape in which red wolves maintained spatially stable home ranges that varied between 25 km2 and 190 km2. Conversely, transient red wolves did not maintain home ranges and traversed areas between 122 km2 and 681 km2. Space use by transient red wolves was not spatially stable and exhibited shifting patterns until residency was achieved by individual wolves. Habitat selection was similar between resident and transient red wolves in which agricultural habitats were selected over forested habitats. However, transients showed stronger selection for edges and roads than resident red wolves. Behaviors of transient wolves are rarely reported in studies of space use and habitat selection because of technological limitations to observed extensive space use and because they do not contribute reproductively to populations. Transients in our study comprised displaced red wolves and younger dispersers that competed for limited space and mating opportunities. Therefore, our results suggest that transiency is likely an important life-history strategy for red wolves that facilitates metapopulation dynamics through short- and long-distance movements and eventual replacement of breeding residents lost to mortality.

Space Use and Habitat Selection by Resident and Transient Red Wolves (Canis rufus)

PubMed Central

Hinton, Joseph W.; Proctor, Christine; Kelly, Marcella J.; van Manen, Frank T.; Vaughan, Michael R.; Chamberlain, Michael J.

2016-01-01

Recovery of large carnivores remains a challenge because complex spatial dynamics that facilitate population persistence are poorly understood. In particular, recovery of the critically endangered red wolf (Canis rufus) has been challenging because of its vulnerability to extinction via human-caused mortality and hybridization with coyotes (Canis latrans). Therefore, understanding red wolf space use and habitat selection is important to assist recovery because key aspects of wolf ecology such as interspecific competition, foraging, and habitat selection are well-known to influence population dynamics and persistence. During 2009–2011, we used global positioning system (GPS) radio-telemetry to quantify space use and 3rd-order habitat selection for resident and transient red wolves on the Albemarle Peninsula of eastern North Carolina. The Albemarle Peninsula was a predominantly agricultural landscape in which red wolves maintained spatially stable home ranges that varied between 25 km2 and 190 km2. Conversely, transient red wolves did not maintain home ranges and traversed areas between 122 km2 and 681 km2. Space use by transient red wolves was not spatially stable and exhibited shifting patterns until residency was achieved by individual wolves. Habitat selection was similar between resident and transient red wolves in which agricultural habitats were selected over forested habitats. However, transients showed stronger selection for edges and roads than resident red wolves. Behaviors of transient wolves are rarely reported in studies of space use and habitat selection because of technological limitations to observed extensive space use and because they do not contribute reproductively to populations. Transients in our study comprised displaced red wolves and younger dispersers that competed for limited space and mating opportunities. Therefore, our results suggest that transiency is likely an important life-history strategy for red wolves that facilitates metapopulation dynamics through short- and long-distance movements and eventual replacement of breeding residents lost to mortality. PMID:28002495

Time Domain Radar Laboratory Operating System Development and Transient EM Analysis.

DTIC Science & Technology

1981-09-01

polarization of the return, arg used. Other similar methods use amplitude and phase differences or special properties of Rayleigh region scattering. All these...3ptias Inverse Scattering ... 19 2. "!xact" Inverse Scattering !Nethod .. 20 3. Other Methods ................... 21 C. REVIEW OF TDRL PROGRESS AT SPS...explicit independant variable in.most methods . In the past, frequency domain analysis has been the primary means of analyzing aan-monochromatic EM

Real-time optical laboratory solution of parabolic differential equations

NASA Technical Reports Server (NTRS)

Casasent, David; Jackson, James

1988-01-01

An optical laboratory matrix-vector processor is used to solve parabolic differential equations (the transient diffusion equation with two space variables and time) by an explicit algorithm. This includes optical matrix-vector nonbase-2 encoded laboratory data, the combination of nonbase-2 and frequency-multiplexed data on such processors, a high-accuracy optical laboratory solution of a partial differential equation, new data partitioning techniques, and a discussion of a multiprocessor optical matrix-vector architecture.

Neurocognitive mechanisms underlying the experience of flow.

PubMed

Dietrich, Arne

2004-12-01

Recent theoretical and empirical work in cognitive science and neuroscience is brought into contact with the concept of the flow experience. After a brief exposition of brain function, the explicit-implicit distinction is applied to the effortless information processing that is so characteristic of the flow state. The explicit system is associated with the higher cognitive functions of the frontal lobe and medial temporal lobe structures and has evolved to increase cognitive flexibility. In contrast, the implicit system is associated with the skill-based knowledge supported primarily by the basal ganglia and has the advantage of being more efficient. From the analysis of this flexibility/efficiency trade-off emerges a thesis that identifies the flow state as a period during which a highly practiced skill that is represented in the implicit system's knowledge base is implemented without interference from the explicit system. It is proposed that a necessary prerequisite to the experience of flow is a state of transient hypofrontality that enables the temporary suppression of the analytical and meta-conscious capacities of the explicit system. Examining sensory-motor integration skills that seem to typify flow such as athletic performance, writing, and free-jazz improvisation, the new framework clarifies how this concept relates to creativity and opens new avenues of research.

Photoisomerization and photoionization of the photoactive yellow protein chromophore in solution.

PubMed

Larsen, Delmar S; Vengris, Mikas; van Stokkum, Ivo H M; van der Horst, Michael A; de Weerd, Frank L; Hellingwerf, Klaas J; van Grondelle, Rienk

2004-04-01

Dispersed pump-dump-probe spectroscopy has the ability to characterize and identify the underlying ultrafast dynamical processes in complicated chemical and biological systems. This technique builds on traditional pump-probe techniques by exploring both ground- and excited-state dynamics and characterizing the connectivity between constituent transient states. We have used the dispersed pump-dump-probe technique to investigate the ground-state dynamics and competing excited-state processes in the excitation-induced ultrafast dynamics of thiomethyl p-coumaric acid, a model chromophore for the photoreceptor photoactive yellow protein. Our results demonstrate the parallel formation of two relaxation pathways (with multiple transient states) that jointly lead to two different types of photochemistry: cis-trans isomerization and detachment of a hydrated electron. The relative transition rates and quantum yields of both pathways have been determined. We find that the relaxation of the photoexcited chromophores involves multiple, transient ground-state intermediates and the chromophore in solution does not generate persistent photoisomerized products, but instead undergoes photoionization resulting in the generation of detached electrons and radicals. These results are of great value in interpreting the more complex dynamical changes in the optical properties of the photoactive yellow protein.

Photoisomerization and Photoionization of the Photoactive Yellow Protein Chromophore in Solution

PubMed Central

Larsen, Delmar S.; Vengris, Mikas; van Stokkum, Ivo H. M.; van der Horst, Michael A.; de Weerd, Frank L.; Hellingwerf, Klaas J.; van Grondelle, Rienk

2004-01-01

Dispersed pump-dump-probe spectroscopy has the ability to characterize and identify the underlying ultrafast dynamical processes in complicated chemical and biological systems. This technique builds on traditional pump-probe techniques by exploring both ground- and excited-state dynamics and characterizing the connectivity between constituent transient states. We have used the dispersed pump-dump-probe technique to investigate the ground-state dynamics and competing excited-state processes in the excitation-induced ultrafast dynamics of thiomethyl p-coumaric acid, a model chromophore for the photoreceptor photoactive yellow protein. Our results demonstrate the parallel formation of two relaxation pathways (with multiple transient states) that jointly lead to two different types of photochemistry: cis-trans isomerization and detachment of a hydrated electron. The relative transition rates and quantum yields of both pathways have been determined. We find that the relaxation of the photoexcited chromophores involves multiple, transient ground-state intermediates and the chromophore in solution does not generate persistent photoisomerized products, but instead undergoes photoionization resulting in the generation of detached electrons and radicals. These results are of great value in interpreting the more complex dynamical changes in the optical properties of the photoactive yellow protein. PMID:15041690

Dynamic characteristics of motor-gear system under load saltations and voltage transients

NASA Astrophysics Data System (ADS)

Bai, Wenyu; Qin, Datong; Wang, Yawen; Lim, Teik C.

2018-02-01

In this paper, a dynamic model of a motor-gear system is proposed. The model combines a nonlinear permeance network model (PNM) of a squirrel-cage induction motor and a coupled lateral-torsional dynamic model of a planetary geared rotor system. The external excitations including voltage transients and load saltations, as well as the internal excitations such as spatial effects, magnetic circuits topology and material nonlinearity in the motor, and time-varying mesh stiffness and damping in the planetary gear system are considered in the proposed model. Then, the simulation results are compared with those predicted by the electromechanical model containing a dynamic motor model with constant inductances. The comparison showed that the electromechanical system model with the PNM motor model yields more reasonable results than the electromechanical system model with the lumped-parameter electric machine. It is observed that electromechanical coupling effect can induce additional and severe gear vibrations. In addition, the external conditions, especially the voltage transients, will dramatically affect the dynamic characteristics of the electromechanical system. Finally, some suggestions are offered based on this analysis for improving the performance and reliability of the electromechanical system.

[Application of spatially explicit landscape model in soil loss study in Huzhong area].

PubMed

Xu, Chonggang; Hu, Yuanman; Chang, Yu; Li, Xiuzhen; Bu, Renchang; He, Hongshi; Leng, Wenfang

2004-10-01

Universal Soil Loss Equation (USLE) has been widely used to estimate the average annual soil loss. In most of the previous work on soil loss evaluation on forestland, cover management factor was calculated from the static forest landscape. The advent of spatially explicit forest landscape model in the last decade, which explicitly simulates the forest succession dynamics under natural and anthropogenic disturbances (fire, wind, harvest and so on) on heterogeneous landscape, makes it possible to take into consideration the change of forest cover, and to dynamically simulate the soil loss in different year (e.g. 10 years and 20 years after current year). In this study, we linked a spatially explicit landscape model (LANDIS) with USLE to simulate the soil loss dynamics under two scenarios: fire and no harvest, fire and harvest. We also simulated the soil loss with no fire and no harvest as a control. The results showed that soil loss varied periodically with simulation year, and the amplitude of change was the lowest under the control scenario and the highest under the fire and no harvest scenario. The effect of harvest on soil loss could not be easily identified on the map; however, the cumulative effect of harvest on soil loss was larger than that of fire. Decreasing the harvest area and the percent of bare soil increased by harvest could significantly reduce soil loss, but had no significant effects on the dynamic of soil loss. Although harvest increased the annual soil loss, it tended to decrease the variability of soil loss between different simulation years.

Parametrization of Backbone Flexibility in a Coarse-Grained Force Field for Proteins (COFFDROP) Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of All Possible Two-Residue Peptides.

PubMed

Frembgen-Kesner, Tamara; Andrews, Casey T; Li, Shuxiang; Ngo, Nguyet Anh; Shubert, Scott A; Jain, Aakash; Olayiwola, Oluwatoni J; Weishaar, Mitch R; Elcock, Adrian H

2015-05-12

Recently, we reported the parametrization of a set of coarse-grained (CG) nonbonded potential functions, derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acid pairs and designed for use in (implicit-solvent) Brownian dynamics (BD) simulations of proteins; this force field was named COFFDROP (COarse-grained Force Field for Dynamic Representations Of Proteins). Here, we describe the extension of COFFDROP to include bonded backbone terms derived from fitting to results of explicit-solvent MD simulations of all possible two-residue peptides containing the 20 standard amino acids, with histidine modeled in both its protonated and neutral forms. The iterative Boltzmann inversion (IBI) method was used to optimize new CG potential functions for backbone-related terms by attempting to reproduce angle, dihedral, and distance probability distributions generated by the MD simulations. In a simple test of the transferability of the extended force field, the angle, dihedral, and distance probability distributions obtained from BD simulations of 56 three-residue peptides were compared to results from corresponding explicit-solvent MD simulations. In a more challenging test of the COFFDROP force field, it was used to simulate eight intrinsically disordered proteins and was shown to quite accurately reproduce the experimental hydrodynamic radii (Rhydro), provided that the favorable nonbonded interactions of the force field were uniformly scaled downward in magnitude. Overall, the results indicate that the COFFDROP force field is likely to find use in modeling the conformational behavior of intrinsically disordered proteins and multidomain proteins connected by flexible linkers.

Selection Dynamics in Transient Compartmentalization

NASA Astrophysics Data System (ADS)

Blokhuis, Alex; Lacoste, David; Nghe, Philippe; Peliti, Luca

2018-04-01

Transient compartments have been recently shown to be able to maintain functional replicators in the context of prebiotic studies. Here, we show that a broad class of selection dynamics is able to achieve this goal. We identify two key parameters, the relative amplification of nonactive replicators (parasites) and the size of compartments. These parameters account for competition and diversity, and the results are relevant to similar multilevel selection problems, such as those found in virus-host ecology and trait group selection.

L1 Adaptive Control Augmentation System with Application to the X-29 Lateral/Directional Dynamics: A Multi-Input Multi-Output Approach

NASA Technical Reports Server (NTRS)

Griffin, Brian Joseph; Burken, John J.; Xargay, Enric

2010-01-01

This paper presents an L(sub 1) adaptive control augmentation system design for multi-input multi-output nonlinear systems in the presence of unmatched uncertainties which may exhibit significant cross-coupling effects. A piecewise continuous adaptive law is adopted and extended for applicability to multi-input multi-output systems that explicitly compensates for dynamic cross-coupling. In addition, explicit use of high-fidelity actuator models are added to the L1 architecture to reduce uncertainties in the system. The L(sub 1) multi-input multi-output adaptive control architecture is applied to the X-29 lateral/directional dynamics and results are evaluated against a similar single-input single-output design approach.

The Dynamic Radio Sky: An Opportunity for Discovery

DTIC Science & Technology

2010-01-01

brown dwarfs, flare stars extrasolar planets signals from ET civilizations pulsar giant pulses, inter- mittant pulsars , magnetar flares, X-ray binaries...giant pulses from the Crab pulsar , a small number of dedicated radio transient surveys, and the serendipitous discovery of transient radio sources...transients. 3.1 Case Study: Rotating Radio Transients—A New Population of Neutron Stars The first pulsars were discovered through visual inspection of

Fast but fleeting: adaptive motor learning processes associated with aging and cognitive decline.

PubMed

Trewartha, Kevin M; Garcia, Angeles; Wolpert, Daniel M; Flanagan, J Randall

2014-10-01

Motor learning has been shown to depend on multiple interacting learning processes. For example, learning to adapt when moving grasped objects with novel dynamics involves a fast process that adapts and decays quickly-and that has been linked to explicit memory-and a slower process that adapts and decays more gradually. Each process is characterized by a learning rate that controls how strongly motor memory is updated based on experienced errors and a retention factor determining the movement-to-movement decay in motor memory. Here we examined whether fast and slow motor learning processes involved in learning novel dynamics differ between younger and older adults. In addition, we investigated how age-related decline in explicit memory performance influences learning and retention parameters. Although the groups adapted equally well, they did so with markedly different underlying processes. Whereas the groups had similar fast processes, they had different slow processes. Specifically, the older adults exhibited decreased retention in their slow process compared with younger adults. Within the older group, who exhibited considerable variation in explicit memory performance, we found that poor explicit memory was associated with reduced retention in the fast process, as well as the slow process. These findings suggest that explicit memory resources are a determining factor in impairments in the both the fast and slow processes for motor learning but that aging effects on the slow process are independent of explicit memory declines. Copyright © 2014 the authors 0270-6474/14/3413411-11$15.00/0.

Towards a physically-based multi-scale ecohydrological simulator for semi-arid regions

NASA Astrophysics Data System (ADS)

Caviedes-Voullième, Daniel; Josefik, Zoltan; Hinz, Christoph

2017-04-01

The use of numerical models as tools for describing and understanding complex ecohydrological systems has enabled to test hypothesis and propose fundamental, process-based explanations of the system system behaviour as a whole as well as its internal dynamics. Reaction-diffusion equations have been used to describe and generate organized pattern such as bands, spots, and labyrinths using simple feedback mechanisms and boundary conditions. Alternatively, pattern-matching cellular automaton models have been used to generate vegetation self-organization in arid and semi-arid regions also using simple description of surface hydrological processes. A key question is: How much physical realism is needed in order to adequately capture the pattern formation processes in semi-arid regions while reliably representing the water balance dynamics at the relevant time scales? In fact, redistribution of water by surface runoff at the hillslope scale occurs at temporal resolution of minutes while the vegetation development requires much lower temporal resolution and longer times spans. This generates a fundamental spatio-temporal multi-scale problem to be solved, for which high resolution rainfall and surface topography are required. Accordingly, the objective of this contribution is to provide proof-of-concept that governing processes can be described numerically at those multiple scales. The requirements for a simulating ecohydrological processes and pattern formation with increased physical realism are, amongst others: i. high resolution rainfall that adequately captures the triggers of growth as vegetation dynamics of arid regions respond as pulsed systems. ii. complex, natural topography in order to accurately model drainage patterns, as surface water redistribution is highly sensitive to topographic features. iii. microtopography and hydraulic roughness, as small scale variations do impact on large scale hillslope behaviour iv. moisture dependent infiltration as temporal dynamics of infiltration affects water storage under vegetation and in bare soil Despite the volume of research in this field, fundamental limitations still exist in the models regarding the aforementioned issues. Topography and hydrodynamics have been strongly simplified. Infiltration has been modelled as dependent on depth but independent of soil moisture. Temporal rainfall variability has only been addressed for seasonal rain. Spatial heterogenity of the topography as well as roughness and infiltration properties, has not been fully and explicitly represented. We hypothesize that physical processes must be robustly modelled and the drivers of complexity must be present with as much resolution as possible in order to provide the necessary realism to improve transient simulations, perhaps leading the way to virtual laboratories and, arguably, predictive tools. This work provides a first approach into a model with explicit hydrological processes represented by physically-based hydrodynamic models, coupled with well-accepted vegetation models. The model aims to enable new possibilities relating to spatiotemporal variability, arbitrary topography and representation of spatial heterogeneity, including sub-daily (in fact, arbitrary) temporal variability of rain as the main forcing of the model, explicit representation of infiltration processes, and various feedback mechanisms between the hydrodynamics and the vegetation. Preliminary testing strongly suggests that the model is viable, has the potential of producing new information of internal dynamics of the system, and allows to successfully aggregate many of the sources of complexity. Initial benchmarking of the model also reveals strengths to be exploited, thus providing an interesting research outlook, as well as weaknesses to be addressed in the immediate future.

Toll-Like Receptor-9-Mediated Invasion in Breast Cancer

DTIC Science & Technology

2011-07-01

Molecular Dynamics Simulations. Theoretical structural models were obtained from molecular dynamics simulations using explicit solvation by...with AMBER by MARDIGRAS. The solution structure was then derived by coupling the resulting NMR distance restraints with a molecular dynamic ...Overlay of NMR restrained structure (red) with theoretical molecular dynamic simulated annealing structure (blue). Energetic stability of the 9-mer

Collaborative Research Program on Advanced Metals and Ceramics for Armor and Anti-Armor Applications Dynamic Behavior of Non-Crystalline and Crystalline Metallic Systems

DTIC Science & Technology

2006-09-01

compression, including real-time cinematography of failure under dynamic compression, was evaluated. The results (figure 10) clearly show that the failure... art of simulations of dynamic failure and damage mechanisms. An explicit dynamic parallel code has been developed to track damage mechanisms in the

Rocket Engine Nozzle Side Load Transient Analysis Methodology: A Practical Approach

NASA Technical Reports Server (NTRS)

Shi, John J.

2005-01-01

During the development stage, in order to design/to size the rocket engine components and to reduce the risks, the local dynamic environments as well as dynamic interface loads must be defined. There are two kinds of dynamic environment, i.e. shock transients and steady-state random and sinusoidal vibration environments. Usually, the steady-state random and sinusoidal vibration environments are scalable, but the shock environments are not scalable. In other words, based on similarities only random vibration environments can be defined for a new engine. The methodology covered in this paper provides a way to predict the shock environments and the dynamic loads for new engine systems and new engine components in the early stage of new engine development or engine nozzle modifications.

A mechanistic soil biogeochemistry model with explicit representation of microbial and macrofaunal activities and nutrient cycles

NASA Astrophysics Data System (ADS)

Fatichi, Simone; Manzoni, Stefano; Or, Dani; Paschalis, Athanasios

2016-04-01

The potential of a given ecosystem to store and release carbon is inherently linked to soil biogeochemical processes. These processes are deeply connected to the water, energy, and vegetation dynamics above and belowground. Recently, it has been advocated that a mechanistic representation of soil biogeochemistry require: (i) partitioning of soil organic carbon (SOC) pools according to their functional role; (ii) an explicit representation of microbial dynamics; (iii) coupling of carbon and nutrient cycles. While some of these components have been introduced in specialized models, they have been rarely implemented in terrestrial biosphere models and tested in real cases. In this study, we combine a new soil biogeochemistry model with an existing model of land-surface hydrology and vegetation dynamics (T&C). Specifically the soil biogeochemistry component explicitly separates different litter pools and distinguishes SOC in particulate, dissolved and mineral associated fractions. Extracellular enzymes and microbial pools are explicitly represented differentiating the functional roles of bacteria, saprotrophic and mycorrhizal fungi. Microbial activity depends on temperature, soil moisture and litter or SOC stoichiometry. The activity of macrofauna is also modeled. Nutrient dynamics include the cycles of nitrogen, phosphorous and potassium. The model accounts for feedbacks between nutrient limitations and plant growth as well as for plant stoichiometric flexibility. In turn, litter input is a function of the simulated vegetation dynamics. Root exudation and export to mycorrhiza are computed based on a nutrient uptake cost function. The combined model is tested to reproduce respiration dynamics and nitrogen cycle in few sites where data were available to test plausibility of results across a range of different metrics. For instance in a Swiss grassland ecosystem, fine root, bacteria, fungal and macrofaunal respiration account for 40%, 23%, 33% and 4% of total belowground respiration, respectively. Root exudation and carbon export to mycorrhizal represent about 7% of plant Net Primary Production. The model allows exploring the temporal dynamics of respiration fluxes from the different ecosystem components and designing virtual experiments on the controls exerted by environmental variables and/or soil microbes and mycorrhizal associations on soil carbon storage, plant growth, and nutrient leaching.

Measuring Explicit Word Learning of Preschool Children: A Development Study.

PubMed

Kelley, Elizabeth Spencer

2017-08-15

The purpose of this article is to present preliminary results related to the development of a new measure of explicit word learning. The measure incorporated elements of explicit vocabulary instruction and dynamic assessment and was designed to be sensitive to differences in word learning skill and to be feasible for use in clinical settings. The explicit word learning measure included brief teaching trials and repeated fine-grained measurement of semantic knowledge and production of 3 novel words (2 verbs and 1 adjective). Preschool children (N = 23) completed the measure of explicit word learning; standardized, norm-referenced measures of expressive and receptive vocabulary; and an incidental word learning task. The measure of explicit word learning provided meaningful information about word learning. Performance on the explicit measure was related to existing vocabulary knowledge and incidental word learning. Findings from this development study indicate that further examination of the measure of explicit word learning is warranted. The measure may have the potential to identify children who are poor word learners. https://doi.org/10.23641/asha.5170738.

An isentropic compression-heated Ludweig tube transient wind tunnel

NASA Technical Reports Server (NTRS)

Magari, Patrick J.; Lagraff, John E.

1991-01-01

Theoretical development and experimental results show that the Ludweig tube with isentropic heating (LICH) transient wind tunnel described is a viable means of producing flow conditions that are suitable for a variety of experimental investigations. A complete analysis of the wave dynamics of the pump tube compression process is presented. The LICH tube operating conditions are very steady and run times are greater than those of other types of transient facilities such as shock tubes and gas tunnels. This facility is well suited for producing flow conditions that are dynamically similar to those found in a gas turbine, i.e., transonic Mach number, gas-to-wall temperature ratios of about 1.5, and Reynolds numbers greater than 10 to the 6th.

Unraveling the Primary Isomerization Dynamics in Cyanobacterial Phytochrome Cph1 with Multi-pulse Manipulations.

PubMed

Kim, Peter W; Rockwell, Nathan C; Freer, Lucy H; Chang, Che-Wei; Martin, Shelley S; Lagarias, J Clark; Larsen, Delmar S

2013-07-20

The ultrafast mechanisms underlying the initial photoisomerization (P r → Lumi-R) in the forward reaction of the cyanobacterial photoreceptor Cph1 were explored with multipulse pump-dump-probe transient spectroscopy. A recently postulated multi-population model was used to fit the transient pump-dump-probe and dump-induced depletion signals. We observed dump-induced depletion of the Lumi-R photoproduct, demonstrating that photoisomerization occurs via evolution on both the excited- and ground-state electronic surfaces. Excited-state equilibrium was not observed, as shown via the absence of a dump-induced excited-state "Le Châtelier redistribution" of excited-state populations. The importance of incorporating the inhomogeneous dynamics of Cph1 in interpreting measured transient data is discussed.

Unraveling the Primary Isomerization Dynamics in Cyanobacterial Phytochrome Cph1 with Multi-pulse Manipulations

PubMed Central

Kim, Peter W.; Rockwell, Nathan C.; Freer, Lucy H.; Chang, Che-Wei; Martin, Shelley S.; Lagarias, J. Clark; Larsen, Delmar S.

2013-01-01

The ultrafast mechanisms underlying the initial photoisomerization (Pr → Lumi-R) in the forward reaction of the cyanobacterial photoreceptor Cph1 were explored with multipulse pump-dump-probe transient spectroscopy. A recently postulated multi-population model was used to fit the transient pump-dump-probe and dump-induced depletion signals. We observed dump-induced depletion of the Lumi-R photoproduct, demonstrating that photoisomerization occurs via evolution on both the excited- and ground-state electronic surfaces. Excited-state equilibrium was not observed, as shown via the absence of a dump-induced excited-state “Le Châtelier redistribution” of excited-state populations. The importance of incorporating the inhomogeneous dynamics of Cph1 in interpreting measured transient data is discussed. PMID:24143267

Winnerless competition principle and prediction of the transient dynamics in a Lotka-Volterra model

NASA Astrophysics Data System (ADS)

Afraimovich, Valentin; Tristan, Irma; Huerta, Ramon; Rabinovich, Mikhail I.

2008-12-01

Predicting the evolution of multispecies ecological systems is an intriguing problem. A sufficiently complex model with the necessary predicting power requires solutions that are structurally stable. Small variations of the system parameters should not qualitatively perturb its solutions. When one is interested in just asymptotic results of evolution (as time goes to infinity), then the problem has a straightforward mathematical image involving simple attractors (fixed points or limit cycles) of a dynamical system. However, for an accurate prediction of evolution, the analysis of transient solutions is critical. In this paper, in the framework of the traditional Lotka-Volterra model (generalized in some sense), we show that the transient solution representing multispecies sequential competition can be reproducible and predictable with high probability.

Winnerless competition principle and prediction of the transient dynamics in a Lotka-Volterra model.

PubMed

Afraimovich, Valentin; Tristan, Irma; Huerta, Ramon; Rabinovich, Mikhail I

2008-12-01

Predicting the evolution of multispecies ecological systems is an intriguing problem. A sufficiently complex model with the necessary predicting power requires solutions that are structurally stable. Small variations of the system parameters should not qualitatively perturb its solutions. When one is interested in just asymptotic results of evolution (as time goes to infinity), then the problem has a straightforward mathematical image involving simple attractors (fixed points or limit cycles) of a dynamical system. However, for an accurate prediction of evolution, the analysis of transient solutions is critical. In this paper, in the framework of the traditional Lotka-Volterra model (generalized in some sense), we show that the transient solution representing multispecies sequential competition can be reproducible and predictable with high probability.

Direct comparison of transient radiation belt topology and dynamics in 1991 based on measurements onboard Mir space station and NOAA satellite.

PubMed

Shurshakov, V A; Huston, S L; Dachev TsP; Petrov, V M; Ivanov YuV; Semkova, J V

1998-01-01

In March 1991 the CRRES spacecraft measured a new transient radiation belt resulting from a solar proton event and subsequent geomagnetic disturbance. The presence of this belt was also noted by dosimeter-radiometers aboard the Mir space station (approx. 400 km, 51 degrees orbit) and by particle telescopes on the NOAA-10 spacecraft (850 km, 98 degrees). This event provides a unique opportunity to compare particle flux and dose measurements made by different instruments in different orbits under changing conditions. We present here a comparison of the measurements made by the different detectors. We discuss the topology and dynamics of the transient radiation belt over a period of more than one year.

Operationally Efficient Propulsion System Study (OEPSS) Data Book. Volume 8; Integrated Booster Propulsion Module (BPM) Engine Start Dynamics

NASA Technical Reports Server (NTRS)

Kemp, Victoria R.

1992-01-01

A fluid-dynamic, digital-transient computer model of an integrated, parallel propulsion system was developed for the CDC mainframe and the SUN workstation computers. Since all STME component designs were used for the integrated system, computer subroutines were written characterizing the performance and geometry of all the components used in the system, including the manifolds. Three transient analysis reports were completed. The first report evaluated the feasibility of integrated engine systems in regards to the start and cutoff transient behavior. The second report evaluated turbopump out and combined thrust chamber/turbopump out conditions. The third report presented sensitivity study results in staggered gas generator spin start and in pump performance characteristics.

Examining the equivalence of Bakamjian-Thomas mass operators in different forms of dynamics

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

Polyzou, W. N.

We discus the proof of the equivalence of relativistic quantum mechanical models based on the generalized Bakamjian-Thomas construction in all of Dirac's forms of dynamics. Explicit representations of the equivalent mass operators are given in all three of Dirac's forms of dynamics.

Effect of wall-mediated hydrodynamic fluctuations on the kinetics of a Brownian nanoparticle

NASA Astrophysics Data System (ADS)

Yu, Hsiu-Yu; Eckmann, David M.; Ayyaswamy, Portonovo S.; Radhakrishnan, Ravi

2016-12-01

The reactive flux formalism (Chandler 1978 J. Chem. Phys. 68, 2959-2970. (doi:10.1063/1.436049)) and the subsequent development of methods such as transition path sampling have laid the foundation for explicitly quantifying the rate process in terms of microscopic simulations. However, explicit methods to account for how the hydrodynamic correlations impact the transient reaction rate are missing in the colloidal literature. We show that the composite generalized Langevin equation (Yu et al. 2015 Phys. Rev. E 91, 052303. (doi:10.1103/PhysRevE.91.052303)) makes a significant step towards solving the coupled processes of molecular reactions and hydrodynamic relaxation by examining how the wall-mediated hydrodynamic memory impacts the two-stage temporal relaxation of the reaction rate for a nanoparticle transition between two bound states in the bulk, near-wall and lubrication regimes.

Transient Oscilliations in Mechanical Systems of Automatic Control with Random Parameters

NASA Astrophysics Data System (ADS)

Royev, B.; Vinokur, A.; Kulikov, G.

2018-04-01

Transient oscillations in mechanical systems of automatic control with random parameters is a relevant but insufficiently studied issue. In this paper, a modified spectral method was applied to investigate the problem. The nature of dynamic processes and the phase portraits are analyzed depending on the amplitude and frequency of external influence. It is evident from the obtained results, that the dynamic phenomena occurring in the systems with random parameters under external influence are complex, and their study requires further investigation.

Excited-state dynamics of pentacene derivatives with stable radical substituents.

PubMed

Ito, Akitaka; Shimizu, Akihiro; Kishida, Noriaki; Kawanaka, Yusuke; Kosumi, Daisuke; Hashimoto, Hideki; Teki, Yoshio

2014-06-23

The excited-state dynamics of pentacene derivatives with stable radical substituents were evaluated in detail through transient absorption measurements. The derivatives showed ultrafast formation of triplet excited state(s) in the pentacene moiety from a photoexcited singlet state through the contributions of enhanced intersystem crossing and singlet fission. Detailed kinetic analyses for the transient absorption data were conducted to quantify the excited-state characteristics of the derivatives. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Solar and interplanetary dynamics; Proceedings of the Symposium, Harvard University, Cambridge, Mass., August 27-31, 1979

NASA Technical Reports Server (NTRS)

Dryer, M. (Editor); Tandberg-Hanssen, E.

1980-01-01

The symposium focuses on solar phenomena as the source of transient events propagating through the solar system, and theoretical and observational assessments of the dynamic processes involved in these events. The topics discussed include the life history of coronal structures and fields, coronal and interplanetary responses to long time scale phenomena, solar transient phenomena affecting the corona and interplanetary medium, coronal and interplanetary responses to short time scale phenomena, and future directions.

Increased gamma band power during movement planning coincides with motor memory retrieval.

PubMed

Thürer, Benjamin; Stockinger, Christian; Focke, Anne; Putze, Felix; Schultz, Tanja; Stein, Thorsten

2016-01-15

The retrieval of motor memory requires a previous memory encoding and subsequent consolidation of the specific motor memory. Previous work showed that motor memory seems to rely on different memory components (e.g., implicit, explicit). However, it is still unknown if explicit components contribute to the retrieval of motor memories formed by dynamic adaptation tasks and which neural correlates are linked to memory retrieval. We investigated the lower and higher gamma bands of subjects' electroencephalography during encoding and retrieval of a dynamic adaptation task. A total of 24 subjects were randomly assigned to a treatment and control group. Both groups adapted to a force field A on day 1 and were re-exposed to the same force field A on day 3 of the experiment. On day 2, treatment group learned an interfering force field B whereas control group had a day rest. Kinematic analyses showed that control group improved their initial motor performance from day 1 to day 3 but treatment group did not. This behavioral result coincided with an increased higher gamma band power in the electrodes over prefrontal areas on the initial trials of day 3 for control but not treatment group. Intriguingly, this effect vanished with the subsequent re-adaptation on day 3. We suggest that improved re-test performance in a dynamic motor adaptation task is contributed by explicit memory and that gamma bands in the electrodes over the prefrontal cortex are linked to these explicit components. Furthermore, we suggest that the contribution of explicit memory vanishes with the subsequent re-adaptation while task automaticity increases. Copyright © 2015 Elsevier Inc. All rights reserved.

A self-learning rule base for command following in dynamical systems

NASA Technical Reports Server (NTRS)

Tsai, Wei K.; Lee, Hon-Mun; Parlos, Alexander

1992-01-01

In this paper, a self-learning Rule Base for command following in dynamical systems is presented. The learning is accomplished though reinforcement learning using an associative memory called SAM. The main advantage of SAM is that it is a function approximator with explicit storage of training samples. A learning algorithm patterned after the dynamic programming is proposed. Two artificially created, unstable dynamical systems are used for testing, and the Rule Base was used to generate a feedback control to improve the command following ability of the otherwise uncontrolled systems. The numerical results are very encouraging. The controlled systems exhibit a more stable behavior and a better capability to follow reference commands. The rules resulting from the reinforcement learning are explicitly stored and they can be modified or augmented by human experts. Due to overlapping storage scheme of SAM, the stored rules are similar to fuzzy rules.

Terminal Transient Phase of Chaotic Transients

NASA Astrophysics Data System (ADS)

Lilienkamp, Thomas; Parlitz, Ulrich

2018-03-01

Transient chaos in spatially extended systems can be characterized by the length of the transient phase, which typically grows quickly with the system size (supertransients). For a large class of these systems, the chaotic phase terminates abruptly, without any obvious precursors in commonly used observables. Here we investigate transient spatiotemporal chaos in two different models of this class. By probing the state space using perturbed trajectories we show the existence of a "terminal transient phase," which occurs prior to the abrupt collapse of chaotic dynamics. During this phase the impact of perturbations is significantly different from the earlier transient and particular patterns of (non)susceptible regions in state space occur close to the chaotic trajectories. We therefore hypothesize that even without perturbations proper precursors for the collapse of chaotic transients exist, which might be highly relevant for coping with spatiotemporal chaos in cardiac arrhythmias or brain functionality, for example.

On some control problems of dynamic of reactor

NASA Astrophysics Data System (ADS)

Baskakov, A. V.; Volkov, N. P.

2017-12-01

The paper analyzes controllability of the transient processes in some problems of nuclear reactor dynamics. In this case, the mathematical model of nuclear reactor dynamics is described by a system of integro-differential equations consisting of the non-stationary anisotropic multi-velocity kinetic equation of neutron transport and the balance equation of delayed neutrons. The paper defines the formulation of the linear problem on control of transient processes in nuclear reactors with application of spatially distributed actions on internal neutron sources, and the formulation of the nonlinear problems on control of transient processes with application of spatially distributed actions on the neutron absorption coefficient and the neutron scattering indicatrix. The required control actions depend on the spatial and velocity coordinates. The theorems on existence and uniqueness of these control actions are proved in the paper. To do this, the control problems mentioned above are reduced to equivalent systems of integral equations. Existence and uniqueness of the solution for this system of integral equations is proved by the method of successive approximations, which makes it possible to construct an iterative scheme for numerical analyses of transient processes in a given nuclear reactor with application of the developed mathematical model. Sufficient conditions for controllability of transient processes are also obtained. In conclusion, a connection is made between the control problems and the observation problems, which, by to the given information, allow us to reconstruct either the function of internal neutron sources, or the neutron absorption coefficient, or the neutron scattering indicatrix....

Assessment of numerical methods for the solution of fluid dynamics equations for nonlinear resonance systems

NASA Technical Reports Server (NTRS)

Przekwas, A. J.; Yang, H. Q.

1989-01-01

The capability of accurate nonlinear flow analysis of resonance systems is essential in many problems, including combustion instability. Classical numerical schemes are either too diffusive or too dispersive especially for transient problems. In the last few years, significant progress has been made in the numerical methods for flows with shocks. The objective was to assess advanced shock capturing schemes on transient flows. Several numerical schemes were tested including TVD, MUSCL, ENO, FCT, and Riemann Solver Godunov type schemes. A systematic assessment was performed on scalar transport, Burgers' and gas dynamic problems. Several shock capturing schemes are compared on fast transient resonant pipe flow problems. A system of 1-D nonlinear hyperbolic gas dynamics equations is solved to predict propagation of finite amplitude waves, the wave steepening, formation, propagation, and reflection of shocks for several hundred wave cycles. It is shown that high accuracy schemes can be used for direct, exact nonlinear analysis of combustion instability problems, preserving high harmonic energy content for long periods of time.

Cascading elastic perturbation in Japan due to the 2012 M w 8.6 Indian Ocean earthquake.

PubMed

Delorey, Andrew A; Chao, Kevin; Obara, Kazushige; Johnson, Paul A

2015-10-01

Since the discovery of extensive earthquake triggering occurring in response to the 1992 M w (moment magnitude) 7.3 Landers earthquake, it is now well established that seismic waves from earthquakes can trigger other earthquakes, tremor, slow slip, and pore pressure changes. Our contention is that earthquake triggering is one manifestation of a more widespread elastic disturbance that reveals information about Earth's stress state. Earth's stress state is central to our understanding of both natural and anthropogenic-induced crustal processes. We show that seismic waves from distant earthquakes may perturb stresses and frictional properties on faults and elastic moduli of the crust in cascading fashion. Transient dynamic stresses place crustal material into a metastable state during which the material recovers through a process termed slow dynamics. This observation of widespread, dynamically induced elastic perturbation, including systematic migration of offshore seismicity, strain transients, and velocity transients, presents a new characterization of Earth's elastic system that will advance our understanding of plate tectonics, seismicity, and seismic hazards.

Development of an Aeroelastic Modeling Capability for Transient Nozzle Side Load Analysis

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Zhao, Xiang; Zhang, Sijun; Chen, Yen-Sen

2013-01-01

Lateral nozzle forces are known to cause severe structural damage to any new rocket engine in development. Currently there is no fully coupled computational tool to analyze this fluid/structure interaction process. The objective of this study was to develop a fully coupled aeroelastic modeling capability to describe the fluid/structure interaction process during the transient nozzle operations. The aeroelastic model composes of three components: the computational fluid dynamics component based on an unstructured-grid, pressure-based computational fluid dynamics formulation, the computational structural dynamics component developed in the framework of modal analysis, and the fluid-structural interface component. The developed aeroelastic model was applied to the transient nozzle startup process of the Space Shuttle Main Engine at sea level. The computed nozzle side loads and the axial nozzle wall pressure profiles from the aeroelastic nozzle are compared with those of the published rigid nozzle results, and the impact of the fluid/structure interaction on nozzle side loads is interrogated and presented.

Optimal subinterval selection approach for power system transient stability simulation

DOE PAGES

Kim, Soobae; Overbye, Thomas J.

2015-10-21

Power system transient stability analysis requires an appropriate integration time step to avoid numerical instability as well as to reduce computational demands. For fast system dynamics, which vary more rapidly than what the time step covers, a fraction of the time step, called a subinterval, is used. However, the optimal value of this subinterval is not easily determined because the analysis of the system dynamics might be required. This selection is usually made from engineering experiences, and perhaps trial and error. This paper proposes an optimal subinterval selection approach for power system transient stability analysis, which is based on modalmore » analysis using a single machine infinite bus (SMIB) system. Fast system dynamics are identified with the modal analysis and the SMIB system is used focusing on fast local modes. An appropriate subinterval time step from the proposed approach can reduce computational burden and achieve accurate simulation responses as well. As a result, the performance of the proposed method is demonstrated with the GSO 37-bus system.« less

Open-source framework for power system transmission and distribution dynamics co-simulation

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

Huang, Renke; Fan, Rui; Daily, Jeff

The promise of the smart grid entails more interactions between the transmission and distribution networks, and there is an immediate need for tools to provide the comprehensive modelling and simulation required to integrate operations at both transmission and distribution levels. Existing electromagnetic transient simulators can perform simulations with integration of transmission and distribution systems, but the computational burden is high for large-scale system analysis. For transient stability analysis, currently there are only separate tools for simulating transient dynamics of the transmission and distribution systems. In this paper, we introduce an open source co-simulation framework “Framework for Network Co-Simulation” (FNCS), togethermore » with the decoupled simulation approach that links existing transmission and distribution dynamic simulators through FNCS. FNCS is a middleware interface and framework that manages the interaction and synchronization of the transmission and distribution simulators. Preliminary testing results show the validity and capability of the proposed open-source co-simulation framework and the decoupled co-simulation methodology.« less

Parameterization of backbone flexibility in a coarse-grained force field for proteins (COFFDROP) derived from all-atom explicit-solvent molecular dynamics simulations of all possible two-residue peptides

PubMed Central

Frembgen-Kesner, Tamara; Andrews, Casey T.; Li, Shuxiang; Ngo, Nguyet Anh; Shubert, Scott A.; Jain, Aakash; Olayiwola, Oluwatoni; Weishaar, Mitch R.; Elcock, Adrian H.

2015-01-01

Recently, we reported the parameterization of a set of coarse-grained (CG) nonbonded potential functions, derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acid pairs, and designed for use in (implicit-solvent) Brownian dynamics (BD) simulations of proteins; this force field was named COFFDROP (COarse-grained Force Field for Dynamic Representations Of Proteins). Here, we describe the extension of COFFDROP to include bonded backbone terms derived from fitting to results of explicit-solvent MD simulations of all possible two-residue peptides containing the 20 standard amino acids, with histidine modeled in both its protonated and neutral forms. The iterative Boltzmann inversion (IBI) method was used to optimize new CG potential functions for backbone-related terms by attempting to reproduce angle, dihedral and distance probability distributions generated by the MD simulations. In a simple test of the transferability of the extended force field, the angle, dihedral and distance probability distributions obtained from BD simulations of 56 three-residue peptides were compared to results from corresponding explicit-solvent MD simulations. In a more challenging test of the COFFDROP force field, it was used to simulate eight intrinsically disordered proteins and was shown to quite accurately reproduce the experimental hydrodynamic radii (Rhydro), provided that the favorable nonbonded interactions of the force field were uniformly scaled downwards in magnitude. Overall, the results indicate that the COFFDROP force field is likely to find use in modeling the conformational behavior of intrinsically disordered proteins and multi-domain proteins connected by flexible linkers. PMID:26574429

Photoinduced coherent acoustic phonon dynamics inside Mott insulator Sr2IrO4 films observed by femtosecond X-ray pulses

NASA Astrophysics Data System (ADS)

Zhang, Bing-Bing; Liu, Jian; Wei, Xu; Sun, Da-Rui; Jia, Quan-Jie; Li, Yuelin; Tao, Ye

2017-04-01

We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr2IrO4 film by femtosecond X-ray diffraction using a laser plasma-based X-ray source. The ultrafast structural dynamics of Sr2IrO4 thin films are determined by observing the shift and broadening of (0012) Bragg diffraction after excitation by 1.5 eV and 3.0 eV pump photons for films with different thicknesses. The observed transient lattice response can be well interpreted as a distinct three-step dynamics due to the propagation of coherent acoustic phonons generated by photoinduced quasiparticles (QPs). Employing a normalized phonon propagation model, we found that the photoinduced angular shifts of the Bragg peak collapse into a universal curve after introducing normalized coordinates to account for different thicknesses and pump photon energies, pinpointing the origin of the lattice distortion and its early evolution. In addition, a transient photocurrent measurement indicates that the photoinduced QPs are charge neutral excitons. Mapping the phonon propagation and correlating its dynamics with the QP by ultrafast X-ray diffraction (UXRD) establish a powerful way to study electron-phonon coupling and uncover the exotic physics in strongly correlated systems under nonequilibrium conditions.

Frequency response function-based explicit framework for dynamic identification in human-structure systems

NASA Astrophysics Data System (ADS)

Wei, Xiaojun; Živanović, Stana

2018-05-01

The aim of this paper is to propose a novel theoretical framework for dynamic identification in a structure occupied by a single human. The framework enables the prediction of the dynamics of the human-structure system from the known properties of the individual system components, the identification of human body dynamics from the known dynamics of the empty structure and the human-structure system and the identification of the properties of the structure from the known dynamics of the human and the human-structure system. The novelty of the proposed framework is the provision of closed-form solutions in terms of frequency response functions obtained by curve fitting measured data. The advantages of the framework over existing methods are that there is neither need for nonlinear optimisation nor need for spatial/modal models of the empty structure and the human-structure system. In addition, the second-order perturbation method is employed to quantify the effect of uncertainties in human body dynamics on the dynamic identification of the empty structure and the human-structure system. The explicit formulation makes the method computationally efficient and straightforward to use. A series of numerical examples and experiments are provided to illustrate the working of the method.

Unstructured grid methods for the simulation of 3D transient flows

NASA Technical Reports Server (NTRS)

Morgan, K.; Peraire, J.; Peiro, J.

1994-01-01

A description of the research work undertaken under NASA Research Grant NAGW-2962 has been given. Basic algorithmic development work, undertaken for the simulation of steady three dimensional inviscid flow, has been used as the basis for the construction of a procedure for the simulation of truly transient flows in three dimensions. To produce a viable procedure for implementation on the current generation of computers, moving boundary components are simulated by fixed boundaries plus a suitably modified boundary condition. Computational efficiency is increased by the use of an implicit time stepping scheme in which the equation system is solved by explicit multistage time stepping with multigrid acceleration. The viability of the proposed approach has been demonstrated by considering the application of the procedure to simulation of a transonic flow over an oscillating ONERA M6 wing.

Recurrence Quantification of Fractal Structures

PubMed Central

Webber, Charles L.

2012-01-01

By definition, fractal structures possess recurrent patterns. At different levels repeating patterns can be visualized at higher magnifications. The purpose of this chapter is threefold. First, general characteristics of dynamical systems are addressed from a theoretical mathematical perspective. Second, qualitative and quantitative recurrence analyses are reviewed in brief, but the reader is directed to other sources for explicit details. Third, example mathematical systems that generate strange attractors are explicitly defined, giving the reader the ability to reproduce the rich dynamics of continuous chaotic flows or discrete chaotic iterations. The challenge is then posited for the reader to study for themselves the recurrent structuring of these different dynamics. With a firm appreciation of the power of recurrence analysis, the reader will be prepared to turn their sights on real-world systems (physiological, psychological, mechanical, etc.). PMID:23060808

Structure and dynamics of human vimentin intermediate filament dimer and tetramer in explicit and implicit solvent models.

PubMed

Qin, Zhao; Buehler, Markus J

2011-01-01

Intermediate filaments, in addition to microtubules and microfilaments, are one of the three major components of the cytoskeleton in eukaryotic cells, and play an important role in mechanotransduction as well as in providing mechanical stability to cells at large stretch. The molecular structures, mechanical and dynamical properties of the intermediate filament basic building blocks, the dimer and the tetramer, however, have remained elusive due to persistent experimental challenges owing to the large size and fibrillar geometry of this protein. We have recently reported an atomistic-level model of the human vimentin dimer and tetramer, obtained through a bottom-up approach based on structural optimization via molecular simulation based on an implicit solvent model (Qin et al. in PLoS ONE 2009 4(10):e7294, 9). Here we present extensive simulations and structural analyses of the model based on ultra large-scale atomistic-level simulations in an explicit solvent model, with system sizes exceeding 500,000 atoms and simulations carried out at 20 ns time-scales. We report a detailed comparison of the structural and dynamical behavior of this large biomolecular model with implicit and explicit solvent models. Our simulations confirm the stability of the molecular model and provide insight into the dynamical properties of the dimer and tetramer. Specifically, our simulations reveal a heterogeneous distribution of the bending stiffness along the molecular axis with the formation of rather soft and highly flexible hinge-like regions defined by non-alpha-helical linker domains. We report a comparison of Ramachandran maps and the solvent accessible surface area between implicit and explicit solvent models, and compute the persistence length of the dimer and tetramer structure of vimentin intermediate filaments for various subdomains of the protein. Our simulations provide detailed insight into the dynamical properties of the vimentin dimer and tetramer intermediate filament building blocks, which may guide the development of novel coarse-grained models of intermediate filaments, and could also help in understanding assembly mechanisms.

On the contributions of diffusion and thermal activation to electron transfer between Phormidium laminosum plastocyanin and cytochrome f: Brownian dynamics simulations with explicit modeling of nonpolar desolvation interactions and electron transfer events.

PubMed

Gabdoulline, Razif R; Wade, Rebecca C

2009-07-08

The factors that determine the extent to which diffusion and thermal activation processes govern electron transfer (ET) between proteins are debated. The process of ET between plastocyanin (PC) and cytochrome f (CytF) from the cyanobacterium Phormidium laminosum was initially thought to be diffusion-controlled but later was found to be under activation control (Schlarb-Ridley, B. G.; et al. Biochemistry 2005, 44, 6232). Here we describe Brownian dynamics simulations of the diffusional association of PC and CytF, from which ET rates were computed using a detailed model of ET events that was applied to all of the generated protein configurations. The proteins were modeled as rigid bodies represented in atomic detail. In addition to electrostatic forces, which were modeled as in our previous simulations of protein-protein association, the proteins interacted by a nonpolar desolvation (hydrophobic) force whose derivation is described here. The simulations yielded close to realistic residence times of transient protein-protein encounter complexes of up to tens of microseconds. The activation barrier for individual ET events derived from the simulations was positive. Whereas the electrostatic interactions between P. laminosum PC and CytF are weak, simulations for a second cyanobacterial PC-CytF pair, that from Nostoc sp. PCC 7119, revealed ET rates influenced by stronger electrostatic interactions. In both cases, the simulations imply significant contributions to ET from both diffusion and thermal activation processes.

Computing the Rotational Diffusion of Biomolecules via Molecular Dynamics Simulation and Quaternion Orientations.

PubMed

Chen, Po-Chia; Hologne, Maggy; Walker, Olivier

2017-03-02

Rotational diffusion (D rot ) is a fundamental property of biomolecules that contains information about molecular dimensions and solute-solvent interactions. While ab initio D rot prediction can be achieved by explicit all-atom molecular dynamics simulations, this is hindered by both computational expense and limitations in water models. We propose coarse-grained force fields as a complementary solution, and show that the MARTINI force field with elastic networks is sufficient to compute D rot in >10 proteins spanning 5-157 kDa. We also adopt a quaternion-based approach that computes D rot orientation directly from autocorrelations of best-fit rotations as used in, e.g., RMSD algorithms. Over 2 μs trajectories, isotropic MARTINI+EN tumbling replicates experimental values to within 10-20%, with convergence analyses suggesting a minimum sampling of >50 × τ theor to achieve sufficient precision. Transient fluctuations in anisotropic tumbling cause decreased precision in predictions of axisymmetric anisotropy and rhombicity, the latter of which cannot be precisely evaluated within 2000 × τ theor for GB3. Thus, we encourage reporting of axial decompositions D x , D y , D z to ease comparability between experiment and simulation. Where protein disorder is absent, we observe close replication of MARTINI+EN D rot orientations versus CHARMM22*/TIP3p and experimental data. This work anticipates the ab initio prediction of NMR-relaxation by combining coarse-grained global motions with all-atom local motions.

Stochastic soil water balance under seasonal climates

PubMed Central

Feng, Xue; Porporato, Amilcare; Rodriguez-Iturbe, Ignacio

2015-01-01

The analysis of soil water partitioning in seasonally dry climates necessarily requires careful consideration of the periodic climatic forcing at the intra-annual timescale in addition to daily scale variabilities. Here, we introduce three new extensions to a stochastic soil moisture model which yields seasonal evolution of soil moisture and relevant hydrological fluxes. These approximations allow seasonal climatic forcings (e.g. rainfall and potential evapotranspiration) to be fully resolved, extending the analysis of soil water partitioning to account explicitly for the seasonal amplitude and the phase difference between the climatic forcings. The results provide accurate descriptions of probabilistic soil moisture dynamics under seasonal climates without requiring extensive numerical simulations. We also find that the transfer of soil moisture between the wet to the dry season is responsible for hysteresis in the hydrological response, showing asymmetrical trajectories in the mean soil moisture and in the transient Budyko's curves during the ‘dry-down‘ versus the ‘rewetting‘ phases of the year. Furthermore, in some dry climates where rainfall and potential evapotranspiration are in-phase, annual evapotranspiration can be shown to increase because of inter-seasonal soil moisture transfer, highlighting the importance of soil water storage in the seasonal context. PMID:25663808

Searching for protein binding sites from Molecular Dynamics simulations and paramagnetic fragment-based NMR studies.

PubMed

Bernini, Andrea; Henrici De Angelis, Lucia; Morandi, Edoardo; Spiga, Ottavia; Santucci, Annalisa; Assfalg, Michael; Molinari, Henriette; Pillozzi, Serena; Arcangeli, Annarosa; Niccolai, Neri

2014-03-01

Hotspot delineation on protein surfaces represents a fundamental step for targeting protein-protein interfaces. Disruptors of protein-protein interactions can be designed provided that the sterical features of binding pockets, including the transient ones, can be defined. Molecular Dynamics, MD, simulations have been used as a reliable framework for identifying transient pocket openings on the protein surface. Accessible surface area and intramolecular H-bond involvement of protein backbone amides are proposed as descriptors for characterizing binding pocket occurrence and evolution along MD trajectories. TEMPOL induced paramagnetic perturbations on (1)H-(15)N HSQC signals of protein backbone amides have been analyzed as a fragment-based search for surface hotspots, in order to validate MD predicted pockets. This procedure has been applied to CXCL12, a small chemokine responsible for tumor progression and proliferation. From combined analysis of MD data and paramagnetic profiles, two CXCL12 sites suitable for the binding of small molecules were identified. One of these sites is the already well characterized CXCL12 region involved in the binding to CXCR4 receptor. The other one is a transient pocket predicted by Molecular Dynamics simulations, which could not be observed from static analysis of CXCL12 PDB structures. The present results indicate how TEMPOL, instrumental in identifying this transient pocket, can be a powerful tool to delineate minor conformations which can be highly relevant in dynamic discovery of antitumoral drugs. Copyright © 2013 Elsevier B.V. All rights reserved.

Communication: Appearance of undershoots in start-up shear: Experimental findings captured by tumbling-snake dynamics

NASA Astrophysics Data System (ADS)

Stephanou, Pavlos S.; Schweizer, Thomas; Kröger, Martin

2017-04-01

Our experimental data unambiguously show (i) a damping behavior (the appearance of an undershoot following the overshoot) in the transient shear viscosity of a concentrated polymeric solution, and (ii) the absence of a corresponding behavior in the transient normal stress coefficients. Both trends are shown to be quantitatively captured by the bead-link chain kinetic theory for concentrated polymer solutions and entangled polymer melts proposed by Curtiss and Bird, supplemented by a non-constant link tension coefficient that we relate to the nematic order parameter. The observed phenomena are attributed to the tumbling behavior of the links, triggered by rotational fluctuations, on top of reptation. Using model parameters deduced from stationary data, we calculate the transient behavior of the stress tensor for this "tumbling-snake" model after startup of shear flow efficiently via simple Brownian dynamics. The unaltered method is capable of handling arbitrary homogeneous flows and has the promising capacity to improve our understanding of the transient behavior of concentrated polymer solutions.

Ultrafast dynamics and decoherence of quasiparticles in surface bands: Development of the formalism

NASA Astrophysics Data System (ADS)

Gumhalter, Branko

2005-10-01

We describe a formalism suitable for studying the ultrafast dynamics and nonadiabatic effects associated with propagation of a single electron injected into an empty band. Within the band the electron is coupled to vibrational or electronic excitations that can be modeled by bosons. The formalism is based on the application of cumulant expansion to calculations of diagonal single particle propagators that are used in the interpretations of time resolved measurements of the surface electronic structure. Second and fourth order cumulants which arise from linear coupling to bosonic excitations and give leading contributions to the renormalization of propagators are explicitly calculated in the real time domain and their properties analyzed. This approach enables the assessment of transient effects and energy transfer associated with nonadiabatic response of the system to promotion of electrons into unoccupied bands, as well as of higher order corrections to the lifetimes and energy shifts of the initial electronic states that in the adiabatic regime are obtained from Fermi’s golden rule approach or its improvements such as the GW approximation. In the form presented the formalism is particularly suitable for studying the non-Markovian evolution and ultrafast decoherence of electronic states encountered in electron spectroscopies of quasi-two-dimensional bands on metal surfaces whose descriptions are inaccessible to the approaches based on the adiabatic hypothesis. The fast convergence of the results obtained by this procedure is demonstrated for a simple model system relevant to surface problems. On the basis of this and some general properties of cumulants it is argued that in the majority of surface problems involving electron-boson interactions the ultrafast dynamics of quasiparticles is accurately described by the second order cumulant, which can be calculated with the effort not exceeding those encountered in the standard GW approximation calculations.

Characteristics of energy exchange between inter- and intramolecular degrees of freedom in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with implications for coarse-grained simulations of shock waves in polyatomic molecular crystals

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

Kroonblawd, Matthew P.; Sewell, Thomas D., E-mail: sewellt@missouri.edu; Maillet, Jean-Bernard, E-mail: jean-bernard.maillet@cea.fr

2016-02-14

In this report, we characterize the kinetics and dynamics of energy exchange between intramolecular and intermolecular degrees of freedom (DoF) in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). All-atom molecular dynamics (MD) simulations are used to obtain predictions for relaxation from certain limiting initial distributions of energy between the intra- and intermolecular DoF. The results are used to parameterize a coarse-grained Dissipative Particle Dynamics at constant Energy (DPDE) model for TATB. Each TATB molecule in the DPDE model is represented as an all-atom, rigid-molecule mesoparticle, with explicit external (molecular translational and rotational) DoF and coarse-grained implicit internal (vibrational) DoF. In addition to conserving linearmore » and angular momentum, the DPDE equations of motion conserve the total system energy provided that particles can exchange energy between their external and internal DoF. The internal temperature of a TATB molecule is calculated using an internal equation of state, which we develop here, and the temperatures of the external and internal DoF are coupled using a fluctuation-dissipation relation. The DPDE force expression requires specification of the input parameter σ that determines the rate at which energy is exchanged between external and internal DoF. We adjusted σ based on the predictions for relaxation processes obtained from MD simulations. The parameterized DPDE model was employed in large-scale simulations of shock compression of TATB. We show that the rate of energy exchange governed by σ can significantly influence the transient behavior of the system behind the shock.« less

Track dynamic behavior at rail welds at high speed

NASA Astrophysics Data System (ADS)

Xiao, Guangwen; Xiao, Xinbiao; Guo, Jun; Wen, Zefeng; Jin, Xuesong

2010-06-01

As a vehicle passing through a track with different weld irregularities, the dynamic performance of track components is investigated in detail by using a coupled vehicle-track model. In the model, the vehicle is modeled as a multi-body system with 35 degrees of freedom, and a Timoshenko beam is used to model the rails which are discretely supported by sleepers. In the track model, the sleepers are modeled as rigid bodies accounting for their vertical, lateral and rolling motions and assumed to move backward at a constant speed to simulate the vehicle running along the track at the same speed. In the study of the coupled vehicle and track dynamics, the Hertizian contact theory and the theory proposed by Shen-Hedrick-Elkins are, respectively, used to calculate normal and creep forces between the wheel and the rails. In the calculation of the normal forces, the coefficient of the normal contact stiffness is determined by transient contact condition of the wheel and rail surface. In the calculation of the creepages, the lateral, roll-over motions of the rail and the fact that the relative velocity between the wheel and rail in their common normal direction is equal to zero are simultaneously taken into account. The motion equations of the vehicle and track are solved by means of an explicit integration method, in which the rail weld irregularities are modeled as local track vertical deviations described by some ideal cosine functions. The effects of the train speed, the axle load, the wavelength and depth of the irregularities, and the weld center position in a sleeper span on the wheel-rail impact loading are analyzed. The numerical results obtained are greatly useful in the tolerance design of welded rail profile irregularity caused by hand-grinding after rail welding and track maintenances.

Characterizing a partially ordered miniprotein through folding molecular dynamics simulations: Comparison with the experimental data.

PubMed

Baltzis, Athanasios S; Glykos, Nicholas M

2016-03-01

The villin headpiece helical subdomain (HP36) is one of the best known model systems for computational studies of fast-folding all-α miniproteins. HP21 is a peptide fragment-derived from HP36-comprising only the first and second helices of the full domain. Experimental studies showed that although HP21 is mostly unfolded in solution, it does maintain some persistent native-like structure as indicated by the analysis of NMR-derived chemical shifts. Here we compare the experimental data for HP21 with the results obtained from a 15-μs long folding molecular dynamics simulation performed in explicit water and with full electrostatics. We find that the simulation is in good agreement with the experiment and faithfully reproduces the major experimental findings, namely that (a) HP21 is disordered in solution with <10% of the trajectory corresponding to transiently stable structures, (b) the most highly populated conformer is a native-like structure with an RMSD from the corresponding portion of the HP36 crystal structure of <1 Å, (c) the simulation-derived chemical shifts-over the whole length of the trajectory-are in reasonable agreement with the experiment giving reduced χ(2) values of 1.6, 1.4, and 0.8 for the Δδ(13) C(α) , Δδ(13) CO, and Δδ(13) C(β) secondary shifts, respectively (becoming 0.8, 0.7, and 0.3 when only the major peptide conformer is considered), and finally, (d) the secondary structure propensity scores are in very good agreement with the experiment and clearly indicate the higher stability of the first helix. We conclude that folding molecular dynamics simulations can be a useful tool for the structural characterization of even marginally stable peptides. © 2015 The Protein Society.

Dragging in a Dynamic Geometry Environment through the Lens of Variation

ERIC Educational Resources Information Center

Leung, Allen

2008-01-01

What makes Dynamic Geometry Environment (DGE) a powerful mathematical knowledge acquisition microworld is its ability to visually make explicit the implicit dynamism of thinking about mathematical geometrical concepts. One of DGE's powers is to equip us with the ability to retain the background of a geometrical configuration while we can…

Kinetics of Huperzine A Dissociation from Acetylcholinesterase via Multiple Unbinding Pathways.

PubMed

Rydzewski, J; Jakubowski, R; Nowak, W; Grubmüller, H

2018-06-12

The dissociation of huperzine A (hupA) from Torpedo californica acetylcholinesterase ( TcAChE) was investigated by 4 μs unbiased and biased all-atom molecular dynamics (MD) simulations in explicit solvent. We performed our study using memetic sampling (MS) for the determination of reaction pathways (RPs), metadynamics to calculate free energy, and maximum-likelihood estimation (MLE) to recover kinetic rates from unbiased MD simulations. Our simulations suggest that the dissociation of hupA occurs mainly via two RPs: a front door along the axis of the active-site gorge (pwf) and through a new transient side door (pws), i.e., formed by the Ω-loop (residues 67-94 of TcAChE). An analysis of the inhibitor unbinding along the RPs suggests that pws is opened transiently after hupA and the Ω-loop reach a low free-energy transition state characterized by the orientation of the pyridone group of the inhibitor directed toward the Ω-loop plane. Unlike pws, pwf does not require large structural changes in TcAChE to be accessible. The estimated free energies and rates agree well with available experimental data. The dissociation rates along the unbinding pathways are similar, suggesting that the dissociation of hupA along pws is likely to be relevant. This indicates that perturbations to hupA- TcAChE interactions could potentially induce pathway hopping. In summary, our results characterize the slow-onset inhibition of TcAChE by hupA, which may provide the structural and energetic bases for the rational design of the next-generation slow-onset inhibitors with optimized pharmacokinetic properties for the treatment of Alzheimer's disease.

Field enhanced charge carrier reconfiguration in electronic and ionic coupled dynamic polymer resistive memory.

PubMed

Zhao, Jun Hui; Thomson, Douglas J; Pilapil, Matt; Pillai, Rajesh G; Rahman, G M Aminur; Freund, Michael S

2010-04-02

Dynamic resistive memory devices based on a conjugated polymer composite (PPy(0)DBS(-)Li(+) (PPy: polypyrrole; DBS(-): dodecylbenzenesulfonate)), with field-driven ion migration, have been demonstrated. In this work the dynamics of these systems has been investigated and it has been concluded that increasing the applied field can dramatically increase the rate at which information can be 'written' into these devices. A conductance model using space charge limited current coupled with an electric field induced ion reconfiguration has been successfully utilized to interpret the experimentally observed transient conducting behaviors. The memory devices use the rising and falling transient current states for the storage of digital states. The magnitude of these transient currents is controlled by the magnitude and width of the write/read pulse. For the 500 nm length devices used in this work an increase in 'write' potential from 2.5 to 5.5 V decreased the time required to create a transient conductance state that can be converted into the digital signal by 50 times. This work suggests that the scaling of these devices will be favorable and that 'write' times for the conjugated polymer composite memory devices will decrease rapidly as ion driving fields increase with decreasing device size.

Transient Performance of a Vertical Axis Wind Turbine

NASA Astrophysics Data System (ADS)

Onol, Aykut; Yesilyurt, Serhat

2016-11-01

A coupled CFD/rotor dynamics modeling approach is presented for the analysis of realistic transient behavior of a height-normalized, three-straight-bladed VAWT subject to inertial effects of the rotor and generator load which is manipulated by a feedback control under standardized wind gusts. The model employs the k- ɛ turbulence model to approximate unsteady Reynolds-averaged Navier-Stokes equations and is validated with data from field measurements. As distinct from related studies, here, the angular velocity is calculated from the rotor's equation of motion; thus, the dynamic response of the rotor is taken into account. Results include the following: First, the rotor's inertia filters large amplitude oscillations in the wind torque owing to the first-order dynamics. Second, the generator and wind torques differ especially during wind transients subject to the conservation of angular momentum of the rotor. Third, oscillations of the power coefficient exceed the Betz limit temporarily due to the energy storage in the rotor, which acts as a temporary buffer that stores the kinetic energy like a flywheel in short durations. Last, average of transient power coefficients peaks at a smaller tip-speed ratio for wind gusts than steady winds. This work was supported by the Sabanci University Internal Research Grant Program (SU-IRG-985).

A Procedure for Modeling Structural Component/Attachment Failure Using Transient Finite Element Analysis

NASA Technical Reports Server (NTRS)

Lovejoy, Andrew E.; Jegley, Dawn C. (Technical Monitor)

2007-01-01

Structures often comprise smaller substructures that are connected to each other or attached to the ground by a set of finite connections. Under static loading one or more of these connections may exceed allowable limits and be deemed to fail. Of particular interest is the structural response when a connection is severed (failed) while the structure is under static load. A transient failure analysis procedure was developed by which it is possible to examine the dynamic effects that result from introducing a discrete failure while a structure is under static load. The failure is introduced by replacing a connection load history by a time-dependent load set that removes the connection load at the time of failure. The subsequent transient response is examined to determine the importance of the dynamic effects by comparing the structural response with the appropriate allowables. Additionally, this procedure utilizes a standard finite element transient analysis that is readily available in most commercial software, permitting the study of dynamic failures without the need to purchase software specifically for this purpose. The procedure is developed and explained, demonstrated on a simple cantilever box example, and finally demonstrated on a real-world example, the American Airlines Flight 587 (AA587) vertical tail plane (VTP).

On the feasibility of a transient dynamic design analysis

NASA Astrophysics Data System (ADS)

Cunniff, Patrick F.; Pohland, Robert D.

1993-05-01

The Dynamic Design Analysis Method has been used for the past 30 years as part of the Navy's efforts to shock-harden heavy shipboard equipment. This method which has been validated several times employs normal mode theory and design shock values. This report examines the degree of success that may be achieved by using simple equipment-vehicle models that produce time history responses which are equivalent to the responses that would be achieved using spectral design values employed by the Dynamic Design Analysis Method. These transient models are constructed by attaching the equipment's modal oscillators to the vehicle which is composed of rigid masses and elastic springs. Two methods have been developed for constructing these transient models. Each method generates the parameters of the vehicles so as to approximate the required damaging effects, such that the transient model is excited by an idealized impulse applied to the vehicle mass to which the equipment modal oscillators are attached. The first method called the Direct Modeling Method, is limited to equipment with at most three-degrees of freedom and the vehicle consists of a single lumped mass and spring. The Optimization Modeling Method, which is based on the simplex method for optimization, has been used successfully with a variety of vehicle models and equipment sizes.

"Hit-and-Run" transcription: de novo transcription initiated by a transient bZIP1 "hit" persists after the "run".

PubMed

Doidy, Joan; Li, Ying; Neymotin, Benjamin; Edwards, Molly B; Varala, Kranthi; Gresham, David; Coruzzi, Gloria M

2016-02-03

Dynamic transcriptional regulation is critical for an organism's response to environmental signals and yet remains elusive to capture. Such transcriptional regulation is mediated by master transcription factors (TF) that control large gene regulatory networks. Recently, we described a dynamic mode of TF regulation named "hit-and-run". This model proposes that master TF can interact transiently with a set of targets, but the transcription of these transient targets continues after the TF dissociation from the target promoter. However, experimental evidence validating active transcription of the transient TF-targets is still lacking. Here, we show that active transcription continues after transient TF-target interactions by tracking de novo synthesis of RNAs made in response to TF nuclear import. To do this, we introduced an affinity-labeled 4-thiouracil (4tU) nucleobase to specifically isolate newly synthesized transcripts following conditional TF nuclear import. Thus, we extended the TARGET system (Transient Assay Reporting Genome-wide Effects of Transcription factors) to include 4tU-labeling and named this new technology TARGET-tU. Our proof-of-principle example is the master TF Basic Leucine Zipper 1 (bZIP1), a central integrator of metabolic signaling in plants. Using TARGET-tU, we captured newly synthesized mRNAs made in response to bZIP1 nuclear import at a time when bZIP1 is no longer detectably bound to its target. Thus, the analysis of de novo transcripomics demonstrates that bZIP1 may act as a catalyst TF to initiate a transcriptional complex ("hit"), after which active transcription by RNA polymerase continues without the TF being bound to the gene promoter ("run"). Our findings provide experimental proof for active transcription of transient TF-targets supporting a "hit-and-run" mode of action. This dynamic regulatory model allows a master TF to catalytically propagate rapid and broad transcriptional responses to changes in environment. Thus, the functional read-out of de novo transcripts produced by transient TF-target interactions allowed us to capture new models for genome-wide transcriptional control.

Transversal homoclinic orbits in a transiently chaotic neural network.

PubMed

Chen, Shyan-Shiou; Shih, Chih-Wen

2002-09-01

We study the existence of snap-back repellers, hence the existence of transversal homoclinic orbits in a discrete-time neural network. Chaotic behaviors for the network system in the sense of Li and Yorke or Marotto can then be concluded. The result is established by analyzing the structures of the system and allocating suitable parameters in constructing the fixed points and their pre-images for the system. The investigation provides a theoretical confirmation on the scenario of transient chaos for the system. All the parameter conditions for the theory can be examined numerically. The numerical ranges for the parameters which yield chaotic dynamics and convergent dynamics provide significant information in the annealing process in solving combinatorial optimization problems using this transiently chaotic neural network. (c) 2002 American Institute of Physics.

Visualization of Unsteady Computational Fluid Dynamics

NASA Technical Reports Server (NTRS)

Haimes, Robert

1997-01-01

The current compute environment that most researchers are using for the calculation of 3D unsteady Computational Fluid Dynamic (CFD) results is a super-computer class machine. The Massively Parallel Processors (MPP's) such as the 160 node IBM SP2 at NAS and clusters of workstations acting as a single MPP (like NAS's SGI Power-Challenge array and the J90 cluster) provide the required computation bandwidth for CFD calculations of transient problems. If we follow the traditional computational analysis steps for CFD (and we wish to construct an interactive visualizer) we need to be aware of the following: (1) Disk space requirements. A single snap-shot must contain at least the values (primitive variables) stored at the appropriate locations within the mesh. For most simple 3D Euler solvers that means 5 floating point words. Navier-Stokes solutions with turbulence models may contain 7 state-variables. (2) Disk speed vs. Computational speeds. The time required to read the complete solution of a saved time frame from disk is now longer than the compute time for a set number of iterations from an explicit solver. Depending, on the hardware and solver an iteration of an implicit code may also take less time than reading the solution from disk. If one examines the performance improvements in the last decade or two, it is easy to see that depending on disk performance (vs. CPU improvement) may not be the best method for enhancing interactivity. (3) Cluster and Parallel Machine I/O problems. Disk access time is much worse within current parallel machines and cluster of workstations that are acting in concert to solve a single problem. In this case we are not trying to read the volume of data, but are running the solver and the solver outputs the solution. These traditional network interfaces must be used for the file system. (4) Numerics of particle traces. Most visualization tools can work upon a single snap shot of the data but some visualization tools for transient problems require dealing with time.

A numerical investigation of choked flow dynamics and its application to the triggering mechanism of long-period events at Redoubt Volcano, Alaska

USGS Publications Warehouse

Morrissey, M.M.; Chouet, B.A.

1997-01-01

We use numerical simulations of transonic flow through a crack to study the dynamics of the formation of shock waves downstream from a nozzle-like constriction inside the crack. The model solves the full set of Navier-Stokes equations in two dimensions via an explicit multifield finite difference representation. The crack walls are assumed to be perfectly rigid, and elastic coupling to the solid is not considered. The simulations demonstrate how the behavior of unsteady shock waves near the walls can produce recurring step-like pressure transients in the flow, which in turn induce resonance of the fluid-filled crack. The motion of the shock waves is governed primarily by smooth, low-amplitude pressure fluctuations at the outlet of the crack. The force induced on the walls scales with the amplitude of the shock, which is a function of the magnitude of the inlet pressure, aperture of the constriction, and thickness of the boundary layer. The applied force also scales in proportion to the spatial extent of the shock excursion, which depends on the fluctuation rate of outlet pressure. Using the source parameters of long-period (LP) events at Redoubt Volcano, Alaska, as a guide for our simulations, we infer that coupling of the shock to the walls occurs for crack inlet to outlet pressure ratios pipo > 2.31 and that the position of the shock front becomes most sensitive to outlet pressure fluctuations for flow regimes with pipo > 2.48. For such regimes, fluctuations of outlet pressure of up to ??0.5 MPa at rates up to 3 MPa/s are sufficient to induce pressure transients with magnitudes up to 12.5 MPa over 0.1-2.5 m of the walls within ???0.5 s. These flow parameters may be adequate for triggering the LP events in the precursory swarm to the December 14, 1989, eruption of Redoubt. According to the flow model the recurrence rate and amplitudes of LP events are inferred to be a manifestation of the response of a shallow hydrothermal reservoir to the sustained injection of superheated steam from a magma column roofing below this reservoir.

An Investigation of Surge in a High-Speed Centrifugal Compressor Using Digital PIV

NASA Technical Reports Server (NTRS)

Wernet, Mark P.; Bright, Michelle M.; Skoch, Gary J.

2001-01-01

Compressor stall is a catastrophic breakdown of the flow in a compressor, which con lead to a loss of engine power, large pressure transients in the inlet/nacelle, and engine flameout. The implementation of active or passive strategies for controlling rotating stall and surge can significantly extend the stable operating range of a compressor without substantially sacrificing performance. It is crucial to identify the dynamic changes occurring in the flow field prior to rotating stall and surge in order to control these events successfully. Generally, pressure transducer measurements are made to capture the transient response of a compressor prior to rotating stall. In this investigation, Digital Particle Imaging Velocimetry (DPIV) is used in conjunction with dynamic pressure transducers to capture transient velocity and pressure measurements simultaneously in the nonstationary flow field during compressor surge. DPIV is an instantaneous, planar measurement technique that is ideally suited for studying transient flow phenomena in highspeed turbomachinery and has been used previously to map the stable operating point flow field in the diffuser of a high-speed centrifugal compressor. Through the acquisition of both DPIV images and transient pressure data, the time evolution of the unsteady flow during surge is revealed.

An Investigation of Surge in a High-Speed Centrifugal Compressor Using Digital PIV

NASA Technical Reports Server (NTRS)

Wernet, Mark P.; Bright, Michelle M.; Skoch, Gary J.

2002-01-01

Compressor stall is a catastrophic breakdown of the flow in a compressor, which can lead to a loss of engine power, large pressure transients in the inlet/nacelle and engine flameout. The implementation of active or passive strategies for controlling rotating stall and surge can significantly extend the stable operating range of a compressor without substantially sacrificing performance. It is crucial to identify the dynamic changes occurring in the flow field prior to rotating stall and surge in order to successfully control these events. Generally, pressure transducer measurements are made to capture the transient response of a compressor prior to rotating stall. In this investigation, Digital Particle Imaging Velocimetry (DPIV) is used in conjunction with dynamic pressure transducers to simultaneously capture transient velocity and pressure measurements in the non-stationary flow field during compressor surge. DPIV is an instantaneous, planar measurement technique which is ideally suited for studying transient flow phenomena in high speed turbomachinery and has been used previously to successfully map the stable operating point flow field in the diffuser of a high speed centrifugal compressor. Through the acquisition of both DPIV images and transient pressure data, the time evolution of the unsteady flow during surge is revealed.

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

Zhang, Bing-Bing; Liu, Jian; Wei, Xu

We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr2IrO4 film by femtosecond X-ray diffraction using a laser plasma-based X-ray source. The ultrafast structural dynamics of Sr2IrO4 thin films are determined by observing the shift and broadening of (0012) Bragg diffraction after excitation by 1.5 eV and 3.0 eV pump photons for films with different thicknesses. The observed transient lattice response can be well interpreted as a distinct three-step dynamics due to the propagation of coherent acoustic phonons generated by photoinduced quasiparticles (QPs). Employing a normalized phonon propagation model, we found that the photoinduced angular shiftsmore » of the Bragg peak collapse into a universal curve after introducing normalizedn coordinates to account for different thicknesses and pump photon energies, pinpointing the origin of the lattice distortion and its early evolution. In addition, a transient photocurrent measurement indicates that the photoinduced QPs are charge neutral excitons. Mapping the phonon propagation and correlating its dynamics with the QP by ultrafast X-ray diffraction (UXRD) establish a powerful way to study electron-phonon coupling and uncover the exotic physics in strongly correlated systems under nonequilibrium conditions.« less

On the origin of reproducible sequential activity in neural circuits

NASA Astrophysics Data System (ADS)

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

2004-12-01

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

On the origin of reproducible sequential activity in neural circuits.

PubMed

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

2004-12-01

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

Performance analysis and dynamic modeling of a single-spool turbojet engine

NASA Astrophysics Data System (ADS)

Andrei, Irina-Carmen; Toader, Adrian; Stroe, Gabriela; Frunzulica, Florin

2017-01-01

The purposes of modeling and simulation of a turbojet engine are the steady state analysis and transient analysis. From the steady state analysis, which consists in the investigation of the operating, equilibrium regimes and it is based on appropriate modeling describing the operation of a turbojet engine at design and off-design regimes, results the performance analysis, concluded by the engine's operational maps (i.e. the altitude map, velocity map and speed map) and the engine's universal map. The mathematical model that allows the calculation of the design and off-design performances, in case of a single spool turbojet is detailed. An in house code was developed, its calibration was done for the J85 turbojet engine as the test case. The dynamic modeling of the turbojet engine is obtained from the energy balance equations for compressor, combustor and turbine, as the engine's main parts. The transient analysis, which is based on appropriate modeling of engine and its main parts, expresses the dynamic behavior of the turbojet engine, and further, provides details regarding the engine's control. The aim of the dynamic analysis is to determine a control program for the turbojet, based on the results provided by performance analysis. In case of the single-spool turbojet engine, with fixed nozzle geometry, the thrust is controlled by one parameter, which is the fuel flow rate. The design and management of the aircraft engine controls are based on the results of the transient analysis. The construction of the design model is complex, since it is based on both steady-state and transient analysis, further allowing the flight path cycle analysis and optimizations. This paper presents numerical simulations for a single-spool turbojet engine (J85 as test case), with appropriate modeling for steady-state and dynamic analysis.

Through the Immune Looking Glass: A Model for Brain Memory Strategies

PubMed Central

Sánchez-Ramón, Silvia; Faure, Florence

2016-01-01

The immune system (IS) and the central nervous system (CNS) are complex cognitive networks involved in defining the identity (self) of the individual through recognition and memory processes that enable one to anticipate responses to stimuli. Brain memory has traditionally been classified as either implicit or explicit on psychological and anatomical grounds, with reminiscences of the evolutionarily-based innate-adaptive IS responses. Beyond the multineuronal networks of the CNS, we propose a theoretical model of brain memory integrating the CNS as a whole. This is achieved by analogical reasoning between the operational rules of recognition and memory processes in both systems, coupled to an evolutionary analysis. In this new model, the hippocampus is no longer specifically ascribed to explicit memory but rather it both becomes part of the innate (implicit) memory system and tightly controls the explicit memory system. Alike the antigen presenting cells for the IS, the hippocampus would integrate transient and pseudo-specific (i.e., danger-fear) memories and would drive the formation of long-term and highly specific or explicit memories (i.e., the taste of the Proust’s madeleine cake) by the more complex and recent, evolutionarily speaking, neocortex. Experimental and clinical evidence is provided to support the model. We believe that the singularity of this model’s approximation could help to gain a better understanding of the mechanisms operating in brain memory strategies from a large-scale network perspective. PMID:26869886

Development and assessment of 30-meter pine density maps for landscape-level modeling of mountain pine beetle dynamics

Treesearch

Benjamin A. Crabb; James A. Powell; Barbara J. Bentz

2012-01-01

Forecasting spatial patterns of mountain pine beetle (MPB) population success requires spatially explicit information on host pine distribution. We developed a means of producing spatially explicit datasets of pine density at 30-m resolution using existing geospatial datasets of vegetation composition and structure. Because our ultimate goal is to model MPB population...

Dynamically induced cascading failures in power grids.

PubMed

Schäfer, Benjamin; Witthaut, Dirk; Timme, Marc; Latora, Vito

2018-05-17

Reliable functioning of infrastructure networks is essential for our modern society. Cascading failures are the cause of most large-scale network outages. Although cascading failures often exhibit dynamical transients, the modeling of cascades has so far mainly focused on the analysis of sequences of steady states. In this article, we focus on electrical transmission networks and introduce a framework that takes into account both the event-based nature of cascades and the essentials of the network dynamics. We find that transients of the order of seconds in the flows of a power grid play a crucial role in the emergence of collective behaviors. We finally propose a forecasting method to identify critical lines and components in advance or during operation. Overall, our work highlights the relevance of dynamically induced failures on the synchronization dynamics of national power grids of different European countries and provides methods to predict and model cascading failures.

Dynamic detailed model of a molten salt tower receiver, with ThermoSysPro library: Impacts of several failures or operational transients on the receiver dynamic behavior

NASA Astrophysics Data System (ADS)

Hefni, Baligh El; Bourdil, Charles

2017-06-01

Molten salt technology represents nowadays the most cost-effective technology for electricity generation for solar power plant. The molten salt tower receiver is based on a field of individually sun-tracking mirrors (heliostats) that reflect the incident sunshine to a receiver at the top of a centrally located tower. The objective of this study is to assess the impact of several transients issued from different scenarios (failure or normal operation mode) on the receiver dynamic behavior. A dynamic detailed model of Solar Two molten salt central receiver has been developed. The component model is meant to be used for receiver modeling with the ThermoSysPro library, developed by EDF. The paper also gives the results of the dynamic simulation for the selected scenarios on Solar Two receiver.

Interaction quench dynamics in the Kondo model in the presence of a local magnetic field.

PubMed

Heyl, M; Kehrein, S

2010-09-01

In this work we investigate the quench dynamics in the Kondo model on the Toulouse line in the presence of a local magnetic field. It is shown that this setup can be realized by either applying the local magnetic field directly or by preparing the system in a macroscopically spin-polarized initial state. In the latter case, the magnetic field results from a subtlety in applying the bosonization technique where terms that are usually referred to as finite-size corrections become important in the present non-equilibrium setting. The transient dynamics are studied by analyzing exact analytical results for the local spin dynamics. The timescale for the relaxation of the local dynamical quantities turns out to be exclusively determined by the Kondo scale. In the transient regime, one observes damped oscillations in the local correlation functions with a frequency set by the magnetic field.

Implicit-Explicit Time Integration Methods for Non-hydrostatic Atmospheric Models

NASA Astrophysics Data System (ADS)

Gardner, D. J.; Guerra, J. E.; Hamon, F. P.; Reynolds, D. R.; Ullrich, P. A.; Woodward, C. S.

2016-12-01

The Accelerated Climate Modeling for Energy (ACME) project is developing a non-hydrostatic atmospheric dynamical core for high-resolution coupled climate simulations on Department of Energy leadership class supercomputers. An important factor in computational efficiency is avoiding the overly restrictive time step size limitations of fully explicit time integration methods due to the stiffest modes present in the model (acoustic waves). In this work we compare the accuracy and performance of different Implicit-Explicit (IMEX) splittings of the non-hydrostatic equations and various Additive Runge-Kutta (ARK) time integration methods. Results utilizing the Tempest non-hydrostatic atmospheric model and the ARKode package show that the choice of IMEX splitting and ARK scheme has a significant impact on the maximum stable time step size as well as solution quality. Horizontally Explicit Vertically Implicit (HEVI) approaches paired with certain ARK methods lead to greatly improved runtimes. With effective preconditioning IMEX splittings that incorporate some implicit horizontal dynamics can be competitive with HEVI results. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-699187

Gate frequency sweep: An effective method to evaluate the dynamic performance of AlGaN/GaN power heterojunction field effect transistors

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

Santi, C. de; Meneghini, M., E-mail: matteo.meneghini@dei.unipd.it; Meneghesso, G.

2014-08-18

With this paper we propose a test method for evaluating the dynamic performance of GaN-based transistors, namely, gate-frequency sweep measurements: the effectiveness of the method is verified by characterizing the dynamic performance of Gate Injection Transistors. We demonstrate that this method can provide an effective description of the impact of traps on the transient performance of Heterojunction Field Effect Transistors, and information on the properties (activation energy and cross section) of the related defects. Moreover, we discuss the relation between the results obtained by gate-frequency sweep measurements and those collected by conventional drain current transients and double pulse characterization.

Free energy landscapes of small peptides in an implicit solvent model determined by force-biased multicanonical molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Watanabe, Yukihisa S.; Kim, Jae Gil; Fukunishi, Yoshifumi; Nakamura, Haruki

2004-12-01

In order to investigate whether the implicit solvent (GB/SA) model could reproduce the free energy landscapes of peptides, the potential of mean forces (PMFs) of eight tripeptides was examined and compared with the PMFs of the explicit water model. The force-biased multicanonical molecular dynamics method was used for the enhanced conformational sampling. Consequently, the GB/SA model reproduced almost all the global and local minima in the PMFs observed with the explicit water model. However, the GB/SA model overestimated frequencies of the structures that are stabilized by intra-peptide hydrogen bonds.

Distinguishing linear, nonlinear, transient and persistent vegetation dynamics to characterize empirical signatures of ecological resilience

USDA-ARS?s Scientific Manuscript database

Background/Question/Methods To characterize and interpret ecological resilience and state change is a fundamental question in ecology. In the same ecosystem, across different communities, one can encounter relative stability, abrupt directional shifts, transient reversible change, as well as nondire...

Towards a Molecular Movie: Real Time Observation of Hydrogen Bond Breaking by Transient 2D-IR Spectroscopy in a Cyclic Peptide

NASA Astrophysics Data System (ADS)

Kolano, Christoph; Helbing, Jan; Sander, Wolfram; Hamm, Peter

Transient two-dimensional infrared spectroscopy (T2D-IR) has been used to observe in real time the non-equilibrium structural dynamics of intramolecular hydrogen bond breaking in a small cyclic disulfide-bridged peptide.

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

Savich, A. I.; Bugaevskii, A. G., E-mail: office@geodyn.ru, E-mail: bugaevskiy@geodyn.ru

Functional dependencies are established for the characteristics of seismic transients recorded at various points of a studied site, which are used to propose a new approach to seismic microzonation (SMZ) that enables the creation of new SMZ maps of strong seismic motion, with due regard for dynamic parameters of recorded transients during weak earthquakes.

AN INDIVIDUAL-BASED MODEL OF COTTUS POPULATION DYNAMICS

EPA Science Inventory

We explored population dynamics of a southern Appalachian population of Cottus bairdi using a spatially-explicit, individual-based model. The model follows daily growth, mortality, and spawning of individuals as a function of flow and temperature. We modeled movement of juveniles...

The time course of explicit and implicit categorization.

PubMed

Smith, J David; Zakrzewski, Alexandria C; Herberger, Eric R; Boomer, Joseph; Roeder, Jessica L; Ashby, F Gregory; Church, Barbara A

2015-10-01

Contemporary theory in cognitive neuroscience distinguishes, among the processes and utilities that serve categorization, explicit and implicit systems of category learning that learn, respectively, category rules by active hypothesis testing or adaptive behaviors by association and reinforcement. Little is known about the time course of categorization within these systems. Accordingly, the present experiments contrasted tasks that fostered explicit categorization (because they had a one-dimensional, rule-based solution) or implicit categorization (because they had a two-dimensional, information-integration solution). In Experiment 1, participants learned categories under unspeeded or speeded conditions. In Experiment 2, they applied previously trained category knowledge under unspeeded or speeded conditions. Speeded conditions selectively impaired implicit category learning and implicit mature categorization. These results illuminate the processing dynamics of explicit/implicit categorization.

Analysis and testing of a space crane articulating joint testbed

NASA Technical Reports Server (NTRS)

Sutter, Thomas R.; Wu, K. Chauncey

1992-01-01

The topics are presented in viewgraph form and include: space crane concept with mobile base; mechanical versus structural articulating joint; articulating joint test bed and reference truss; static and dynamic characterization completed for space crane reference truss configuration; improved linear actuators reduce articulating joint test bed backlash; 1-DOF space crane slew maneuver; boom 2 tip transient response finite element dynamic model; boom 2 tip transient response shear-corrected component modes torque driver profile; peak root member force vs. slew time torque driver profile; and open loop control of space crane motion.

TEMPEST: A computer code for three-dimensional analysis of transient fluid dynamics

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

Fort, J.A.

TEMPEST (Transient Energy Momentum and Pressure Equations Solutions in Three dimensions) is a powerful tool for solving engineering problems in nuclear energy, waste processing, chemical processing, and environmental restoration because it analyzes and illustrates 3-D time-dependent computational fluid dynamics and heat transfer analysis. It is a family of codes with two primary versions, a N- Version (available to public) and a T-Version (not currently available to public). This handout discusses its capabilities, applications, numerical algorithms, development status, and availability and assistance.

Kinetically Controlled Lifetimes in Redox-Responsive Transient Supramolecular Hydrogels.

PubMed

Wojciechowski, Jonathan P; Martin, Adam D; Thordarson, Pall

2018-02-28

It remains challenging to program soft materials to show dynamic, tunable time-dependent properties. In this work, we report a strategy to design transient supramolecular hydrogels based on kinetic control of competing reactions. Specifically, the pH-triggered self-assembly of a redox-active supramolecular gelator, N,N'-dibenzoyl-l-cystine (DBC) in the presence of a reducing agent, which acts to disassemble the system. The lifetimes of the transient hydrogels can be tuned simply by pH or reducing agent concentration. We find through kinetic analysis that gel formation hinders the ability of the reducing agent and enables longer transient hydrogel lifetimes than would be predicted. The transient hydrogels undergo clean cycles, with no kinetically trapped aggregates observed. As a result, multiple transient hydrogel cycles are demonstrated and can be predicted. This work contributes to our understanding of designing transient assemblies with tunable temporal control.

A Wide Dynamic Range Tapped Linear Array Image Sensor

NASA Astrophysics Data System (ADS)

Washkurak, William D.; Chamberlain, Savvas G.; Prince, N. Daryl

1988-08-01

Detectors for acousto-optic signal processing applications require fast transient response as well as wide dynamic range. There are two major choices of detectors: conductive or integration mode. Conductive mode detectors have an initial transient period before they reach then' i equilibrium state. The duration of 1 his period is dependent on light level as well as detector capacitance. At low light levels a conductive mode detector is very slow; response time is typically on the order of milliseconds. Generally. to obtain fast transient response an integrating mode detector is preferred. With integrating mode detectors. the dynamic range is determined by the charge storage capability of the tran-sport shift registers and the noise level of the image sensor. The conventional net hod used to improve dynamic range is to increase the shift register charge storage capability. To achieve a dynamic range of fifty thousand assuming two hundred noise equivalent electrons, a charge storage capability of ten million electrons would be required. In order to accommodate this amount of charge. unrealistic shift registers widths would be required. Therefore, with an integrating mode detector it is difficult to achieve a dynamic range of over four orders of magnitude of input light intensity. Another alternative is to solve the problem at the photodetector aml not the shift, register. DALSA's wide dynamic range detector utilizes an optimized, ion implant doped, profiled MOSFET photodetector specifically designed for wide dynamic range. When this new detector operates at high speed and at low light levels the photons are collected and stored in an integrating fashion. However. at bright light levels where transient periods are short, the detector switches into a conductive mode. The light intensity is logarithmically compressed into small charge packets, easily carried by the CCD shift register. As a result of the logarithmic conversion, dynamic ranges of over six orders of magnitide are obtained. To achieve the short integration times necessary in acousto-optic applications. t he wide dynamic range detector has been implemented into a tapped array architecture with eight outputs and 256 photoelements. Operation of each 01)1,1)111 at 16 MHz yields detector integration times of 2 micro-seconds. Buried channel two phase CCD shift register technology is utilized to minimize image sensor noise improve video output rates and increase ease of operation.

Exploring the temporal dynamics of sustained and transient spatial attention using steady-state visual evoked potentials.

PubMed

Zhang, Dan; Hong, Bo; Gao, Shangkai; Röder, Brigitte

2017-05-01

While the behavioral dynamics as well as the functional network of sustained and transient attention have extensively been studied, their underlying neural mechanisms have most often been investigated in separate experiments. In the present study, participants were instructed to perform an audio-visual spatial attention task. They were asked to attend to either the left or the right hemifield and to respond to deviant transient either auditory or visual stimuli. Steady-state visual evoked potentials (SSVEPs) elicited by two task irrelevant pattern reversing checkerboards flickering at 10 and 15 Hz in the left and the right hemifields, respectively, were used to continuously monitor the locus of spatial attention. The amplitude and phase of the SSVEPs were extracted for single trials and were separately analyzed. Sustained attention to one hemifield (spatial attention) as well as to the auditory modality (intermodal attention) increased the inter-trial phase locking of the SSVEP responses, whereas briefly presented visual and auditory stimuli decreased the single-trial SSVEP amplitude between 200 and 500 ms post-stimulus. This transient change of the single-trial amplitude was restricted to the SSVEPs elicited by the reversing checkerboard in the spatially attended hemifield and thus might reflect a transient re-orienting of attention towards the brief stimuli. Thus, the present results demonstrate independent, but interacting neural mechanisms of sustained and transient attentional orienting.

Dynamic Divisive Normalization Predicts Time-Varying Value Coding in Decision-Related Circuits

PubMed Central

LoFaro, Thomas; Webb, Ryan; Glimcher, Paul W.

2014-01-01

Normalization is a widespread neural computation, mediating divisive gain control in sensory processing and implementing a context-dependent value code in decision-related frontal and parietal cortices. Although decision-making is a dynamic process with complex temporal characteristics, most models of normalization are time-independent and little is known about the dynamic interaction of normalization and choice. Here, we show that a simple differential equation model of normalization explains the characteristic phasic-sustained pattern of cortical decision activity and predicts specific normalization dynamics: value coding during initial transients, time-varying value modulation, and delayed onset of contextual information. Empirically, we observe these predicted dynamics in saccade-related neurons in monkey lateral intraparietal cortex. Furthermore, such models naturally incorporate a time-weighted average of past activity, implementing an intrinsic reference-dependence in value coding. These results suggest that a single network mechanism can explain both transient and sustained decision activity, emphasizing the importance of a dynamic view of normalization in neural coding. PMID:25429145

Simulating the effects of the southern pine beetle on regional dynamics 60 years into the future

Treesearch

Jennifer K. Costanza; Jiri Hulcr; Frank H. Koch; Todd Earnhardt; Alexa J. McKerrow; Rob R. Dunn; Jaime A. Collazo

2012-01-01

We developed a spatially explicit model that simulated future southern pine beetle (Dendroctonus frontalis, SPB) dynamics and pine forest management for a real landscape over 60 years to inform regional forest management. The SPB has a considerable effect on forest dynamics in the Southeastern United States, especially in loblolly pine (...

A Novel Approach to Teaching and Understanding Transformations of Matter in Dynamic Earth Systems

ERIC Educational Resources Information Center

Clark, Scott K.; Sibley, Duncan F.; Libarkin, Julie C.; Heidemann, Merle

2009-01-01

The need to engage K-12 and post-secondary students in considering the Earth as a dynamic system requires explicit discussion of system characteristics. Fundamentally, dynamic systems involve the movement and change of matter, often through processes that are difficult to see and comprehend. We introduce a novel instructional method, termed…

A DYNAMIC MODEL OF AN ESTUARINE INVASION BY A NON-NATIVE SEAGRASS

EPA Science Inventory

Mathematical and simulation models provide an excellent tool for examining and predicting biological invasions in time and space; however, traditional models do not incorporate dynamic rates of population growth, which limits their realism. We developed a spatially explicit simul...

Low-dimensional modelling of a transient cylinder wake using double proper orthogonal decomposition

NASA Astrophysics Data System (ADS)

Siegel, Stefan G.; Seidel, J.?Rgen; Fagley, Casey; Luchtenburg, D. M.; Cohen, Kelly; McLaughlin, Thomas

For the systematic development of feedback flow controllers, a numerical model that captures the dynamic behaviour of the flow field to be controlled is required. This poses a particular challenge for flow fields where the dynamic behaviour is nonlinear, and the governing equations cannot easily be solved in closed form. This has led to many versions of low-dimensional modelling techniques, which we extend in this work to represent better the impact of actuation on the flow. For the benchmark problem of a circular cylinder wake in the laminar regime, we introduce a novel extension to the proper orthogonal decomposition (POD) procedure that facilitates mode construction from transient data sets. We demonstrate the performance of this new decomposition by applying it to a data set from the development of the limit cycle oscillation of a circular cylinder wake simulation as well as an ensemble of transient forced simulation results. The modes obtained from this decomposition, which we refer to as the double POD (DPOD) method, correctly track the changes of the spatial modes both during the evolution of the limit cycle and when forcing is applied by transverse translation of the cylinder. The mode amplitudes, which are obtained by projecting the original data sets onto the truncated DPOD modes, can be used to construct a dynamic mathematical model of the wake that accurately predicts the wake flow dynamics within the lock-in region at low forcing amplitudes. This low-dimensional model, derived using nonlinear artificial neural network based system identification methods, is robust and accurate and can be used to simulate the dynamic behaviour of the wake flow. We demonstrate this ability not just for unforced and open-loop forced data, but also for a feedback-controlled simulation that leads to a 90% reduction in lift fluctuations. This indicates the possibility of constructing accurate dynamic low-dimensional models for feedback control by using unforced and transient forced data only.

STEADY STATE MODELING OF THE MINIMUM CRITICAL CORE OF THE TRANSIENT REACTOR TEST FACILITY

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

Anthony L. Alberti; Todd S. Palmer; Javier Ortensi

2016-05-01

With the advent of next generation reactor systems and new fuel designs, the U.S. Department of Energy (DOE) has identified the need for the resumption of transient testing of nuclear fuels. The DOE has decided that the Transient Reactor Test Facility (TREAT) at Idaho National Laboratory (INL) is best suited for future testing. TREAT is a thermal neutron spectrum, air-cooled, nuclear test facility that is designed to test nuclear fuels in transient scenarios. These specific scenarios range from simple temperature transients to full fuel melt accidents. DOE has expressed a desire to develop a simulation capability that will accurately modelmore » the experiments before they are irradiated at the facility. It is the aim for this capability to have an emphasis on effective and safe operation while minimizing experimental time and cost. The multi physics platform MOOSE has been selected as the framework for this project. The goals for this work are to identify the fundamental neutronics properties of TREAT and to develop an accurate steady state model for future multiphysics transient simulations. In order to minimize computational cost, the effect of spatial homogenization and angular discretization are investigated. It was found that significant anisotropy is present in TREAT assemblies and to capture this effect, explicit modeling of cooling channels and inter-element gaps is necessary. For this modeling scheme, single element calculations at 293 K gave power distributions with a root mean square difference of 0.076% from those of reference SERPENT calculations. The minimum critical core configuration with identical gap and channel treatment at 293 K resulted in a root mean square, total core, radial power distribution 2.423% different than those of reference SERPENT solutions.« less

Dynamic risk control by human nucleus accumbens

PubMed Central

Lopez-Sosa, Fernando; Gonzalez-Rosa, Javier Jesus; Galarza, Ana; Avecillas, Josue; Pineda-Pardo, Jose Angel; Lopez-Ibor, Juan José; Reneses, Blanca; Barcia, Juan Antonio

2015-01-01

Real-world decisions about reward often involve a complex counterbalance of risk and value. Although the nucleus accumbens has been implicated in the underlying neural substrate, its criticality to human behaviour remains an open question, best addressed with interventional methodology that probes the behavioural consequences of focal neural modulation. Combining a psychometric index of risky decision-making with transient electrical modulation of the nucleus accumbens, here we reveal profound, highly dynamic alteration of the relation between probability of reward and choice during therapeutic deep brain stimulation in four patients with treatment-resistant psychiatric disease. Short-lived phasic electrical stimulation of the region of the nucleus accumbens dynamically altered risk behaviour, transiently shifting the psychometric function towards more risky decisions only for the duration of stimulation. A critical, on-line role of human nucleus accumbens in dynamic risk control is thereby established. PMID:26428667

Minimizing transient influence in WHPA delineation: An optimization approach for optimal pumping rate schemes

NASA Astrophysics Data System (ADS)

Rodriguez-Pretelin, A.; Nowak, W.

2017-12-01

For most groundwater protection management programs, Wellhead Protection Areas (WHPAs) have served as primarily protection measure. In their delineation, the influence of time-varying groundwater flow conditions is often underestimated because steady-state assumptions are commonly made. However, it has been demonstrated that temporary variations lead to significant changes in the required size and shape of WHPAs. Apart from natural transient groundwater drivers (e.g., changes in the regional angle of flow direction and seasonal natural groundwater recharge), anthropogenic causes such as transient pumping rates are of the most influential factors that require larger WHPAs. We hypothesize that WHPA programs that integrate adaptive and optimized pumping-injection management schemes can counter transient effects and thus reduce the additional areal demand in well protection under transient conditions. The main goal of this study is to present a novel management framework that optimizes pumping schemes dynamically, in order to minimize the impact triggered by transient conditions in WHPA delineation. For optimizing pumping schemes, we consider three objectives: 1) to minimize the risk of pumping water from outside a given WHPA, 2) to maximize the groundwater supply and 3) to minimize the involved operating costs. We solve transient groundwater flow through an available transient groundwater and Lagrangian particle tracking model. The optimization problem is formulated as a dynamic programming problem. Two different optimization approaches are explored: I) the first approach aims for single-objective optimization under objective (1) only. The second approach performs multiobjective optimization under all three objectives where compromise pumping rates are selected from the current Pareto front. Finally, we look for WHPA outlines that are as small as possible, yet allow the optimization problem to find the most suitable solutions.

Explicit Low-Thrust Guidance for Reference Orbit Targeting

NASA Technical Reports Server (NTRS)

Lam, Try; Udwadia, Firdaus E.

2013-01-01

The problem of a low-thrust spacecraft controlled to a reference orbit is addressed in this paper. A simple and explicit low-thrust guidance scheme with constrained thrust magnitude is developed by combining the fundamental equations of motion for constrained systems from analytical dynamics with a Lyapunov-based method. Examples are given for a spacecraft controlled to a reference trajectory in the circular restricted three body problem.

Robust Transient Dynamics and Brain Functions

PubMed Central

Rabinovich, Mikhail I.; Varona, Pablo

2011-01-01

In the last few decades several concepts of dynamical systems theory (DST) have guided psychologists, cognitive scientists, and neuroscientists to rethink about sensory motor behavior and embodied cognition. A critical step in the progress of DST application to the brain (supported by modern methods of brain imaging and multi-electrode recording techniques) has been the transfer of its initial success in motor behavior to mental function, i.e., perception, emotion, and cognition. Open questions from research in genetics, ecology, brain sciences, etc., have changed DST itself and lead to the discovery of a new dynamical phenomenon, i.e., reproducible and robust transients that are at the same time sensitive to informational signals. The goal of this review is to describe a new mathematical framework – heteroclinic sequential dynamics – to understand self-organized activity in the brain that can explain certain aspects of robust itinerant behavior. Specifically, we discuss a hierarchy of coarse-grain models of mental dynamics in the form of kinetic equations of modes. These modes compete for resources at three levels: (i) within the same modality, (ii) among different modalities from the same family (like perception), and (iii) among modalities from different families (like emotion and cognition). The analysis of the conditions for robustness, i.e., the structural stability of transient (sequential) dynamics, give us the possibility to explain phenomena like the finite capacity of our sequential working memory – a vital cognitive function –, and to find specific dynamical signatures – different kinds of instabilities – of several brain functions and mental diseases. PMID:21716642

Investigation of transient thermal dissipation in thinned LSI for advanced packaging

NASA Astrophysics Data System (ADS)

Araga, Yuuki; Shimamoto, Haruo; Melamed, Samson; Kikuchi, Katsuya; Aoyagi, Masahiro

2018-04-01

Thinning of LSI is necessary for superior form factor and performance in dense cutting-edge packaging technologies. At the same time, degradation of thermal characteristics caused by the steep thermal gradient on LSIs with thinned base silicon is a concern. To manage a thermal environment in advanced packages, thermal characteristics of the thinned LSIs must be clarified. In this study, static and dynamic thermal dissipations were analyzed before and after thinning silicon to determine variations of thermal characteristics in thinned LSI. Measurement results revealed that silicon thinning affects dynamic thermal characteristics as well as static one. The transient variations of thermal characteristics of thinned LSI are precisely verified by analysis using an equivalent model based on the thermal network method. The results of analysis suggest that transient thermal characteristics can be easily estimated by employing the equivalent model.

Dynamic recruitment of resting state sub-networks

PubMed Central

O'Neill, George C.; Bauer, Markus; Woolrich, Mark W.; Morris, Peter G.; Barnes, Gareth R.; Brookes, Matthew J.

2015-01-01

Resting state networks (RSNs) are of fundamental importance in human systems neuroscience with evidence suggesting that they are integral to healthy brain function and perturbed in pathology. Despite rapid progress in this area, the temporal dynamics governing the functional connectivities that underlie RSN structure remain poorly understood. Here, we present a framework to help further our understanding of RSN dynamics. We describe a methodology which exploits the direct nature and high temporal resolution of magnetoencephalography (MEG). This technique, which builds on previous work, extends from solving fundamental confounds in MEG (source leakage) to multivariate modelling of transient connectivity. The resulting processing pipeline facilitates direct (electrophysiological) measurement of dynamic functional networks. Our results show that, when functional connectivity is assessed in small time windows, the canonical sensorimotor network can be decomposed into a number of transiently synchronising sub-networks, recruitment of which depends on current mental state. These rapidly changing sub-networks are spatially focal with, for example, bilateral primary sensory and motor areas resolved into two separate sub-networks. The likely interpretation is that the larger canonical sensorimotor network most often seen in neuroimaging studies reflects only a temporal aggregate of these transient sub-networks. Our approach opens new frontiers to study RSN dynamics, showing that MEG is capable of revealing the spatial, temporal and spectral signature of the human connectome in health and disease. PMID:25899137

Testing the Use of Implicit Solvent in the Molecular Dynamics Modelling of DNA Flexibility

NASA Astrophysics Data System (ADS)

Mitchell, J.; Harris, S.

DNA flexibility controls packaging, looping and in some cases sequence specific protein binding. Molecular dynamics simulations carried out with a computationally efficient implicit solvent model are potentially a powerful tool for studying larger DNA molecules than can be currently simulated when water and counterions are represented explicitly. In this work we compare DNA flexibility at the base pair step level modelled using an implicit solvent model to that previously determined from explicit solvent simulations and database analysis. Although much of the sequence dependent behaviour is preserved in implicit solvent, the DNA is considerably more flexible when the approximate model is used. In addition we test the ability of the implicit solvent to model stress induced DNA disruptions by simulating a series of DNA minicircle topoisomers which vary in size and superhelical density. When compared with previously run explicit solvent simulations, we find that while the levels of DNA denaturation are similar using both computational methodologies, the specific structural form of the disruptions is different.

Transients control in Raman fiber amplifiers

NASA Astrophysics Data System (ADS)

Freitas, Marcio; Givigi, Sidney N., Jr.; Klein, Jackson; Calmon, Luiz C.; de Almeida, Ailson R.

2004-11-01

Raman fiber amplifiers (RFA) are being used in optical transmission communication systems in the recent years due to their advantages in comparison to erbium-doped fiber amplifiers (EDFA). Recently the analysis of RFAs dynamic response and transients control has become important in order to predict the system response to add/drop of channels or cable cuts in optical systems, and avoid impairments caused by the power transients. Fast signal power transients in the surviving channels are caused by the cross-gain saturation effect in RFA and the slope of the gain saturation characteristics determines the steady-state surviving channel power excursion. We are presenting the modeling and analysis of power transients and its control using a pump control method for a single and multi-pump scheme.

Radiation from a space charge dominated linear electron beam

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

Biswas, Debabrata

2008-01-15

It is commonly known that radiation loss in linear beam transport is largely unimportant. For a space charge dominated linear beam, however, radiation power loss can be an appreciable fraction of the injected beam power [Biswas, Kumar, and Puri, Phys. Plasmas 14, 094702 (2007)]. Exploring this further, the electromagnetic nature of radiation due to the passage of a space charge dominated electron beam in a 'closed' drift tube is explicitly demonstrated by identifying the cavity modes where none existed prior to beam injection. It is further shown that even in an 'open' drift tube from which radiation may leak, themore » modes that escape contribute to the time variation of the electric and magnetic fields in the transient phase. As the window opening increases, the oscillatory transient phase disappears altogether. However, the 'bouncing ball' modes survive and can be observed between the injection and collection plates.« less

Interactive controls of herbivory and fluvial dynamics on landscape vegetation patterns on the Tanana River floodplain, interior Alaska.

Treesearch

Lem G. Butler; Knut Kielland; T. Scott Rupp; Thomas A. Hanley

2007-01-01

We examined the interactive effects of mammalian herbivory and fluvial dynamics on vegetation dynamics and composition along the Tanana River in interior Alaska between Fairbanks and Manley Hot Springs. We used a spatially explicit model of landscape dynamics (ALFRESCO) to simulate vegetation changes on a 1-year time-step. The model was run for 250 years and was...

An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics.

PubMed

Armen, Roger S; Chen, Jianhan; Brooks, Charles L

2009-10-13

Incorporating receptor flexibility into molecular docking should improve results for flexible proteins. However, the incorporation of explicit all-atom flexibility with molecular dynamics for the entire protein chain may also introduce significant error and "noise" that could decrease docking accuracy and deteriorate the ability of a scoring function to rank native-like poses. We address this apparent paradox by comparing the success of several flexible receptor models in cross-docking and multiple receptor ensemble docking for p38α mitogen-activated protein (MAP) kinase. Explicit all-atom receptor flexibility has been incorporated into a CHARMM-based molecular docking method (CDOCKER) using both molecular dynamics (MD) and torsion angle molecular dynamics (TAMD) for the refinement of predicted protein-ligand binding geometries. These flexible receptor models have been evaluated, and the accuracy and efficiency of TAMD sampling is directly compared to MD sampling. Several flexible receptor models are compared, encompassing flexible side chains, flexible loops, multiple flexible backbone segments, and treatment of the entire chain as flexible. We find that although including side chain and some backbone flexibility is required for improved docking accuracy as expected, docking accuracy also diminishes as additional and unnecessary receptor flexibility is included into the conformational search space. Ensemble docking results demonstrate that including protein flexibility leads to to improved agreement with binding data for 227 active compounds. This comparison also demonstrates that a flexible receptor model enriches high affinity compound identification without significantly increasing the number of false positives from low affinity compounds.

An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics

PubMed Central

Armen, Roger S.; Chen, Jianhan; Brooks, Charles L.

2009-01-01

Incorporating receptor flexibility into molecular docking should improve results for flexible proteins. However, the incorporation of explicit all-atom flexibility with molecular dynamics for the entire protein chain may also introduce significant error and “noise” that could decrease docking accuracy and deteriorate the ability of a scoring function to rank native-like poses. We address this apparent paradox by comparing the success of several flexible receptor models in cross-docking and multiple receptor ensemble docking for p38α mitogen-activated protein (MAP) kinase. Explicit all-atom receptor flexibility has been incorporated into a CHARMM-based molecular docking method (CDOCKER) using both molecular dynamics (MD) and torsion angle molecular dynamics (TAMD) for the refinement of predicted protein-ligand binding geometries. These flexible receptor models have been evaluated, and the accuracy and efficiency of TAMD sampling is directly compared to MD sampling. Several flexible receptor models are compared, encompassing flexible side chains, flexible loops, multiple flexible backbone segments, and treatment of the entire chain as flexible. We find that although including side chain and some backbone flexibility is required for improved docking accuracy as expected, docking accuracy also diminishes as additional and unnecessary receptor flexibility is included into the conformational search space. Ensemble docking results demonstrate that including protein flexibility leads to to improved agreement with binding data for 227 active compounds. This comparison also demonstrates that a flexible receptor model enriches high affinity compound identification without significantly increasing the number of false positives from low affinity compounds. PMID:20160879

Hacking DNA copy number for circuit engineering.

PubMed

Wu, Feilun; You, Lingchong

2017-07-27

DNA copy number represents an essential parameter in the dynamics of synthetic gene circuits but typically is not explicitly considered. A new study demonstrates how dynamic control of DNA copy number can serve as an effective strategy to program robust oscillations in gene expression circuits.

Modular and Spatially Explicit: A Novel Approach to System Dynamics

EPA Science Inventory

The Open Modeling Environment (OME) is an open-source System Dynamics (SD) simulation engine which has been created as a joint project between Oregon State University and the US Environmental Protection Agency. It is designed around a modular implementation, and provides a standa...

Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms☆

PubMed Central

Mori, Takaharu; Miyashita, Naoyuki; Im, Wonpil; Feig, Michael; Sugita, Yuji

2016-01-01

This paper reviews various enhanced conformational sampling methods and explicit/implicit solvent/membrane models, as well as their recent applications to the exploration of the structure and dynamics of membranes and membrane proteins. Molecular dynamics simulations have become an essential tool to investigate biological problems, and their success relies on proper molecular models together with efficient conformational sampling methods. The implicit representation of solvent/membrane environments is reasonable approximation to the explicit all-atom models, considering the balance between computational cost and simulation accuracy. Implicit models can be easily combined with replica-exchange molecular dynamics methods to explore a wider conformational space of a protein. Other molecular models and enhanced conformational sampling methods are also briefly discussed. As application examples, we introduce recent simulation studies of glycophorin A, phospholamban, amyloid precursor protein, and mixed lipid bilayers and discuss the accuracy and efficiency of each simulation model and method. This article is part of a Special Issue entitled: Membrane Proteins. Guest Editors: J.C. Gumbart and Sergei Noskov. PMID:26766517

FATE-HD: A spatially and temporally explicit integrated model for predicting vegetation structure and diversity at regional scale

PubMed Central

Isabelle, Boulangeat; Damien, Georges; Wilfried, Thuiller

2014-01-01

During the last decade, despite strenuous efforts to develop new models and compare different approaches, few conclusions have been drawn on their ability to provide robust biodiversity projections in an environmental change context. The recurring suggestions are that models should explicitly (i) include spatiotemporal dynamics; (ii) consider multiple species in interactions; and (iii) account for the processes shaping biodiversity distribution. This paper presents a biodiversity model (FATE-HD) that meets this challenge at regional scale by combining phenomenological and process-based approaches and using well-defined plant functional groups. FATE-HD has been tested and validated in a French National Park, demonstrating its ability to simulate vegetation dynamics, structure and diversity in response to disturbances and climate change. The analysis demonstrated the importance of considering biotic interactions, spatio-temporal dynamics, and disturbances in addition to abiotic drivers to simulate vegetation dynamics. The distribution of pioneer trees was particularly improved, as were all undergrowth functional groups. PMID:24214499

Mathematical Model of Bubble Sloshing Dynamics for Cryogenic Liquid Helium in Orbital Spacecraft Dewar Container

NASA Technical Reports Server (NTRS)

Hung, R. J.; Pan, H. L.

1995-01-01

A generalized mathematical model is investigated of sloshing dynamics for dewar containers, partially filled with a liquid of cryogenic superfluid helium 2, driven by both gravity gradient and jitter accelerations applicable to two types of scientific spacecrafts, which are eligible to carry out spinning motion and/or slew motion to perform scientific observations during normal spacecraft operation. Two examples are given for the Gravity Probe-B (GP-B) with spinning motion, and the Advanced X-Ray Astrophysics Facility-Spectroscopy (AXAF-S) with slew motion, which are responsible for the sloshing dynamics. Explicit mathematical expressions for the modelling of sloshing dynamics to cover these forces acting on the spacecraft fluid systems are derived. The numerical computation of sloshing dynamics will be based on the noninertial frame spacecraft bound coordinate, and we will solve the time-dependent three-dimensional formulations of partial differential equations subject to initial and boundary conditions. Explicit mathematical expressions of boundary conditions lo cover capillary force effects on the liquid-vapor interface in microgravity environments are also derived. Results of the simulations of the mathematical model are illustrated.

Dynamics of molecules in extreme rotational states

PubMed Central

Yuan, Liwei; Teitelbaum, Samuel W.; Robinson, Allison; Mullin, Amy S.

2011-01-01

We have constructed an optical centrifuge with a pulse energy that is more than 2 orders of magnitude larger than previously reported instruments. This high pulse energy enables us to create large enough number densities of molecules in extreme rotational states to perform high-resolution state-resolved transient IR absorption measurements. Here we report the first studies of energy transfer dynamics involving molecules in extreme rotational states. In these studies, the optical centrifuge drives CO2 molecules into states with J ∼ 220 and we use transient IR probing to monitor the subsequent rotational, translational, and vibrational energy flow dynamics. The results reported here provide the first molecular insights into the relaxation of molecules with rotational energy that is comparable to that of a chemical bond.

Experimental studies on the tripping behavior of narrow T-stiffened flat plates subjected to hydrostatic pressure and underwater shock

NASA Technical Reports Server (NTRS)

Budweg, H. L.; Shin, Y. S.

1987-01-01

An experimental investigation was conducted to determine the static and dynamic responses of a specific stiffened flat plate design. The air-backed rectangular flat plates of 6061-T6 aluminum with an externally machined longitudinal narrow-flanged T-stiffener and clamped boundary conditions were subjected to static loading by water hydropump pressure and shock loading from an eight pound TNT charge detonated underwater. The dynamic test plate was instrumented to measure transient strains and free field pressure. The static test plate was instrumented to measure transient strains, plate deflection, and pressure. Emphasis was placed upon forcing static and dynamic stiffener tripping, obtaining relevant strain and pressure data, and studying the associated plate-stiffener behavior.

Robust optimization with transiently chaotic dynamical systems

NASA Astrophysics Data System (ADS)

Sumi, R.; Molnár, B.; Ercsey-Ravasz, M.

2014-05-01

Efficiently solving hard optimization problems has been a strong motivation for progress in analog computing. In a recent study we presented a continuous-time dynamical system for solving the NP-complete Boolean satisfiability (SAT) problem, with a one-to-one correspondence between its stable attractors and the SAT solutions. While physical implementations could offer great efficiency, the transiently chaotic dynamics raises the question of operability in the presence of noise, unavoidable on analog devices. Here we show that the probability of finding solutions is robust to noise intensities well above those present on real hardware. We also developed a cellular neural network model realizable with analog circuits, which tolerates even larger noise intensities. These methods represent an opportunity for robust and efficient physical implementations.

Dynamics of internal models in game players

NASA Astrophysics Data System (ADS)

Taiji, Makoto; Ikegami, Takashi

1999-10-01

A new approach for the study of social games and communications is proposed. Games are simulated between cognitive players who build the opponent’s internal model and decide their next strategy from predictions based on the model. In this paper, internal models are constructed by the recurrent neural network (RNN), and the iterated prisoner’s dilemma game is performed. The RNN allows us to express the internal model in a geometrical shape. The complicated transients of actions are observed before the stable mutually defecting equilibrium is reached. During the transients, the model shape also becomes complicated and often experiences chaotic changes. These new chaotic dynamics of internal models reflect the dynamical and high-dimensional rugged landscape of the internal model space.

Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory

PubMed Central

Novoderezhkin, Vladimir I.; Doust, Alexander B.; Curutchet, Carles; Scholes, Gregory D.; van Grondelle, Rienk

2010-01-01

Abstract We model the spectra and excitation dynamics in the phycobiliprotein antenna complex PE545 isolated from the unicellular photosynthetic cryptophyte algae Rhodomonas CS24. The excitonic couplings between the eight bilins are calculated using the CIS/6-31G method. The site energies are extracted from a simultaneous fit of the absorption, circular dichroism, fluorescence, and excitation anisotropy spectra together with the transient absorption kinetics using the modified Redfield approach. Quantitative fit of the data enables us to assign the eight exciton components of the spectra and build up the energy transfer picture including pathways and timescales of energy relaxation, thus allowing a visualization of excitation dynamics within the complex. PMID:20643051

Cascading elastic perturbation in Japan due to the 2012 M w 8.6 Indian Ocean Earthquake

DOE PAGES

Delorey, A. A.; Johnson, P. A.; Chao, K.; ...

2015-10-02

Since the discovery of extensive earthquake triggering occurring in response to the 1992 M w 7.3 Landers earthquake, it is now well established that seismic waves from earthquakes can trigger other earthquakes, tremor, slow slip, and pore pressure changes. Our contention is that earthquake triggering is one manifestation of a more widespread elastic disturbance that reveals information about Earth’s stress state. Earth’s stress state is central to our understanding of both natural and anthropogenic-induced crustal processes. Here we present that seismic waves from distant earthquakes may perturb stresses and frictional properties on faults and elastic moduli of the crust inmore » cascading fashion. Transient dynamic stresses place crustal material into a metastable state during which material recovers through a process termed slow dynamics. This observation of widespread, dynamically induced elastic perturbation, including systematic migration of offshore seismicity, strain transients, and velocity transients, presents a new characterization of Earth’s elastic system that will advance our understanding of plate tectonics, seismicity, and seismic hazards.« less

Cascading elastic perturbation in Japan due to the 2012 M w 8.6 Indian Ocean Earthquake

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

Delorey, A. A.; Johnson, P. A.; Chao, K.

Since the discovery of extensive earthquake triggering occurring in response to the 1992 M w 7.3 Landers earthquake, it is now well established that seismic waves from earthquakes can trigger other earthquakes, tremor, slow slip, and pore pressure changes. Our contention is that earthquake triggering is one manifestation of a more widespread elastic disturbance that reveals information about Earth’s stress state. Earth’s stress state is central to our understanding of both natural and anthropogenic-induced crustal processes. Here we present that seismic waves from distant earthquakes may perturb stresses and frictional properties on faults and elastic moduli of the crust inmore » cascading fashion. Transient dynamic stresses place crustal material into a metastable state during which material recovers through a process termed slow dynamics. This observation of widespread, dynamically induced elastic perturbation, including systematic migration of offshore seismicity, strain transients, and velocity transients, presents a new characterization of Earth’s elastic system that will advance our understanding of plate tectonics, seismicity, and seismic hazards.« less

Cascading elastic perturbation in Japan due to the 2012 Mw 8.6 Indian Ocean earthquake

PubMed Central

Delorey, Andrew A.; Chao, Kevin; Obara, Kazushige; Johnson, Paul A.

2015-01-01

Since the discovery of extensive earthquake triggering occurring in response to the 1992 Mw (moment magnitude) 7.3 Landers earthquake, it is now well established that seismic waves from earthquakes can trigger other earthquakes, tremor, slow slip, and pore pressure changes. Our contention is that earthquake triggering is one manifestation of a more widespread elastic disturbance that reveals information about Earth’s stress state. Earth’s stress state is central to our understanding of both natural and anthropogenic-induced crustal processes. We show that seismic waves from distant earthquakes may perturb stresses and frictional properties on faults and elastic moduli of the crust in cascading fashion. Transient dynamic stresses place crustal material into a metastable state during which the material recovers through a process termed slow dynamics. This observation of widespread, dynamically induced elastic perturbation, including systematic migration of offshore seismicity, strain transients, and velocity transients, presents a new characterization of Earth’s elastic system that will advance our understanding of plate tectonics, seismicity, and seismic hazards. PMID:26601289

Initial condition-dependent dynamics and transient period in memristor-based hypogenetic jerk system with four line equilibria

NASA Astrophysics Data System (ADS)

Bao, Han; Wang, Ning; Bao, Bocheng; Chen, Mo; Jin, Peipei; Wang, Guangyi

2018-04-01

Memristor-based nonlinear dynamical system easily presents the initial condition-dependent dynamical phenomenon of extreme multistability, i.e., coexisting infinitely many attractors, which has been received much attention in recent years. By introducing an ideal and active flux-controlled memristor into an existing hypogenetic chaotic jerk system, an interesting memristor-based chaotic system with hypogenetic jerk equation and circuit forms is proposed. The most striking feature is that this system has four line equilibria and exhibits the extreme multistability phenomenon of coexisting infinitely many attractors. Stability of these line equilibria are analyzed, and coexisting infinitely many attractors' behaviors with the variations of the initial conditions are investigated by bifurcation diagrams, Lyapunov exponent spectra, attraction basins, and phased portraits, upon which the forming mechanism of extreme multistablity in the memristor-based hypogenetic jerk system is explored. Specially, unusual transition behavior of long term transient period with steady chaos, completely different from the phenomenon of transient chaos, can be also found for some initial conditions. Moreover, a hardware circuit is design and fabricated and its experimental results effectively verify the truth of extreme multistablity.

Dynamic Pressure Probes Developed for Supersonic Flow-Field Measurements

NASA Technical Reports Server (NTRS)

Porro, A. Robert

2001-01-01

A series of dynamic flow-field pressure probes were developed for use in large-scale supersonic wind tunnels at the NASA Glenn Research Center. These flow-field probes include pitot and static pressure probes that can capture fast-acting flow-field pressure transients occurring on a millisecond timescale. The pitot and static probes can be used to determine local Mach number time histories during a transient event. The flow-field pressure probe contains four major components: 1) Static pressure aerodynamic tip; 2) Pressure-sensing cartridge assembly; 3) Pitot pressure aerodynamic tip; 4) Mounting stem. This modular design allows for a variety of probe tips to be used for a specific application. Here, the focus is on flow-field pressure measurements in supersonic flows, so we developed a cone-cylinder static pressure tip and a pitot pressure tip. Alternatively, probe tips optimized for subsonic and transonic flows could be used with this design. The pressure-sensing cartridge assembly allows the simultaneous measurement of steady-state and transient pressure which allows continuous calibration of the dynamic pressure transducer.

Aeroelastic and dynamic finite element analyses of a bladder shrouded disk

NASA Technical Reports Server (NTRS)

Smith, G. C. C.; Elchuri, V.

1980-01-01

The delivery and demonstration of a computer program for the analysis of aeroelastic and dynamic properties is reported. Approaches to flutter and forced vibration of mistuned discs, and transient aerothermoelasticity are described.

An ultra-fast fiber optic pressure sensor for blast event measurements

NASA Astrophysics Data System (ADS)

Wu, Nan; Zou, Xiaotian; Tian, Ye; Fitek, John; Maffeo, Michael; Niezrecki, Christopher; Chen, Julie; Wang, Xingwei

2012-05-01

Soldiers who are exposed to explosions are at risk of suffering traumatic brain injury (TBI). Since the causal relationship between a blast and TBI is poorly understood, it is critical to have sensors that can accurately quantify the blast dynamics and resulting wave propagation through a helmet and skull that are imparted onto and inside the brain. To help quantify the cause of TBI, it is important to record transient pressure data during a blast event. However, very few sensors feature the capabilities of tracking the dynamic pressure transients due to the rapid change of the pressure during blast events, while not interfering with the physical material layers or wave propagation. In order to measure the pressure transients efficiently, a pressure sensor should have a high resonant frequency and a high spatial resolution. This paper describes an ultra-fast fiber optic pressure sensor based on the Fabry-Perot principle for the application of measuring the rapid pressure changes in a blast event. A shock tube experiment performed in US Army Natick Soldier Research, Development and Engineering Center has demonstrated that the resonant frequency of the sensor is 4.12 MHz, which is relatively close to the designed theoretical value of 4.113 MHz. Moreover, the experiment illustrated that the sensor has a rise time of 120 ns, which demonstrates that the sensor is capable of observing the dynamics of the pressure transient during a blast event.

A coarse-grained polarizable force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate

NASA Astrophysics Data System (ADS)

Zeman, Johannes; Uhlig, Frank; Smiatek, Jens; Holm, Christian

2017-12-01

We present a coarse-grained polarizable molecular dynamics force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF6]). For the treatment of electronic polarizability, we employ the Drude model. Our results show that the new explicitly polarizable force field reproduces important static and dynamic properties such as mass density, enthalpy of vaporization, diffusion coefficients, or electrical conductivity in the relevant temperature range. In situations where an explicit treatment of electronic polarizability might be crucial, we expect the force field to be an improvement over non-polarizable models, while still profiting from the reduction of computational cost due to the coarse-grained representation.

The Time Course of Explicit and Implicit Categorization

PubMed Central

Zakrzewski, Alexandria C.; Herberger, Eric; Boomer, Joseph; Roeder, Jessica; Ashby, F. Gregory; Church, Barbara A.

2015-01-01

Contemporary theory in cognitive neuroscience distinguishes, among the processes and utilities that serve categorization, explicit and implicit systems of category learning that learn, respectively, category rules by active hypothesis testing or adaptive behaviors by association and reinforcement. Little is known about the time course of categorization within these systems. Accordingly, the present experiments contrasted tasks that fostered explicit categorization (because they had a one-dimensional, rule-based solution) or implicit categorization (because they had a two-dimensional, information-integration solution). In Experiment 1, participants learned categories under unspeeded or speeded conditions. In Experiment 2, they applied previously trained category knowledge under unspeeded or speeded conditions. Speeded conditions selectively impaired implicit category learning and implicit mature categorization. These results illuminate the processing dynamics of explicit/implicit categorization. PMID:26025556

Numerical study of the transient flow in the driven tube and the nozzle section of a shock tunnel

NASA Technical Reports Server (NTRS)

Tokarcik-Polsky, Susan; Cambier, Jean-Luc

1993-01-01

The initial flow in a shock tunnel was examined numerically using computational fluid dynamics (CFD). A finite-volume total variation diminishing (TVD) scheme was used to calculate the transient flow in a shock tunnel. Both viscous and inviscid, chemically nonreacting flows were studied. The study consisted of two parts, the first dealt with the transient flow in the driven-tube/nozzle interface region (inviscid calculations). The effects of varying the geometry in this region was examined. The second part of the study examined the transient flow in the nozzle (viscous calculations). The results were compared to experimental data.

Transient/structural analysis of a combustor under explosive loads

NASA Technical Reports Server (NTRS)

Gregory, Peyton B.; Holland, Anne D.

1992-01-01

The 8-Foot High Temperature Tunnel (HTT) at NASA Langley Research Center is a combustion-driven blow-down wind tunnel. A major potential failure mode that was considered during the combustor redesign was the possibility of a deflagration and/or detonation in the combustor. If a main burner flame-out were to occur, then unburned fuel gases could accumulate and, if reignited, an explosion could occur. An analysis has been performed to determine the safe operating limits of the combustor under transient explosive loads. The failure criteria was defined and the failure mechanisms were determined for both peak pressures and differential pressure loadings. An overview of the gas dynamics analysis was given. A finite element model was constructed to evaluate 13 transient load cases. The sensitivity of the structure to the frequency content of the transient loading was assessed. In addition, two closed form dynamic analyses were conducted to verify the finite element analysis. It was determined that the differential pressure load or thrust load was the critical load mechanism and that the nozzle is the weak link in the combustor system.

Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer Processes

DTIC Science & Technology

devices and photoelectrochemical cells. Theoretical methodology for simulating the nonadiabatic dynamics of photoinduced PCET reactions in solution has...tuning and control of the ultrafast dynamics is crucial for designing renewable and sustainable energy sources, such as artificial photosynthesis...describes the solute with a multiconfigurational method in a bath of explicit solvent molecules. The transferring hydrogen nucleus is represented as a

Exploring the role of fire, succession, climate, and weather on landscape dynamics using comparative modeling

Treesearch

Robert E. Keane; Geoffrey J. Cary; Mike D. Flannigan; Russell A. Parsons; Ian D. Davies; Karen J. King; Chao Li; Ross A. Bradstock; Malcolm Gill

2013-01-01

An assessment of the relative importance of vegetation change and disturbance as agents of landscape change under current and future climates would (1) provide insight into the controls of landscape dynamics, (2) help inform the design and development of coarse scale spatially explicit ecosystem models such as Dynamic Global Vegetation Models (DGVMs), and (3) guide...

Timing of transients: quantifying reaching times and transient behavior in complex systems

NASA Astrophysics Data System (ADS)

Kittel, Tim; Heitzig, Jobst; Webster, Kevin; Kurths, Jürgen

2017-08-01

In dynamical systems, one may ask how long it takes for a trajectory to reach the attractor, i.e. how long it spends in the transient phase. Although for a single trajectory the mathematically precise answer may be infinity, it still makes sense to compare different trajectories and quantify which of them approaches the attractor earlier. In this article, we categorize several problems of quantifying such transient times. To treat them, we propose two metrics, area under distance curve and regularized reaching time, that capture two complementary aspects of transient dynamics. The first, area under distance curve, is the distance of the trajectory to the attractor integrated over time. It measures which trajectories are ‘reluctant’, i.e. stay distant from the attractor for long, or ‘eager’ to approach it right away. Regularized reaching time, on the other hand, quantifies the additional time (positive or negative) that a trajectory starting at a chosen initial condition needs to approach the attractor as compared to some reference trajectory. A positive or negative value means that it approaches the attractor by this much ‘earlier’ or ‘later’ than the reference, respectively. We demonstrated their substantial potential for application with multiple paradigmatic examples uncovering new features.

Instrumented Taylor anvil-on-rod impact tests for validating applicability of standard strength models to transient deformation states

NASA Astrophysics Data System (ADS)

Eakins, D. E.; Thadhani, N. N.

2006-10-01

Instrumented Taylor anvil-on-rod impact tests have been conducted on oxygen-free electronic copper to validate the accuracy of current strength models for predicting transient states during dynamic deformation events. The experiments coupled the use of high-speed digital photography to record the transient deformation states and laser interferometry to monitor the sample back (free surface) velocity as a measure of the elastic/plastic wave propagation through the sample length. Numerical continuum dynamics simulations of the impact and plastic wave propagation employing the Johnson-Cook [Proceedings of the Seventh International Symposium on Ballistics, 1983, The Netherlands (Am. Def. Prep. Assoc. (ADPA)), pp. 541-547], Zerilli-Armstrong [J. Appl. Phys. C1, 1816 (1987)], and Steinberg-Guinan [J. Appl. Phys. 51, 1498 (1980)] constitutive equations were used to generate transient deformation profiles and the free surface velocity traces. While these simulations showed good correlation with the measured free surface velocity traces and the final deformed sample shape, varying degrees of deviations were observed between the photographed and calculated specimen profiles at intermediate deformation states. The results illustrate the usefulness of the instrumented Taylor anvil-on-rod impact technique for validating constitutive equations that can describe the path-dependent deformation response and can therefore predict the transient and final deformation states.

Picosecond sulfur K-edge X-ray absorption spectroscopy with applications to excited state proton transfer

DOE PAGES

Van Kuiken, Benjamin E.; Ross, Matthew R.; Strader, Matthew L.; ...

2017-05-08

Picosecond X-ray absorption (XA) spectroscopy at the S K-edge (~2.4 keV) is demonstrated and used to monitor excited state dynamics in a small organosulfur molecule (2-Thiopyridone, 2TP) following optical excitation. Multiple studies have reported that the thione (2TP) is converted into the thiol (2-Mercaptopyridine, 2MP) following photoexcitation. However, the timescale and photochemical pathway of this reaction remain uncertain. In this work, time-resolved XA spectroscopy at the S K-edge is used to monitor the formation and decay of two transient species following 400nm excitation of 2TP dissolved in acetonitrile. The first transient species forms within the instrument response time (70 ps)more » and decays within 6 ns. The second transient species forms on a timescale of ~400 ps and decays on a 15 ns timescale. Time-dependent density functional theory is used to identify the first and second transient species as the lowestlying triplet states of 2TP and 2MP, respectively. This study demonstrates transient S K-edge XA spectroscopy as a sensitive and viable probe of time-evolving charge dynamics near sulfur sites in small molecules with future applications towards studying complex biological and material systems.« less

Transient Solid Dynamics Simulations on the Sandia/Intel Teraflop Computer

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

Attaway, S.; Brown, K.; Gardner, D.

1997-12-31

Transient solid dynamics simulations are among the most widely used engineering calculations. Industrial applications include vehicle crashworthiness studies, metal forging, and powder compaction prior to sintering. These calculations are also critical to defense applications including safety studies and weapons simulations. The practical importance of these calculations and their computational intensiveness make them natural candidates for parallelization. This has proved to be difficult, and existing implementations fail to scale to more than a few dozen processors. In this paper we describe our parallelization of PRONTO, Sandia`s transient solid dynamics code, via a novel algorithmic approach that utilizes multiple decompositions for differentmore » key segments of the computations, including the material contact calculation. This latter calculation is notoriously difficult to perform well in parallel, because it involves dynamically changing geometry, global searches for elements in contact, and unstructured communications among the compute nodes. Our approach scales to at least 3600 compute nodes of the Sandia/Intel Teraflop computer (the largest set of nodes to which we have had access to date) on problems involving millions of finite elements. On this machine we can simulate models using more than ten- million elements in a few tenths of a second per timestep, and solve problems more than 3000 times faster than a single processor Cray Jedi.« less

Dynamics of Postcombustion CO2 Capture Plants: Modeling, Validation, and Case Study

PubMed Central

2017-01-01

The capture of CO2 from power plant flue gases provides an opportunity to mitigate emissions that are harmful to the global climate. While the process of CO2 capture using an aqueous amine solution is well-known from experience in other technical sectors (e.g., acid gas removal in the gas processing industry), its operation combined with a power plant still needs investigation because in this case, the interaction with power plants that are increasingly operated dynamically poses control challenges. This article presents the dynamic modeling of CO2 capture plants followed by a detailed validation using transient measurements recorded from the pilot plant operated at the Maasvlakte power station in the Netherlands. The model predictions are in good agreement with the experimental data related to the transient changes of the main process variables such as flow rate, CO2 concentrations, temperatures, and solvent loading. The validated model was used to study the effects of fast power plant transients on the capture plant operation. A relevant result of this work is that an integrated CO2 capture plant might enable more dynamic operation of retrofitted fossil fuel power plants because the large amount of steam needed by the capture process can be diverted rapidly to and from the power plant. PMID:28413256

Structure and Dynamics of Helical Protein Fragments Investigated by Theory and Experiment

NASA Astrophysics Data System (ADS)

Karimi, Afshin

This work addresses the conformation and dynamics of model peptides using spectroscopy and molecular dynamics simulations. Experimentally, we investigate the structure and dynamics of peptide fragments taken from coiled coil and three helical bundle motifs of bacterial coat proteins. Theoretically, we use molecular dynamics simulations of isolated helices with explicit water molecules to derive trajectories which reveal features about picosecond dynamics and local unfolding events. The assignment of the ^1H, ^{15}N, and ^ {13}C resonances, secondary structure, backbone dynamics, hydration and other biophysical parameters of a 30 residue recombinant peptide corresponding to an immunogenic site on the coiled coil region of Streptococcus pyogenes 24M protein are reported. Our results suggest that this peptide is a symmetric parallel dimeric alpha-helical coiled coil with local defects within the helix and fraying at the termini. The ^1H and ^ {15}N assignments, the hydration, the overall fold, and other biophysical parameters of a recombinant B domain of Staphylococcal protein A (FB) are reported. Our results indicate FB is a highly stable monomeric three helical bundle. A symmetric two domain construct was used to probe the modular assembly of two B domains. Here, spectroscopic results suggest weak interactions between the two domains. The folding pathway of FB was investigated using amide exchange data of the native protein and peptide models. We propose that the helical hairpin consisting of helices II and III is an on-pathway intermediate in the folding of FB. Two 1 ns molecular dynamics simulations (MD) on two mainly helical peptides--an 18 residue peptide corresponding to a portion of the H helix of myoglobin (MBH) and a 14 residue analogue of the C-peptide of ribonuclease A (CRNA) --were carried out in water using the united atom AMBER/OPLS force-field. In the case of MBH, the initial helical conformation progressively frays to a more disordered structure. A common motif in the unfolding mechanism involves the formation of transient turn structures involving several water molecules. In contrast to the MBH simulation, the CRNA trajectory was characterized by the presence of fairly stable i ... i+4 (alpha-helical) hydrogen bonds throughout the simulation, except at the N-terminus where some fraying was observed.

Modeling climate change impacts on groundwater resources using transient stochastic climatic scenarios

NASA Astrophysics Data System (ADS)

Goderniaux, Pascal; BrouyèRe, Serge; Blenkinsop, Stephen; Burton, Aidan; Fowler, Hayley J.; Orban, Philippe; Dassargues, Alain

2011-12-01

Several studies have highlighted the potential negative impact of climate change on groundwater reserves, but additional work is required to help water managers plan for future changes. In particular, existing studies provide projections for a stationary climate representative of the end of the century, although information is demanded for the near future. Such time-slice experiments fail to account for the transient nature of climatic changes over the century. Moreover, uncertainty linked to natural climate variability is not explicitly considered in previous studies. In this study we substantially improve upon the state-of-the-art by using a sophisticated transient weather generator in combination with an integrated surface-subsurface hydrological model (Geer basin, Belgium) developed with the finite element modeling software "HydroGeoSphere." This version of the weather generator enables the stochastic generation of large numbers of equiprobable climatic time series, representing transient climate change, and used to assess impacts in a probabilistic way. For the Geer basin, 30 equiprobable climate change scenarios from 2010 to 2085 have been generated for each of six different regional climate models (RCMs). Results show that although the 95% confidence intervals calculated around projected groundwater levels remain large, the climate change signal becomes stronger than that of natural climate variability by 2085. Additionally, the weather generator's ability to simulate transient climate change enabled the assessment of the likely time scale and associated uncertainty of a specific impact, providing managers with additional information when planning further investment. This methodology constitutes a real improvement in the field of groundwater projections under climate change conditions.

Transport theory and fluid dynamics

NASA Astrophysics Data System (ADS)

Greenberg, W.; Zweifel, P. F.

We report progress in various areas of applied mathematics relevant to transport theory under the subjects: abstract transport theory, explicit transport models and computation, and fluid dynamics. We present a brief review of progress during the past year and personnel supported, and we indicate the direction of our future research.

Spatial Patterns in Alternative States and Thresholds: A Missing Link for Management of Landscapes?

USDA-ARS?s Scientific Manuscript database

The detection of threshold dynamics (and other dynamics of interest) would benefit from explicit representations of spatial patterns of disturbance, spatial dependence in responses to disturbance, and the spatial structure of feedbacks in the design of monitoring and management strategies. Spatially...

Chained Aggregation and Control System Design:; A Geometric Approach.

DTIC Science & Technology

1982-10-01

Furthermore, it explicitly identifies a reduced order modal used to meet the design goals. This results in an interactive design pro- cedure which allows...same framework. This leads directly to dynamic compen- sator design. The results are applied to decentralized control problems, non interactive ...goals. Furthermore, it explicitly identifies a reduced order model used to meet the design goals. This results in an interactive design procedure which

Finite Element Modeling of Coupled Flexible Multibody Dynamics and Liquid Sloshing

DTIC Science & Technology

2006-09-01

tanks is presented. The semi-discrete combined solid and fluid equations of motions are integrated using a time- accurate parallel explicit solver...Incompressible fluid flow in a moving/deforming container including accurate modeling of the free-surface, turbulence, and viscous effects ...paper, a single computational code which uses a time- accurate explicit solution procedure is used to solve both the solid and fluid equations of

Detection of phasic dopamine by D1 and D2 striatal medium spiny neurons.

PubMed

Yapo, Cedric; Nair, Anu G; Clement, Lorna; Castro, Liliana R; Hellgren Kotaleski, Jeanette; Vincent, Pierre

2017-12-15

Brief dopamine events are critical actors of reward-mediated learning in the striatum; the intracellular cAMP-protein kinase A (PKA) response of striatal medium spiny neurons to such events was studied dynamically using a combination of biosensor imaging in mouse brain slices and in silico simulations. Both D1 and D2 medium spiny neurons can sense brief dopamine transients in the sub-micromolar range. While dopamine transients profoundly change cAMP levels in both types of medium spiny neurons, the PKA-dependent phosphorylation level remains unaffected in D2 neurons. At the level of PKA-dependent phosphorylation, D2 unresponsiveness depends on protein phosphatase-1 (PP1) inhibition by DARPP-32. Simulations suggest that D2 medium spiny neurons could detect transient dips in dopamine level. The phasic release of dopamine in the striatum determines various aspects of reward and action selection, but the dynamics of the dopamine effect on intracellular signalling remains poorly understood. We used genetically encoded FRET biosensors in striatal brain slices to quantify the effect of transient dopamine on cAMP or PKA-dependent phosphorylation levels, and computational modelling to further explore the dynamics of this signalling pathway. Medium-sized spiny neurons (MSNs), which express either D 1 or D 2 dopamine receptors, responded to dopamine by an increase or a decrease in cAMP, respectively. Transient dopamine showed similar sub-micromolar efficacies on cAMP in both D1 and D2 MSNs, thus challenging the commonly accepted notion that dopamine efficacy is much higher on D 2 than on D 1 receptors. However, in D2 MSNs, the large decrease in cAMP level triggered by transient dopamine did not translate to a decrease in PKA-dependent phosphorylation level, owing to the efficient inhibition of protein phosphatase 1 by DARPP-32. Simulations further suggested that D2 MSNs can also operate in a 'tone-sensing' mode, allowing them to detect transient dips in basal dopamine. Overall, our results show that D2 MSNs may sense much more complex patterns of dopamine than previously thought. © 2017 The Authors. The Journal of Physiology © 2017 The Physiological Society.

Dynamic Optoelectronic Properties in Perovskite Oxide Thin Films Measured with Ultrafast Transient Absorption & Reflectance Spectroscopy

NASA Astrophysics Data System (ADS)

Smolin, Sergey Y.

Ultrafast transient absorption and reflectance spectroscopy are foundational techniques for studying photoexcited carrier recombination mechanisms, lifetimes, and charge transfer rates. Because quantifying photoexcited carrier dynamics is central to the intelligent design and improvement of many solid state devices, these transient optical techniques have been applied to a wide range of semiconductors. However, despite their promise, interpretation of transient absorption and reflectance data is not always straightforward and often relies on assumptions of physical processes, especially with respect to the influence of heating. Studying the material space of perovskite oxides, the careful collection, interpretation, and analysis of ultrafast data is presented here as a guide for future research into novel semiconductors. Perovskite oxides are a class of transition metal oxides with the chemical structure ABO3. Although traditionally studied for their diverse physical, electronic, and magnetic properties, perovskite oxides have gained recent research attention as novel candidates for light harvesting applications. Indeed, strong tunable absorption, unique interfacial properties, and vast chemical flexibility make perovskite oxides a promising photoactive material system. However, there is limited research characterizing dynamic optoelectronic properties, such as recombination lifetimes, which are critical to know in the design of any light-harvesting device. In this thesis, ultrafast transient absorption and reflectance spectroscopy was used to understand these dynamic optoelectronic properties in highquality, thin (<50 nm) perovskite oxide films grown by molecular beam epitaxy. Starting with epitaxial LaFeO3 (LFO) grown on (LaAlO 3)0.3(Sr2AlTaO6)0.7 (LSAT), transient absorption spectroscopy reveals two photoinduced absorption features at the band gap of LFO at 2.4 eV and at the higher energy absorption edge at 3.5 eV. Using a combination of temperature-dependent, variable-angle spectroscopic ellipsometry and time-resolved ultrafast optical spectroscopy on a type I heterostructure, we clarify thermal and electronic contributions to spectral transients in LaFeO3. Upon comparison to thermally-derived static spectra of LaFeO3, we find that thermal contributions dominate the transient absorption and reflectance spectra above the band gap. A transient photoinduced absorption feature below the band gap at 1.9 eV is not reproduced in the thermally derived spectra and has significantly longer decay kinetics from the thermallyinduced features; therefore, this long lived photoinduced absorption is likely derived, at least partially, from photoexcited carriers with lifetimes much longer than 3 nanoseconds. LaFeO3 has a wide band gap of 2.4 eV but its absorption can be decreased with chemical substitution of Sr for Fe to make it more suitable for various applications. This type of A-site substitution is a common route to change static optical absorption in perovskite oxides, but there are no systematic studies looking at how A-site substitution changes dynamic optoelectronic properties. To understand the relationship between composition and static and dynamic optical properties we worked with the model system of La1-xSrxFeO 3-delta epitaxial films grown on LSAT, uncovering the effects of A-site cation substitution and oxygen stoichiometry. Variable-angle spectroscopic ellipsometry was used to measure static optical properties, revealing a linear increase in absorption coefficient at 1.25 eV and a red-shifting of the optical absorption edge with increasing Sr fraction. The absorption spectra can be similarly tuned through the introduction of oxygen vacancies, indicating the critical role that nominal Fe valence plays in optical absorption. Dynamic optoelectronic properties were studied with ultrafast transient reflectance spectroscopy with broadband visible (1.6 eV to 4 eV) and near-infrared (0.9 eV to 1.5 eV) probes. The sign of the reflectance change in the near-infrared region in LSFO is indicative of carrier bandfilling of newly created electronic states by photoexcited carriers. Moreover, we find that similar transient spectral trends can be induced with A-site substitution or through oxygen vacancies, which is a surprising result. Probing the near-infrared region reveals similar nanosecond (1-3 ns) photoexcited carrier lifetimes for oxygen deficient and stoichiometric films. These results demonstrate that while the static optical absorption is strongly dependent on nominal Fe valence tuned through cation or anion stoichiometry, oxygen vacancies do not appear to play a significantly detrimental role in long lived recombination kinetics. Although this thesis represents one of the first comprehensive studies using broad band transient absorption and reflectance spectroscopy to study dynamic optoelectronic phenomena in perovskite oxides, it can also serve as a guide for the implementation and interpretation of ultrafast spectroscopy in other material systems. Moreover, the ultrafast work on perovskite oxides indicates that these materials have long nanosecond lifetimes required for light harvesting devices and should be investigated further.

Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations

PubMed Central

2012-01-01

Implicit solvation is a mean force approach to model solvent forces acting on a solute molecule. It is frequently used in molecular simulations to reduce the computational cost of solvent treatment. In the first instance, the free energy of solvation and the associated solvent–solute forces can be approximated by a function of the solvent-accessible surface area (SASA) of the solute and differentiated by an atom–specific solvation parameter σiSASA. A procedure for the determination of values for the σiSASA parameters through matching of explicit and implicit solvation forces is proposed. Using the results of Molecular Dynamics simulations of 188 topologically diverse protein structures in water and in implicit solvent, values for the σiSASA parameters for atom types i of the standard amino acids in the GROMOS force field have been determined. A simplified representation based on groups of atom types σgSASA was obtained via partitioning of the atom–type σiSASA distributions by dynamic programming. Three groups of atom types with well separated parameter ranges were obtained, and their performance in implicit versus explicit simulations was assessed. The solvent forces are available at http://mathbio.nimr.mrc.ac.uk/wiki/Solvent_Forces. PMID:23180979

Spent nuclear fuel system dynamic stability under normal conditions of transportation

DOE PAGES

Jiang, Hao; Wang, Jy-An John

2016-10-14

In a horizontal layout of a spent nuclear fuel (SNF) assembly under normal conditions of transportation (NCT), the fuel assembly’s skeleton formed by guide tubes and spacer grids is the primary load bearing structure for carrying and transferring the vibration loads within an SNF assembly. Therefore, the integrity of guide tubes and spacer grids will dictate the vibration amplitude/intensity of the fuel assembly during transport, and must be considered when designing multipurpose purpose canister (MPC) for safe SNF transport. This paper investigates the SNF assembly deformation dynamics during normal vibration mode, as well as the transient shock mode inside themore » cask during NCT. In conclusion, dynamic analyses were performed in the frequency domain to study frequency characteristic of the fuel assembly system and in the time domain to simulate the transient dynamic response of the fuel assembly.« less

Spent nuclear fuel system dynamic stability under normal conditions of transportation

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

Jiang, Hao; Wang, Jy-An John

In a horizontal layout of a spent nuclear fuel (SNF) assembly under normal conditions of transportation (NCT), the fuel assembly’s skeleton formed by guide tubes and spacer grids is the primary load bearing structure for carrying and transferring the vibration loads within an SNF assembly. Therefore, the integrity of guide tubes and spacer grids will dictate the vibration amplitude/intensity of the fuel assembly during transport, and must be considered when designing multipurpose purpose canister (MPC) for safe SNF transport. This paper investigates the SNF assembly deformation dynamics during normal vibration mode, as well as the transient shock mode inside themore » cask during NCT. In conclusion, dynamic analyses were performed in the frequency domain to study frequency characteristic of the fuel assembly system and in the time domain to simulate the transient dynamic response of the fuel assembly.« less

Simplification of femtosecond transient absorption microscopy data from CH3NH3PbI3 perovskite thin films into decay associated amplitude maps

NASA Astrophysics Data System (ADS)

Doughty, Benjamin; Simpson, Mary Jane; Yang, Bin; Xiao, Kai; Ma, Ying-Zhong

2016-03-01

This work aims to simplify multi-dimensional femtosecond transient absorption microscopy (TAM) data into decay associated amplitude maps (DAAMs) that describe the spatial distributions of dynamical processes occurring on various characteristic timescales. Application of this method to TAM data obtained from a model methyl-ammonium lead iodide (CH3NH3PbI3) perovskite thin film allows us to simplify the data set comprising 68 time-resolved images into four DAAMs. These maps offer a simple means to visualize the complex electronic excited-state dynamics in this system by separating distinct dynamical processes evolving on characteristic timescales into individual spatial images. This approach provides new insight into subtle aspects of ultrafast relaxation dynamics associated with excitons and charge carriers in the perovskite thin film, which have recently been found to coexist at spatially distinct locations.

Heat Pipe Vapor Dynamics. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Issacci, Farrokh

1990-01-01

The dynamic behavior of the vapor flow in heat pipes is investigated at startup and during operational transients. The vapor is modeled as two-dimensional, compressible viscous flow in an enclosure with inflow and outflow boundary conditions. For steady-state and operating transients, the SIMPLER method is used. In this method a control volume approach is employed on a staggered grid which makes the scheme very stable. It is shown that for relatively low input heat fluxes the compressibility of the vapor flow is low and the SIMPLER scheme is suitable for the study of transient vapor dynamics. When the input heat flux is high or the process under a startup operation starts at very low pressures and temperatures, the vapor is highly compressible and a shock wave is created in the evaporator. It is shown that for a wide range of input heat fluxes, the standard methods, including the SIMPLER scheme, are not suitable. A nonlinear filtering technique, along with the centered difference scheme, are then used for shock capturing as well as for the solution of the cell Reynolds-number problem. For high heat flux, the startup transient phase involves multiple shock reflections in the evaporator region. Each shock reflection causes a significant increase in the local pressure and a large pressure drop along the heat pipe. Furthermore, shock reflections cause flow reversal in the evaporation region and flow circulations in the adiabatic region. The maximum and maximum-averaged pressure drops in different sections of the heat pipe oscillate periodically with time because of multiple shock reflections. The pressure drop converges to a constant value at steady state. However, it is significantly higher than its steady-state value at the initiation of the startup transient. The time for the vapor core to reach steady-state condition depends on the input heat flux, the heat pipe geometry, the working fluid, and the condenser conditions. However, the vapor transient time, for an Na-filled heat pipe is on the order of seconds. Depending on the time constant for the overall system, the vapor transient time may be very short. Therefore, the vapor core may be assumed to be quasi-steady in the transient analysis of a heat pipe operation.

Modeling nitrous oxide production and reduction in soil through explicit representation of denitrification enzyme kinetics.

PubMed

Zheng, Jianqiu; Doskey, Paul V

2015-02-17

An enzyme-explicit denitrification model with representations for pre- and de novo synthesized enzymes was developed to improve predictions of nitrous oxide (N2O) accumulations in soil and emissions from the surface. The metabolic model of denitrification is based on dual-substrate utilization and Monod growth kinetics. Enzyme synthesis/activation was incorporated into each sequential reduction step of denitrification to regulate dynamics of the denitrifier population and the active enzyme pool, which controlled the rate function. Parameterizations were developed from observations of the dynamics of N2O production and reduction in soil incubation experiments. The model successfully reproduced the dynamics of N2O and N2 accumulation in the incubations and revealed an important regulatory effect of denitrification enzyme kinetics on the accumulation of denitrification products. Pre-synthesized denitrification enzymes contributed 20, 13, 43, and 62% of N2O that accumulated in 48 h incubations of soil collected from depths of 0-5, 5-10, 10-15, and 15-25 cm, respectively. An enzyme activity function (E) was defined to estimate the relative concentration of active enzymes and variation in response to environmental conditions. The value of E allows for activities of pre-synthesized denitrification enzymes to be differentiated from de novo synthesized enzymes. Incorporating explicit representations of denitrification enzyme kinetics into biogeochemical models is a promising approach for accurately simulating dynamics of the production and reduction of N2O in soils.

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium

DOE PAGES

Zurch, Michael; Chang, Hung -Tzu; Borja, Lauren J.; ...

2017-06-01

Understanding excited carrier dynamics in semiconductors is crucial for the development of photovoltaics and efficient photonic devices. However, overlapping spectral features in optical pump-probe spectroscopy often render assignments of separate electron and hole carrier dynamics ambiguous. Here, ultrafast electron and hole dynamics in germanium nanocrystalline thin films are directly and simultaneously observed by ultrafast transient absorption spectroscopy in the extreme ultraviolet at the germanium M 4,5 edge. We decompose the spectra into contributions of electronic state blocking and photo-induced band shifts at a carrier density of 8 × 10 20 cm –3. Separate electron and hole relaxation times are observedmore » as a function of hot carrier energies. A first-order electron and hole decay of ~1 ps suggests a Shockley–Read–Hall recombination mechanism. Furthermore, the simultaneous observation of electrons and holes with extreme ultraviolet transient absorption spectroscopy paves the way for investigating few- to sub-femtosecond dynamics of both holes and electrons in complex semiconductor materials and across junctions.« less

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium

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

Zurch, Michael; Chang, Hung -Tzu; Borja, Lauren J.

Understanding excited carrier dynamics in semiconductors is crucial for the development of photovoltaics and efficient photonic devices. However, overlapping spectral features in optical pump-probe spectroscopy often render assignments of separate electron and hole carrier dynamics ambiguous. Here, ultrafast electron and hole dynamics in germanium nanocrystalline thin films are directly and simultaneously observed by ultrafast transient absorption spectroscopy in the extreme ultraviolet at the germanium M 4,5 edge. We decompose the spectra into contributions of electronic state blocking and photo-induced band shifts at a carrier density of 8 × 10 20 cm –3. Separate electron and hole relaxation times are observedmore » as a function of hot carrier energies. A first-order electron and hole decay of ~1 ps suggests a Shockley–Read–Hall recombination mechanism. Furthermore, the simultaneous observation of electrons and holes with extreme ultraviolet transient absorption spectroscopy paves the way for investigating few- to sub-femtosecond dynamics of both holes and electrons in complex semiconductor materials and across junctions.« less

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium.

PubMed

Zürch, Michael; Chang, Hung-Tzu; Borja, Lauren J; Kraus, Peter M; Cushing, Scott K; Gandman, Andrey; Kaplan, Christopher J; Oh, Myoung Hwan; Prell, James S; Prendergast, David; Pemmaraju, Chaitanya D; Neumark, Daniel M; Leone, Stephen R

2017-06-01

Understanding excited carrier dynamics in semiconductors is crucial for the development of photovoltaics and efficient photonic devices. However, overlapping spectral features in optical pump-probe spectroscopy often render assignments of separate electron and hole carrier dynamics ambiguous. Here, ultrafast electron and hole dynamics in germanium nanocrystalline thin films are directly and simultaneously observed by ultrafast transient absorption spectroscopy in the extreme ultraviolet at the germanium M 4,5 edge. We decompose the spectra into contributions of electronic state blocking and photo-induced band shifts at a carrier density of 8 × 10 20  cm -3 . Separate electron and hole relaxation times are observed as a function of hot carrier energies. A first-order electron and hole decay of ∼1 ps suggests a Shockley-Read-Hall recombination mechanism. The simultaneous observation of electrons and holes with extreme ultraviolet transient absorption spectroscopy paves the way for investigating few- to sub-femtosecond dynamics of both holes and electrons in complex semiconductor materials and across junctions.

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium

PubMed Central

Zürch, Michael; Chang, Hung-Tzu; Borja, Lauren J.; Kraus, Peter M.; Cushing, Scott K.; Gandman, Andrey; Kaplan, Christopher J.; Oh, Myoung Hwan; Prell, James S.; Prendergast, David; Pemmaraju, Chaitanya D.; Neumark, Daniel M.; Leone, Stephen R.

2017-01-01

Understanding excited carrier dynamics in semiconductors is crucial for the development of photovoltaics and efficient photonic devices. However, overlapping spectral features in optical pump-probe spectroscopy often render assignments of separate electron and hole carrier dynamics ambiguous. Here, ultrafast electron and hole dynamics in germanium nanocrystalline thin films are directly and simultaneously observed by ultrafast transient absorption spectroscopy in the extreme ultraviolet at the germanium M4,5 edge. We decompose the spectra into contributions of electronic state blocking and photo-induced band shifts at a carrier density of 8 × 1020 cm−3. Separate electron and hole relaxation times are observed as a function of hot carrier energies. A first-order electron and hole decay of ∼1 ps suggests a Shockley–Read–Hall recombination mechanism. The simultaneous observation of electrons and holes with extreme ultraviolet transient absorption spectroscopy paves the way for investigating few- to sub-femtosecond dynamics of both holes and electrons in complex semiconductor materials and across junctions. PMID:28569752

Ultrafast Hole Trapping and Relaxation Dynamics in p-Type CuS Nanodisks

DOE PAGES

Ludwig, John; An, Li; Pattengale, Brian; ...

2015-06-22

CuS nanocrystals are potential materials for developing low-cost solar energy conversion devices. Understanding the underlying dynamics of photoinduced carriers in CuS nanocrystals is essential to improve their performance in these devices. In this work, we investigated the photoinduced hole dynamics in CuS nanodisks (NDs) using the combination of transient optical (OTA) and X-ray (XTA) absorption spectroscopy. OTA results show that the broad transient absorption in the visible region is attributed to the photoinduced hot and trapped holes. The hole trapping process occurs on a subpicosecond time scale, followed by carrier recombination (~100 ps). The nature of the hole trapping sites,more » revealed by XTA, is characteristic of S or organic ligands on the surface of CuS NDs. Lastly, these results not only suggest the possibility to control the hole dynamics by tuning the surface chemistry of CuS but also represent the first time observation of hole dynamics in semiconductor nanocrystals using XTA.« less

Mechanism of transient force augmentation varying with two distinct timescales for interacting vortex rings

NASA Astrophysics Data System (ADS)

Fu, Zhidong; Qin, Suyang; Liu, Hong

2014-01-01

The dynamics of dual vortex ring flows is studied experimentally and numerically in a model system that consists of a piston-cylinder apparatus. The flows are generated by double identical strokes which have the velocity profile characterized by the sinusoidal function of half the period. By calculating the total wake impulse in two strokes in the experiments, it is found that the average propulsive force increases by 50% in the second stroke for the sufficiently small stroke length, compared with the first stroke. In the numerical simulations, two types of transient force augmentation are revealed, there being the transient force augmentation for the small stroke lengths and the absolute transient force augmentation for the large stroke lengths. The relative transient force augmentation increases to 78% for L/D = 1, while the absolute transient force augmentation for L/D = 4 is twice as much as that for L/D = 1. Further investigation demonstrates that the force augmentation is attributed to the interaction between vortex rings, which induces transport of vortex impulse and more evident fluid entrainment. The critical situation of vortex ring separation is defined and indicated, with vortex spacing falling in a narrow gap when the stroke lengths vary. A new model is proposed concerning the limiting process of impulse, further suggesting that apart from vortex formation timescale, vortex spacing should be interpreted as an independent timescale to reflect the dynamics of vortex interaction.

Convergence studies of deterministic methods for LWR explicit reflector methodology

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

Canepa, S.; Hursin, M.; Ferroukhi, H.

2013-07-01

The standard approach in modem 3-D core simulators, employed either for steady-state or transient simulations, is to use Albedo coefficients or explicit reflectors at the core axial and radial boundaries. In the latter approach, few-group homogenized nuclear data are a priori produced with lattice transport codes using 2-D reflector models. Recently, the explicit reflector methodology of the deterministic CASMO-4/SIMULATE-3 code system was identified to potentially constitute one of the main sources of errors for core analyses of the Swiss operating LWRs, which are all belonging to GII design. Considering that some of the new GIII designs will rely on verymore » different reflector concepts, a review and assessment of the reflector methodology for various LWR designs appeared as relevant. Therefore, the purpose of this paper is to first recall the concepts of the explicit reflector modelling approach as employed by CASMO/SIMULATE. Then, for selected reflector configurations representative of both GII and GUI designs, a benchmarking of the few-group nuclear data produced with the deterministic lattice code CASMO-4 and its successor CASMO-5, is conducted. On this basis, a convergence study with regards to geometrical requirements when using deterministic methods with 2-D homogenous models is conducted and the effect on the downstream 3-D core analysis accuracy is evaluated for a typical GII deflector design in order to assess the results against available plant measurements. (authors)« less

Laser-combined scanning tunnelling microscopy for probing ultrafast transient dynamics.

PubMed

Terada, Yasuhiko; Yoshida, Shoji; Takeuchi, Osamu; Shigekawa, Hidemi

2010-07-07

The development of time-resolved scanning tunnelling microscopy (STM), in particular, attempts to combine STM with ultrafast laser technology, is reviewed with emphasis on observed physical quantities and spatiotemporal resolution. Ultrashort optical pulse technology has allowed us to observe transient phenomena in the femtosecond range, which, however, has the drawback of a relatively low spatial resolution due to the electromagnetic wavelength used. In contrast, STM and its related techniques, although the time resolution is limited by the circuit bandwidth (∼100 kHz), enable us to observe structures at the atomic level in real space. Our purpose has been to combine these two techniques to achieve a new technology that satisfies the requirements for exploring the ultrafast transient dynamics of the local quantum functions in organized small structures, which will advance the pursuit of future nanoscale scientific research in terms of the ultimate temporal and spatial resolutions. © 2010 IOP Publishing Ltd

Blade loss transient dynamics analysis, volume 2. Task 2: Theoretical and analytical development. Task 3: Experimental verification

NASA Technical Reports Server (NTRS)

Gallardo, V. C.; Storace, A. S.; Gaffney, E. F.; Bach, L. J.; Stallone, M. J.

1981-01-01

The component element method was used to develop a transient dynamic analysis computer program which is essentially based on modal synthesis combined with a central, finite difference, numerical integration scheme. The methodology leads to a modular or building-block technique that is amenable to computer programming. To verify the analytical method, turbine engine transient response analysis (TETRA), was applied to two blade-out test vehicles that had been previously instrumented and tested. Comparison of the time dependent test data with those predicted by TETRA led to recommendations for refinement or extension of the analytical method to improve its accuracy and overcome its shortcomings. The development of working equations, their discretization, numerical solution scheme, the modular concept of engine modelling, the program logical structure and some illustrated results are discussed. The blade-loss test vehicles (rig full engine), the type of measured data, and the engine structural model are described.

Strain and thermally induced magnetic dynamics and spin current in magnetic insulators subject to transient optical grating

NASA Astrophysics Data System (ADS)

Wang, Xi-Guang; Chotorlishvili, Levan; Berakdar, Jamal

2017-07-01

We analyze the magnetic dynamics and particularlythe spin current in an open-circuit ferromagnetic insulator irradiated by two intense, phase-locked laser pulses. The interference of the laser beams generates a transient optical grating and a transient spatio-temporal temperature distribution. Both effects lead to elastic and heat waves at the surface and into the bulk of the sample. The strain induced spin current as well as the thermally induced magnonic spin current are evaluated numerically on the basis of micromagnetic simulations using solutions of the heat equation. We observe that the thermo-elastically induced magnonic spin current propagates on a distance larger than the characteristic size of thermal profile, an effect useful for applications in remote detection of spin caloritronics phenomena. Our findings point out that exploiting strain adds a new twist to heat-assisted magnetic switching and spin-current generation for spintronic applications.

REVIEWS OF TOPICAL PROBLEMS: Nonlinear dynamics of the brain: emotion and cognition

NASA Astrophysics Data System (ADS)

Rabinovich, Mikhail I.; Muezzinoglu, M. K.

2010-07-01

Experimental investigations of neural system functioning and brain activity are standardly based on the assumption that perceptions, emotions, and cognitive functions can be understood by analyzing steady-state neural processes and static tomographic snapshots. The new approaches discussed in this review are based on the analysis of transient processes and metastable states. Transient dynamics is characterized by two basic properties, structural stability and information sensitivity. The ideas and methods that we discuss provide an explanation for the occurrence of and successive transitions between metastable states observed in experiments, and offer new approaches to behavior analysis. Models of the emotional and cognitive functions of the brain are suggested. The mathematical object that represents the observed transient brain processes in the phase space of the model is a structurally stable heteroclinic channel. The possibility of using the suggested models to construct a quantitative theory of some emotional and cognitive functions is illustrated.

Transient dynamics of a nonlinear magneto-optical rotation

NASA Astrophysics Data System (ADS)

Grewal, Raghwinder Singh; Pustelny, S.; Rybak, A.; Florkowski, M.

2018-04-01

We analyze nonlinear magneto-optical rotation (NMOR) in rubidium vapor subjected to a continuously scanned magnetic field. By varying the magnetic-field sweep rate, a transition from traditionally observed dispersivelike NMOR signals (low sweep rate) to oscillating signals (higher sweep rates) is demonstrated. The transient oscillatory behavior is studied versus light and magnetic-field parameters, revealing a strong dependence of the signals on magnetic sweep rate and light intensity. The experimental results are supported with density-matrix calculations, which enable quantitative analysis of the effect. Fitting of the signals simulated versus different parameters with a theoretically motivated curve reveals the presence of oscillatory and static components in the signals. The components depend differently on the system parameters, which suggests their distinct nature. The investigations provide insight into the dynamics of ground-state coherence generation and enable application of NMOR in detection of transient spin couplings.

Natural gas operations: considerations on process transients, design, and control.

PubMed

Manenti, Flavio

2012-03-01

This manuscript highlights tangible benefits deriving from the dynamic simulation and control of operational transients of natural gas processing plants. Relevant improvements in safety, controllability, operability, and flexibility are obtained not only within the traditional applications, i.e. plant start-up and shutdown, but also in certain fields apparently time-independent such as the feasibility studies of gas processing plant layout and the process design of processes. Specifically, this paper enhances the myopic steady-state approach and its main shortcomings with respect to the more detailed studies that take into consideration the non-steady state behaviors. A portion of a gas processing facility is considered as case study. Process transients, design, and control solutions apparently more appealing from a steady-state approach are compared to the corresponding dynamic simulation solutions. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.

Transient behavior of flare-associated solar wind. II - Gas dynamics in a nonradial open field region

NASA Technical Reports Server (NTRS)

Nagai, F.

1984-01-01

Transient behavior of flare-associated solar wind in the nonradial open field region is numerically investigated, taking into account the thermal and dynamical coupling between the chromosphere and the corona. A realistic steady solar wind is constructed which passes through the inner X-type critical point in the rapidly diverging region. The wind speed shows a local maximum at the middle, O-type, critical point. The wind's density and pressure distributions decrease abruptly in the rapidly diverging region of the flow tube. The transient behavior of the wind following flare energy deposition includes ascending and descending conduction fronts. Thermal instability occurs in the lower corona, and ascending material flows out through the throat after the flare energy input ceases. A local density distribution peak is generated at the shock front due to the pressure deficit just behind the shock front.

A dynamic appearance descriptor approach to facial actions temporal modeling.

PubMed

Jiang, Bihan; Valstar, Michel; Martinez, Brais; Pantic, Maja

2014-02-01

Both the configuration and the dynamics of facial expressions are crucial for the interpretation of human facial behavior. Yet to date, the vast majority of reported efforts in the field either do not take the dynamics of facial expressions into account, or focus only on prototypic facial expressions of six basic emotions. Facial dynamics can be explicitly analyzed by detecting the constituent temporal segments in Facial Action Coding System (FACS) Action Units (AUs)-onset, apex, and offset. In this paper, we present a novel approach to explicit analysis of temporal dynamics of facial actions using the dynamic appearance descriptor Local Phase Quantization from Three Orthogonal Planes (LPQ-TOP). Temporal segments are detected by combining a discriminative classifier for detecting the temporal segments on a frame-by-frame basis with Markov Models that enforce temporal consistency over the whole episode. The system is evaluated in detail over the MMI facial expression database, the UNBC-McMaster pain database, the SAL database, the GEMEP-FERA dataset in database-dependent experiments, in cross-database experiments using the Cohn-Kanade, and the SEMAINE databases. The comparison with other state-of-the-art methods shows that the proposed LPQ-TOP method outperforms the other approaches for the problem of AU temporal segment detection, and that overall AU activation detection benefits from dynamic appearance information.

The performance of hafnium and gadolinium self powered neutron detectors in the TREAT reactor

NASA Astrophysics Data System (ADS)

Imel, G. R.; Hart, P. R.

1996-05-01

The use of gadolinium and hafnium self powered neutron detectors in a transient reactor is described in this paper. The detectors were calibrated to the fission rate of U-235 using calibrated fission chambers; the calibration factors were tested in two reactors in steady state and found to be consistent. Calibration of the detectors in transient reactor conditions was done by using uranium wires that were analyzed by radiochemistry techniques to determine total fissions during the transient. This was correlated to the time-integrated current of the detectors during the transient. A temperature correction factor was derived to account for self-shielding effects in the hafnium and gadolinium detectors. The dynamic response of the detectors under transient conditions was studied, and found to be excellent.

Transient responses of phosphoric acid fuel cell power plant system. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Lu, Cheng-Yi

1983-01-01

An analytical and computerized study of the steady state and transient response of a phosphoric acid fuel cell (PAFC) system was completed. Parametric studies and sensitivity analyses of the PAFC system's operation were accomplished. Four non-linear dynamic models of the fuel cell stack, reformer, shift converters, and heat exchangers were developed based on nonhomogeneous non-linear partial differential equations, which include the material, component, energy balance, and electrochemical kinetic features. Due to a lack of experimental data for the dynamic response of the components only the steady state results were compared with data from other sources, indicating reasonably good agreement. A steady state simulation of the entire system was developed using, nonlinear ordinary differential equations. The finite difference method and trial-and-error procedures were used to obtain a solution. Using the model, a PAFC system, that was developed under NASA Grant, NCC3-17, was improved through the optimization of the heat exchanger network. Three types of cooling configurations for cell plates were evaluated to obtain the best current density and temperature distributions. The steady state solutions were used as the initial conditions in the dynamic model. The transient response of a simplified PAFC system, which included all of the major components, subjected to a load change was obtained. Due to the length of the computation time for the transient response calculations, analysis on a real-time computer was not possible. A simulation of the real-time calculations was developed on a batch type computer. The transient response characteristics are needed for the optimization of the design and control of the whole PAFC system. All of the models, procedures and simulations were programmed in Fortran and run on IBM 370 computers at Cleveland State University and the NASA Lewis Research Center.

Dynamic phase coexistence in glass-forming liquids.

PubMed

Pastore, Raffaele; Coniglio, Antonio; Ciamarra, Massimo Pica

2015-07-09

One of the most controversial hypotheses for explaining the heterogeneous dynamics of glasses postulates the temporary coexistence of two phases characterized by a high and by a low diffusivity. In this scenario, two phases with different diffusivities coexist for a time of the order of the relaxation time and mix afterwards. Unfortunately, it is difficult to measure the single-particle diffusivities to test this hypothesis. Indeed, although the non-Gaussian shape of the van-Hove distribution suggests the transient existence of a diffusivity distribution, it is not possible to infer from this quantity whether two or more dynamical phases coexist. Here we provide the first direct observation of the dynamical coexistence of two phases with different diffusivities, by showing that in the deeply supercooled regime the distribution of the single-particle diffusivities acquires a transient bimodal shape. We relate this distribution to the heterogeneity of the dynamics and to the breakdown of the Stokes-Einstein relation, and we show that the coexistence of two dynamical phases occurs up to a timescale growing faster than the relaxation time on cooling, for some of the considered models. Our work offers a basis for rationalizing the dynamics of supercooled liquids and for relating their structural and dynamical properties.

Dynamic reconfiguration of frontal brain networks during executive cognition in humans

PubMed Central

Braun, Urs; Schäfer, Axel; Walter, Henrik; Erk, Susanne; Romanczuk-Seiferth, Nina; Haddad, Leila; Schweiger, Janina I.; Grimm, Oliver; Heinz, Andreas; Tost, Heike; Meyer-Lindenberg, Andreas; Bassett, Danielle S.

2015-01-01

The brain is an inherently dynamic system, and executive cognition requires dynamically reconfiguring, highly evolving networks of brain regions that interact in complex and transient communication patterns. However, a precise characterization of these reconfiguration processes during cognitive function in humans remains elusive. Here, we use a series of techniques developed in the field of “dynamic network neuroscience” to investigate the dynamics of functional brain networks in 344 healthy subjects during a working-memory challenge (the “n-back” task). In contrast to a control condition, in which dynamic changes in cortical networks were spread evenly across systems, the effortful working-memory condition was characterized by a reconfiguration of frontoparietal and frontotemporal networks. This reconfiguration, which characterizes “network flexibility,” employs transient and heterogeneous connectivity between frontal systems, which we refer to as “integration.” Frontal integration predicted neuropsychological measures requiring working memory and executive cognition, suggesting that dynamic network reconfiguration between frontal systems supports those functions. Our results characterize dynamic reconfiguration of large-scale distributed neural circuits during executive cognition in humans and have implications for understanding impaired cognitive function in disorders affecting connectivity, such as schizophrenia or dementia. PMID:26324898

Neurodynamics in the Sensorimotor Loop: Representing Behavior Relevant External Situations

PubMed Central

Pasemann, Frank

2017-01-01

In the context of the dynamical system approach to cognition and supposing that brains or brain-like systems controlling the behavior of autonomous systems are permanently driven by their sensor signals, the paper approaches the question of neurodynamics in the sensorimotor loop in a purely formal way. This is carefully done by addressing the problem in three steps, using the time-discrete dynamics of standard neural networks and a fiber space representation for better clearness. Furthermore, concepts like meta-transients, parametric stability and dynamical forms are introduced, where meta-transients describe the effect of realistic sensor inputs, parametric stability refers to a class of sensor inputs all generating the “same type” of dynamic behavior, and a dynamical form comprises the corresponding class of parametrized dynamical systems. It is argued that dynamical forms are the essential internal representatives of behavior relevant external situations. Consequently, it is suggested that dynamical forms are the basis for a memory of these situations. Finally, based on the observation that not all brain process have a direct effect on the motor activity, a natural splitting of neurodynamics into vertical (internal) and horizontal (effective) parts is introduced. PMID:28217092

COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino Acids.

PubMed

Andrews, Casey T; Elcock, Adrian H

2014-11-11

We describe the derivation of a set of bonded and nonbonded coarse-grained (CG) potential functions for use in implicit-solvent Brownian dynamics (BD) simulations of proteins derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acids. Bonded potential functions were derived from 1 μs MD simulations of each of the 20 canonical amino acids, with histidine modeled in both its protonated and neutral forms; nonbonded potential functions were derived from 1 μs MD simulations of every possible pairing of the amino acids (231 different systems). The angle and dihedral probability distributions and radial distribution functions sampled during MD were used to optimize a set of CG potential functions through use of the iterative Boltzmann inversion (IBI) method. The optimized set of potential functions-which we term COFFDROP (COarse-grained Force Field for Dynamic Representation Of Proteins)-quantitatively reproduced all of the "target" MD distributions. In a first test of the force field, it was used to predict the clustering behavior of concentrated amino acid solutions; the predictions were directly compared with the results of corresponding all-atom explicit-solvent MD simulations and found to be in excellent agreement. In a second test, BD simulations of the small protein villin headpiece were carried out at concentrations that have recently been studied in all-atom explicit-solvent MD simulations by Petrov and Zagrovic ( PLoS Comput. Biol. 2014 , 5 , e1003638). The anomalously strong intermolecular interactions seen in the MD study were reproduced in the COFFDROP simulations; a simple scaling of COFFDROP's nonbonded parameters, however, produced results in better accordance with experiment. Overall, our results suggest that potential functions derived from simulations of pairwise amino acid interactions might be of quite broad applicability, with COFFDROP likely to be especially useful for modeling unfolded or intrinsically disordered proteins.

COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino Acids

PubMed Central

2015-01-01

We describe the derivation of a set of bonded and nonbonded coarse-grained (CG) potential functions for use in implicit-solvent Brownian dynamics (BD) simulations of proteins derived from all-atom explicit-solvent molecular dynamics (MD) simulations of amino acids. Bonded potential functions were derived from 1 μs MD simulations of each of the 20 canonical amino acids, with histidine modeled in both its protonated and neutral forms; nonbonded potential functions were derived from 1 μs MD simulations of every possible pairing of the amino acids (231 different systems). The angle and dihedral probability distributions and radial distribution functions sampled during MD were used to optimize a set of CG potential functions through use of the iterative Boltzmann inversion (IBI) method. The optimized set of potential functions—which we term COFFDROP (COarse-grained Force Field for Dynamic Representation Of Proteins)—quantitatively reproduced all of the “target” MD distributions. In a first test of the force field, it was used to predict the clustering behavior of concentrated amino acid solutions; the predictions were directly compared with the results of corresponding all-atom explicit-solvent MD simulations and found to be in excellent agreement. In a second test, BD simulations of the small protein villin headpiece were carried out at concentrations that have recently been studied in all-atom explicit-solvent MD simulations by Petrov and Zagrovic (PLoS Comput. Biol.2014, 5, e1003638). The anomalously strong intermolecular interactions seen in the MD study were reproduced in the COFFDROP simulations; a simple scaling of COFFDROP’s nonbonded parameters, however, produced results in better accordance with experiment. Overall, our results suggest that potential functions derived from simulations of pairwise amino acid interactions might be of quite broad applicability, with COFFDROP likely to be especially useful for modeling unfolded or intrinsically disordered proteins. PMID:25400526

What can He II 304 Å tell us about transient seismic emission from solar flares?

NASA Astrophysics Data System (ADS)

Lindsey, C.; Donea, A. C.

2017-10-01

After neary 20 years since their discovery by Kosovichev and Zharkova, the mechanics of the release of seismic transients into the solar interior from some flares remain a mystery. Seismically emissive flares invariably show the signatures of intense chromosphere heating consistent with pressure variations sufficient to drive seismic transients commensurate with helioseismic observations-under certain conditions. Magnetic observations show the signatures of apparent magnetic changes, suggesting Lorentz-force transients that could likewise drive seismic transients-similarly subject to certain conditions. But, the diagnostic signatures of both of these prospective drivers are apparent over vast regions from which no significant seismic emission emanates. What distinguishes the source regions of transient seismic emission from the much vaster regions that show the signatures of both transient heating and magnetic variations but are acoustically unproductive? Observations of acoustically active flares in He II 304 Å by the Atomospheric Imaging Assembly (AIA) aboard the Solar Dynamics Observatory (SDO) offer a promising new resource with which to address this question.

A Characterization of Dynamic Reasoning: Reasoning with Time as Parameter

ERIC Educational Resources Information Center

Keene, Karen Allen

2007-01-01

Students incorporate and use the implicit and explicit parameter time to support their mathematical reasoning and deepen their understandings as they participate in a differential equations class during instruction on solutions to systems of differential equations. Therefore, dynamic reasoning is defined as developing and using conceptualizations…

Effect of tidal fluctuations on contaminant transfer to the ocean

USGS Publications Warehouse

Licata, I.L.; Langevin, C.D.; Dausman, A.M.

2007-01-01

Variable-density groundwater flow was simulated to examine the effects that tide has on the coastward migration of a contaminant through a freshwater/saltwater interface and toward a coastal ocean boundary. Simulated ocean tides did not significantly affect the total contaminant mass input to the ocean; however, the difference in tidal and non-tidal simulated concentrations could be as much as 15%. It may be possible to numerically approximate the tidal-driven hydraulic transients in transport models that do not explicitly include tides by locally increasing dispersivity. Copyright ?? 2007 IAHS Press.

How "Hot Precursors" Modify Island Nucleation: A Rate-Equation Model

NASA Astrophysics Data System (ADS)

Morales-Cifuentes, Josue R.; Einstein, T. L.; Pimpinelli, A.

2014-12-01

We propose a novel island nucleation and growth model explicitly including transient (ballistic) mobility of the monomers deposited at rate F , assumed to be in a hot precursor state before thermalizing. In limiting regimes, corresponding to fast (diffusive) and slow (ballistic) thermalization, the island density N obeys scaling N ∝Fα . In between is found a rich, complex behavior, with various distinctive scaling regimes, characterized by effective exponents αeff and activation energies that we compute exactly. Application to N (F ,T ) of recent organic-molecule deposition experiments yields an excellent fit.

Entanglement and nonlocality versus spontaneous emission in two-atom systems

NASA Astrophysics Data System (ADS)

Jakóbczyk, L.; Jamróz, A.

2003-11-01

We study evolution of entanglement of two two-level atoms in the presence of dissipation caused by spontaneous emission. We find explicit formulas for the amount of entanglement as a function of time, in the case of destruction of the initial entanglement and possible creation of a transient entanglement between atoms. We also discuss how spontaneous emission influences nonlocality of states expressed by violation of Bell-CHSH inequality. It is shown that evolving system very quickly becomes local, even if entanglement is still present or produced.

Solving time-dependent two-dimensional eddy current problems

NASA Technical Reports Server (NTRS)

Lee, Min Eig; Hariharan, S. I.; Ida, Nathan

1990-01-01

Transient eddy current calculations are presented for an EM wave-scattering and field-penetrating case in which a two-dimensional transverse magnetic field is incident on a good (i.e., not perfect) and infinitely long conductor. The problem thus posed is of initial boundary-value interface type, where the boundary of the conductor constitutes the interface. A potential function is used for time-domain modeling of the situation, and finite difference-time domain techniques are used to march the potential function explicitly in time. Attention is given to the case of LF radiation conditions.

Preconditioning the Helmholtz Equation for Rigid Ducts

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Kreider, Kevin L.

1998-01-01

An innovative hyperbolic preconditioning technique is developed for the numerical solution of the Helmholtz equation which governs acoustic propagation in ducts. Two pseudo-time parameters are used to produce an explicit iterative finite difference scheme. This scheme eliminates the large matrix storage requirements normally associated with numerical solutions to the Helmholtz equation. The solution procedure is very fast when compared to other transient and steady methods. Optimization and an error analysis of the preconditioning factors are present. For validation, the method is applied to sound propagation in a 2D semi-infinite hard wall duct.

Transient and Dynamic Stability Analysis | Grid Modernization | NREL

Science.gov Websites

are investigating the impact of high penetrations of wind and solar power on the frequency response ) Transient Stability and Frequency Response of the US Western Interconnection under Conditions of High Wind Subcontract Report (2013) Frequency Response of the US Eastern Interconnection under Condition of High Wind

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

Choi, Jeong

The research program reported here is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution (i.e. morphological dynamics and microsegregation) at high undercooling, where conditions depart significantly from local equilibrium. More specifically, through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent (i.e. adaptive) numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method ismore » a suitable means for a self-consistent simulation of transient behavior and operating point selection under rapid growth conditions. Moving beyond the limitations of conventional theoretical/analytical treatments of non-equilibrium solute partitioning, these results serve to substantiate recent experimental findings and analytical treatments for single-phase rapid solidification. The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification, and the energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. Use of these treatments for analytical description of specific single-phase dendritic and cellular operating point selection, however, requires a model for solute partitioning under a given set of growth conditions. Therefore, analytical solute trapping models which describe the chemical partitioning as a function of steady state interface velocities have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these solute trapping models are not rigorously verified due to the difficulty in experimentally measuring under rapid growth conditions. Moreover, since these solute trapping models include kinetic parameters which are difficult to directly measure from experiments, application of the solute trapping models or the associated analytic rapid solidification model is limited. These theoretical models for steady state rapid solidification which incorporate the solute trapping models do not describe the interdependency of solute diffusion, interface kinetics, and alloy thermodynamics. The phase-field approach allows calculating, spontaneously, the non-equilibrium growth effects of alloys and the associated time-dependent growth dynamics, without making the assumptions that solute partitioning is an explicit function of velocity, as is the current convention. In the research described here, by utilizing the phase-field model in the thin-interface limit, incorporating the anti-trapping current term, more quantitatively valid interface kinetics and solute diffusion across the interface are calculated. In order to sufficiently resolve the physical length scales (i.e. interface thickness and diffusion boundary length), grid spacings are continually adjusted in calculations. The full trajectories of transient planar growth dynamics under rapid directional solidification conditions with different pulling velocities are described. As a validation of a model, the predicted steady state conditions are consistent with the analytic approach for rapid growth. It was confirmed that rapid interface dynamics exhibits the abrupt acceleration of the planar front when the effect of the non-equilibrium solute partitioning at the interface becomes signi ficant. This is consistent with the previous linear stability analysis for the non-equilibrium interface dynamics. With an appropriate growth condition, the continuous oscillation dynamics was able to be simulated using continually adjusting grid spacings. This oscillatory dynamics including instantaneous jump of interface velocities are consistent with a previous phenomenological model by and a numerical investigation, which may cause the formation of banded structures. Additionally, the selection of the steady state growth dynamics in the highly undercooled melt is demonstrated. The transition of the growth morphology, interface velocity selection, and solute trapping phenomenon with increasing melt supersaturations was described by the phase-field simulation. The tip selection for the dendritic growth was consistent with Ivantsov's function, and the non-equilibrium chemical partitioning behavior shows good qualitative agreement with the Aziz's solute trapping model even though the model parameter(V D) remains as an arbitrary constant. This work is able to show the possibility of comprehensive description of rapid alloy growth over the entire time-dependent non-equilibrium phenomenon.« less

Numerical study of vortex rope during load rejection of a prototype pump-turbine

NASA Astrophysics Data System (ADS)

Liu, J. T.; Liu, S. H.; Sun, Y. K.; Wu, Y. L.; Wang, L. Q.

2012-11-01

A transient process of load rejection of a prototype pump-turbine was studied by three dimensional, unsteady simulations, as well as steady calculations.Dynamic mesh (DM) method and remeshing method were used to simulate the rotation of guide vanes and runner. The rotational speed of the runner was predicted by fluid couplingmethod. Both the transient calculation and steady calculation were performed based on turbulence model. Results show that steady calculation results have large error in the prediction of the external characteristics of the transient process. The runaway speed can reach 1.15 times the initial rotational speed during the transient process. The vortex rope occurs before the pump-turbine runs at zero moment point. Vortex rope has the same rotating direction with the runner. The vortex rope is separated into two parts as the flow rate decreases to 0. Pressure level decreases during the whole transient process.The transient simulation result were also compared and verified by experimental results. This computational method could be used in the fault diagnosis of transient operation, as well as the optimization of a transient process.

Dynamic characteristics and mechanisms of compressible metallic vapor plume behaviors in transient keyhole during deep penetration fiber laser welding

NASA Astrophysics Data System (ADS)

Pang, Shengyong; Shao, Xinyu; Li, Wen; Chen, Xin; Gong, Shuili

2016-07-01

The compressible metallic vapor plume or plasma plume behaviors in the keyhole during deep penetration laser welding have significant effects on the joint quality. However, these behaviors and their responses to process parameter variations have not been well understood. In this paper, we first systematically study the dynamic characteristics and mechanisms of compressible metallic vapor plume behaviors in transient keyhole during fiber laser welding of 304 stainless steels based on a multiple timescale multiphase model. The time-dependent temperature, pressure, velocity and Mach number distributions of vapor plume under different process parameters are theoretically predicted. It is found that the distributions of the main physical characteristics of vapor plume such as pressure, velocity as well as Mach number in keyhole are usually highly uneven and highly time dependent. The peak difference of the velocity, pressure, temperature and Mach number of the vapor plume in a keyhole could be greater than 200 m/s, 20 kPa, 1000 K and 0.6 Mach, respectively. The vapor plume characteristics in a transient keyhole can experience significant changes within several hundreds of nanoseconds. The formation mechanisms of these dynamic characteristics are mainly due to the mesoscale keyhole hump (sized in several tens of microns) dynamics. It is also demonstrated that it is possible to suppress the oscillations of compressible vapor plume in the keyhole by improving the keyhole stability through decreasing the heat input. However, stabilizing the keyhole could only weaken, but not eliminate, the observed highly uneven and transient characteristics. This finding may pose new challenges for accurate experimental measurements of vapor plume induced by laser welding.

The impact of model detail on power grid resilience measures

NASA Astrophysics Data System (ADS)

Auer, S.; Kleis, K.; Schultz, P.; Kurths, J.; Hellmann, F.

2016-05-01

Extreme events are a challenge to natural as well as man-made systems. For critical infrastructure like power grids, we need to understand their resilience against large disturbances. Recently, new measures of the resilience of dynamical systems have been developed in the complex system literature. Basin stability and survivability respectively assess the asymptotic and transient behavior of a system when subjected to arbitrary, localized but large perturbations in frequency and phase. To employ these methods that assess power grid resilience, we need to choose a certain model detail of the power grid. For the grid topology we considered the Scandinavian grid and an ensemble of power grids generated with a random growth model. So far the most popular model that has been studied is the classical swing equation model for the frequency response of generators and motors. In this paper we study a more sophisticated model of synchronous machines that also takes voltage dynamics into account, and compare it to the previously studied model. This model has been found to give an accurate picture of the long term evolution of synchronous machines in the engineering literature for post fault studies. We find evidence that some stable fix points of the swing equation become unstable when we add voltage dynamics. If this occurs the asymptotic behavior of the system can be dramatically altered, and basin stability estimates obtained with the swing equation can be dramatically wrong. We also find that the survivability does not change significantly when taking the voltage dynamics into account. Further, the limit cycle type asymptotic behaviour is strongly correlated with transient voltages that violate typical operational voltage bounds. Thus, transient voltage bounds are dominated by transient frequency bounds and play no large role for realistic parameters.

Dynamic divisive normalization predicts time-varying value coding in decision-related circuits.

PubMed

Louie, Kenway; LoFaro, Thomas; Webb, Ryan; Glimcher, Paul W

2014-11-26

Normalization is a widespread neural computation, mediating divisive gain control in sensory processing and implementing a context-dependent value code in decision-related frontal and parietal cortices. Although decision-making is a dynamic process with complex temporal characteristics, most models of normalization are time-independent and little is known about the dynamic interaction of normalization and choice. Here, we show that a simple differential equation model of normalization explains the characteristic phasic-sustained pattern of cortical decision activity and predicts specific normalization dynamics: value coding during initial transients, time-varying value modulation, and delayed onset of contextual information. Empirically, we observe these predicted dynamics in saccade-related neurons in monkey lateral intraparietal cortex. Furthermore, such models naturally incorporate a time-weighted average of past activity, implementing an intrinsic reference-dependence in value coding. These results suggest that a single network mechanism can explain both transient and sustained decision activity, emphasizing the importance of a dynamic view of normalization in neural coding. Copyright © 2014 the authors 0270-6474/14/3416046-12$15.00/0.

Coherent fifth-order visible-infrared spectroscopies: ultrafast nonequilibrium vibrational dynamics in solution.

PubMed

Lynch, Michael S; Slenkamp, Karla M; Cheng, Mark; Khalil, Munira

2012-07-05

Obtaining a detailed description of photochemical reactions in solution requires measuring time-evolving structural dynamics of transient chemical species on ultrafast time scales. Time-resolved vibrational spectroscopies are sensitive probes of molecular structure and dynamics in solution. In this work, we develop doubly resonant fifth-order nonlinear visible-infrared spectroscopies to probe nonequilibrium vibrational dynamics among coupled high-frequency vibrations during an ultrafast charge transfer process using a heterodyne detection scheme. The method enables the simultaneous collection of third- and fifth-order signals, which respectively measure vibrational dynamics occurring on electronic ground and excited states on a femtosecond time scale. Our data collection and analysis strategy allows transient dispersed vibrational echo (t-DVE) and dispersed pump-probe (t-DPP) spectra to be extracted as a function of electronic and vibrational population periods with high signal-to-noise ratio (S/N > 25). We discuss how fifth-order experiments can measure (i) time-dependent anharmonic vibrational couplings, (ii) nonequilibrium frequency-frequency correlation functions, (iii) incoherent and coherent vibrational relaxation and transfer dynamics, and (iv) coherent vibrational and electronic (vibronic) coupling as a function of a photochemical reaction.

Comparing Two Forms of Dynamic Assessment and Traditional Assessment of Preschool Phonological Awareness

ERIC Educational Resources Information Center

Kantor, Patricia Thatcher; Wagner, Richard K.; Torgesen, Joseph K.; Rashotte, Carol A.

2011-01-01

The goal of the current study was to compare two forms of dynamic assessment and standard assessment of preschool children's phonological awareness. The first form of dynamic assessment was a form of scaffolding in which item formats were modified in response to an error so as to make the task easier or more explicit. The second form of dynamic…

Quantification of live aboveground forest biomass dynamics with Landsat time-series and field inventory data: A comparison of empirical modeling approaches

Treesearch

Scott L. Powell; Warren B. Cohen; Sean P. Healey; Robert E. Kennedy; Gretchen G. Moisen; Kenneth B. Pierce; Janet L. Ohmann

2010-01-01

Spatially and temporally explicit knowledge of biomass dynamics at broad scales is critical to understanding how forest disturbance and regrowth processes influence carbon dynamics. We modeled live, aboveground tree biomass using Forest Inventory and Analysis (FIA) field data and applied the models to 20+ year time-series of Landsat satellite imagery to...

Impact Testing and Simulation of a Sinusoid Foam Sandwich Energy Absorber

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L; Littell, Justin D.

2015-01-01

A sinusoidal-shaped foam sandwich energy absorber was developed and evaluated at NASA Langley Research Center through multi-level testing and simulation performed under the Transport Rotorcraft Airframe Crash Testbed (TRACT) research project. The energy absorber, designated the "sinusoid," consisted of hybrid carbon- Kevlar® plain weave fabric face sheets, two layers for each face sheet oriented at +/-45deg with respect to the vertical or crush direction, and a closed-cell ELFOAM(TradeMark) P200 polyisocyanurate (2.0-lb/ft3) foam core. The design goal for the energy absorber was to achieve an average floor-level acceleration of between 25- and 40-g during the full-scale crash test of a retrofitted CH-46E helicopter airframe, designated TRACT 2. Variations in the design were assessed through quasi-static and dynamic crush testing of component specimens. Once the design was finalized, a 5-ft-long subfloor beam was fabricated and retrofitted into a barrel section of a CH-46E helicopter. A vertical drop test of the barrel section was conducted onto concrete to evaluate the performance of the energy absorber prior to retrofit into TRACT 2. Finite element models were developed of all test articles and simulations were performed using LSDYNA ®, a commercial nonlinear explicit transient dynamic finite element code. Test analysis results are presented for the sinusoid foam sandwich energy absorber as comparisons of load-displacement and acceleration-time-history responses, as well as predicted and experimental structural deformations and progressive damage for each evaluation level (component testing through barrel section drop testing).

Optimal Dynamics of Intermittent Water Supply

NASA Astrophysics Data System (ADS)

Lieb, Anna; Wilkening, Jon; Rycroft, Chris

2014-11-01

In many urban areas of the developing world, piped water is supplied only intermittently, as valves direct water to different parts of the water distribution system at different times. The flow is transient, and may transition between free-surface and pressurized, resulting in complex dynamical features with important consequences for water suppliers and users. These consequences include degradation of distribution system components, compromised water quality, and inequitable water availability. The goal of this work is to model the important dynamics and identify operating conditions that mitigate certain negative effects of intermittent water supply. Specifically, we will look at valve parameters occurring as boundary conditions in a network model of transient, transition flow through closed pipes. Optimization will be used to find boundary values to minimize pressure gradients and ensure equitable water availability.

Simulating transient dynamics of the time-dependent time fractional Fokker-Planck systems

NASA Astrophysics Data System (ADS)

Kang, Yan-Mei

2016-09-01

For a physically realistic type of time-dependent time fractional Fokker-Planck (FP) equation, derived as the continuous limit of the continuous time random walk with time-modulated Boltzmann jumping weight, a semi-analytic iteration scheme based on the truncated (generalized) Fourier series is presented to simulate the resultant transient dynamics when the external time modulation is a piece-wise constant signal. At first, the iteration scheme is demonstrated with a simple time-dependent time fractional FP equation on finite interval with two absorbing boundaries, and then it is generalized to the more general time-dependent Smoluchowski-type time fractional Fokker-Planck equation. The numerical examples verify the efficiency and accuracy of the iteration method, and some novel dynamical phenomena including polarized motion orientations and periodic response death are discussed.

Fast Virtual Fractional Flow Reserve Based Upon Steady-State Computational Fluid Dynamics Analysis: Results From the VIRTU-Fast Study.

PubMed

Morris, Paul D; Silva Soto, Daniel Alejandro; Feher, Jeroen F A; Rafiroiu, Dan; Lungu, Angela; Varma, Susheel; Lawford, Patricia V; Hose, D Rodney; Gunn, Julian P

2017-08-01

Fractional flow reserve (FFR)-guided percutaneous intervention is superior to standard assessment but remains underused. The authors have developed a novel "pseudotransient" analysis protocol for computing virtual fractional flow reserve (vFFR) based upon angiographic images and steady-state computational fluid dynamics. This protocol generates vFFR results in 189 s (cf >24 h for transient analysis) using a desktop PC, with <1% error relative to that of full-transient computational fluid dynamics analysis. Sensitivity analysis demonstrated that physiological lesion significance was influenced less by coronary or lesion anatomy (33%) and more by microvascular physiology (59%). If coronary microvascular resistance can be estimated, vFFR can be accurately computed in less time than it takes to make invasive measurements.

Linear and nonlinear dynamic analysis by boundary element method. Ph.D. Thesis, 1986 Final Report

NASA Technical Reports Server (NTRS)

Ahmad, Shahid

1991-01-01

An advanced implementation of the direct boundary element method (BEM) applicable to free-vibration, periodic (steady-state) vibration and linear and nonlinear transient dynamic problems involving two and three-dimensional isotropic solids of arbitrary shape is presented. Interior, exterior, and half-space problems can all be solved by the present formulation. For the free-vibration analysis, a new real variable BEM formulation is presented which solves the free-vibration problem in the form of algebraic equations (formed from the static kernels) and needs only surface discretization. In the area of time-domain transient analysis, the BEM is well suited because it gives an implicit formulation. Although the integral formulations are elegant, because of the complexity of the formulation it has never been implemented in exact form. In the present work, linear and nonlinear time domain transient analysis for three-dimensional solids has been implemented in a general and complete manner. The formulation and implementation of the nonlinear, transient, dynamic analysis presented here is the first ever in the field of boundary element analysis. Almost all the existing formulation of BEM in dynamics use the constant variation of the variables in space and time which is very unrealistic for engineering problems and, in some cases, it leads to unacceptably inaccurate results. In the present work, linear and quadratic isoparametric boundary elements are used for discretization of geometry and functional variations in space. In addition, higher order variations in time are used. These methods of analysis are applicable to piecewise-homogeneous materials, such that not only problems of the layered media and the soil-structure interaction can be analyzed but also a large problem can be solved by the usual sub-structuring technique. The analyses have been incorporated in a versatile, general-purpose computer program. Some numerical problems are solved and, through comparisons with available analytical and numerical results, the stability and high accuracy of these dynamic analysis techniques are established.

Understanding the demographic drivers of realized population growth rates.

PubMed

Koons, David N; Arnold, Todd W; Schaub, Michael

2017-10-01

Identifying the demographic parameters (e.g., reproduction, survival, dispersal) that most influence population dynamics can increase conservation effectiveness and enhance ecological understanding. Life table response experiments (LTRE) aim to decompose the effects of change in parameters on past demographic outcomes (e.g., population growth rates). But the vast majority of LTREs and other retrospective population analyses have focused on decomposing asymptotic population growth rates, which do not account for the dynamic interplay between population structure and vital rates that shape realized population growth rates (λt=Nt+1/Nt) in time-varying environments. We provide an empirical means to overcome these shortcomings by merging recently developed "transient life-table response experiments" with integrated population models (IPMs). IPMs allow for the estimation of latent population structure and other demographic parameters that are required for transient LTRE analysis, and Bayesian versions additionally allow for complete error propagation from the estimation of demographic parameters to derivations of realized population growth rates and perturbation analyses of growth rates. By integrating available monitoring data for Lesser Scaup over 60 yr, and conducting transient LTREs on IPM estimates, we found that the contribution of juvenile female survival to long-term variation in realized population growth rates was 1.6 and 3.7 times larger than that of adult female survival and fecundity, respectively. But a persistent long-term decline in fecundity explained 92% of the decline in abundance between 1983 and 2006. In contrast, an improvement in adult female survival drove the modest recovery in Lesser Scaup abundance since 2006, indicating that the most important demographic drivers of Lesser Scaup population dynamics are temporally dynamic. In addition to resolving uncertainty about Lesser Scaup population dynamics, the merger of IPMs with transient LTREs will strengthen our understanding of demography for many species as we aim to conserve biodiversity during an era of non-stationary global change. © 2017 by the Ecological Society of America.

Multi-Scale Ballistic Material Modeling of Cross-Plied Compliant Composites

DTIC Science & Technology

2009-01-01

PERFORMING ORGANIZATION REPORT NUMBER 19a. NAME OF RESPONSIBLE PERSON 19b. TELEPHONE NUMBER Mica Grujicic 864-656-5639 3. DATES COVERED (From - To...Autodyn [ANSYS/Autodyn version 11.0, User Documentation, Century Dynamics Inc. a subsidiary of ANSYS Inc. (2007)] and ABA- QUS /Explicit [ABAQUS...matrix, Fig. 3(b). Bonding between the matrix and the filaments is represented using 7056 ‘‘cohesive” elements, (ABA- QUS /Explicit designation COH3D6

Biomass and fire dynamics in a temperate forest-grassland mosaic: Integrating multi-species herbivory, climate, and fire with the FireBGCv2/GrazeBGC system

Treesearch

Robert A. Riggs; Robert E. Keane; Norm Cimon; Rachel Cook; Lisa Holsinger; John Cook; Timothy DelCurto; L.Scott Baggett; Donald Justice; David Powell; Martin Vavra; Bridgett Naylor

2015-01-01

Landscape fire succession models (LFSMs) predict spatially-explicit interactions between vegetation succession and disturbance, but these models have yet to fully integrate ungulate herbivory as a driver of their processes. We modified a complex LFSM, FireBGCv2, to include a multi-species herbivory module, GrazeBGC. The system is novel in that it explicitly...

The Avoidance of Saturation Limits in Magnetic Bearing Systems During Transient Excitation

NASA Technical Reports Server (NTRS)

Rutland, Neil K.; Keogh, Patrick S.; Burrows, Clifford R.

1996-01-01

When a transient event, such as mass loss, occurs in a rotor/magnetic bearing system, optimal vibration control forces may exceed bearing capabilities. This will be inevitable when the mass loss is sufficiently large and a conditionally unstable dynamic system could result if the bearing characteristic become non-linear. This paper provides a controller design procedure to suppress, where possible, bearing force demands below saturation levels while maintaining vibration control. It utilizes H(sub infinity) optimization with appropriate input and output weightings. Simulation of transient behavior following mass loss from a flexible rotor is used to demonstrate the avoidance of conditional instability. A compromise between transient control force and vibration levels was achieved.

Multivariate dynamical modelling of structural change during development.

PubMed

Ziegler, Gabriel; Ridgway, Gerard R; Blakemore, Sarah-Jayne; Ashburner, John; Penny, Will

2017-02-15

Here we introduce a multivariate framework for characterising longitudinal changes in structural MRI using dynamical systems. The general approach enables modelling changes of states in multiple imaging biomarkers typically observed during brain development, plasticity, ageing and degeneration, e.g. regional gray matter volume of multiple regions of interest (ROIs). Structural brain states follow intrinsic dynamics according to a linear system with additional inputs accounting for potential driving forces of brain development. In particular, the inputs to the system are specified to account for known or latent developmental growth/decline factors, e.g. due to effects of growth hormones, puberty, or sudden behavioural changes etc. Because effects of developmental factors might be region-specific, the sensitivity of each ROI to contributions of each factor is explicitly modelled. In addition to the external effects of developmental factors on regional change, the framework enables modelling and inference about directed (potentially reciprocal) interactions between brain regions, due to competition for space, or structural connectivity, and suchlike. This approach accounts for repeated measures in typical MRI studies of development and aging. Model inversion and posterior distributions are obtained using earlier established variational methods enabling Bayesian evidence-based comparisons between various models of structural change. Using this approach we demonstrate dynamic cortical changes during brain maturation between 6 and 22 years of age using a large openly available longitudinal paediatric dataset with 637 scans from 289 individuals. In particular, we model volumetric changes in 26 bilateral ROIs, which cover large portions of cortical and subcortical gray matter. We account for (1) puberty-related effects on gray matter regions; (2) effects of an early transient growth process with additional time-lag parameter; (3) sexual dimorphism by modelling parameter differences between boys and girls. There is evidence that the regional pattern of sensitivity to dynamic hidden growth factors in late childhood is similar across genders and shows a consistent anterior-posterior gradient with strongest impact to prefrontal cortex (PFC) brain changes. Finally, we demonstrate the potential of the framework to explore the coupling of structural changes across a priori defined subnetworks using an example of previously established resting state functional connectivity. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Transient analysis using conical shell elements

NASA Technical Reports Server (NTRS)

Yang, J. C. S.; Goeller, J. E.; Messick, W. T.

1973-01-01

The use of the NASTRAN conical shell element in static, eigenvalue, and direct transient analyses is demonstrated. The results of a NASTRAN static solution of an externally pressurized ring-stiffened cylinder agree well with a theoretical discontinuity analysis. Good agreement is also obtained between the NASTRAN direct transient response of a uniform cylinder to a dynamic end load and one-dimensional solutions obtained using a method of characteristics stress wave code and a standing wave solution. Finally, a NASTRAN eigenvalue analysis is performed on a hydroballistic model idealized with conical shell elements.

Transient analysis of energy Transfer Control (ECT) and compressor bleed concepts of remote lift fan control

NASA Technical Reports Server (NTRS)

Sellers, J. F.

1973-01-01

The transient performance of two concepts for control of vertical takeoff aircraft remote lift fans is analyzed and discussed. Both concepts employ flow transfer between pairs of lift fans located in separate parts of the aircraft in order to obtain attitude control moments for hover and low-speed flight. The results presented are from a digital computer, dynamic analysis of the YJ97/LF460 remote drive turbofan. The transient responses of the two systems are presented for step demands in lift and moment.

The nonlinear modified equation approach to analyzing finite difference schemes

NASA Technical Reports Server (NTRS)

Klopfer, G. H.; Mcrae, D. S.

1981-01-01

The nonlinear modified equation approach is taken in this paper to analyze the generalized Lax-Wendroff explicit scheme approximation to the unsteady one- and two-dimensional equations of gas dynamics. Three important applications of the method are demonstrated. The nonlinear modified equation analysis is used to (1) generate higher order accurate schemes, (2) obtain more accurate estimates of the discretization error for nonlinear systems of partial differential equations, and (3) generate an adaptive mesh procedure for the unsteady gas dynamic equations. Results are obtained for all three areas. For the adaptive mesh procedure, mesh point requirements for equal resolution of discontinuities were reduced by a factor of five for a 1-D shock tube problem solved by the explicit MacCormack scheme.

Flux and Hall states in ABJM with dynamical flavors

NASA Astrophysics Data System (ADS)

Bea, Yago; Jokela, Niko; Lippert, Matthew; Ramallo, Alfonso V.; Zoakos, Dimitrios

2015-03-01

We study the physics of probe D6-branes with quantized internal worldvolume flux in the ABJM background with unquenched massless flavors. This flux breaks parity in the (2+1)-dimensional gauge theory and allows quantum Hall states. Parity breaking is also explicitly demonstrated via the helicity dependence of the meson spectrum. We obtain general expressions for the conductivities, both in the gapped Minkowski embeddings and in the compressible black hole ones. These conductivities depend on the flux and contain a contribution from the dynamical flavors which can be regarded as an effect of intrinsic disorder due to quantum fluctuations of the fundamentals. We present an explicit, analytic family of supersymmetric solutions with nonzero charge density, electric, and magnetic fields.

A Random Walk in the Park: An Individual-Based Null Model for Behavioral Thermoregulation.

PubMed

Vickers, Mathew; Schwarzkopf, Lin

2016-04-01

Behavioral thermoregulators leverage environmental temperature to control their body temperature. Habitat thermal quality therefore dictates the difficulty and necessity of precise thermoregulation, and the quality of behavioral thermoregulation in turn impacts organism fitness via the thermal dependence of performance. Comparing the body temperature of a thermoregulator with a null (non-thermoregulating) model allows us to estimate habitat thermal quality and the effect of behavioral thermoregulation on body temperature. We define a null model for behavioral thermoregulation that is a random walk in a temporally and spatially explicit thermal landscape. Predicted body temperature is also integrated through time, so recent body temperature history, environmental temperature, and movement influence current body temperature; there is no particular reliance on an organism's equilibrium temperature. We develop a metric called thermal benefit that equates body temperature to thermally dependent performance as a proxy for fitness. We measure thermal quality of two distinct tropical habitats as a temporally dynamic distribution that is an ergodic property of many random walks, and we compare it with the thermal benefit of real lizards in both habitats. Our simple model focuses on transient body temperature; as such, using it we observe such subtleties as shifts in the thermoregulatory effort and investment of lizards throughout the day, from thermoregulators to thermoconformers.

Observationally-based Metrics of Ocean Carbon and Biogeochemical Variables are Essential for Evaluating Earth System Model Projections

NASA Astrophysics Data System (ADS)

Russell, J. L.; Sarmiento, J. L.

2017-12-01

The Southern Ocean is central to the climate's response to increasing levels of atmospheric greenhouse gases as it ventilates a large fraction of the global ocean volume. Global coupled climate models and earth system models, however, vary widely in their simulations of the Southern Ocean and its role in, and response to, the ongoing anthropogenic forcing. Due to its complex water-mass structure and dynamics, Southern Ocean carbon and heat uptake depend on a combination of winds, eddies, mixing, buoyancy fluxes and topography. Understanding how the ocean carries heat and carbon into its interior and how the observed wind changes are affecting this uptake is essential to accurately projecting transient climate sensitivity. Observationally-based metrics are critical for discerning processes and mechanisms, and for validating and comparing climate models. As the community shifts toward Earth system models with explicit carbon simulations, more direct observations of important biogeochemical parameters, like those obtained from the biogeochemically-sensored floats that are part of the Southern Ocean Carbon and Climate Observations and Modeling project, are essential. One goal of future observing systems should be to create observationally-based benchmarks that will lead to reducing uncertainties in climate projections, and especially uncertainties related to oceanic heat and carbon uptake.

Evolution of pathogen virulence across space during an epidemic

USGS Publications Warehouse

Osnas, Erik; Hurtado, Paul J.; Dobson, Andrew P.

2015-01-01

We explore pathogen virulence evolution during the spatial expansion of an infectious disease epidemic in the presence of a novel host movement trade-off, using a simple, spatially explicit mathematical model. This work is motivated by empirical observations of the Mycoplasma gallisepticum invasion into North American house finch (Haemorhous mexicanus) populations; however, our results likely have important applications to other emerging infectious diseases in mobile hosts. We assume that infection reduces host movement and survival and that across pathogen strains the severity of these reductions increases with pathogen infectiousness. Assuming these trade-offs between pathogen virulence (host mortality), pathogen transmission, and host movement, we find that pathogen virulence levels near the epidemic front (that maximize wave speed) are lower than those that have a short-term growth rate advantage or that ultimately prevail (i.e., are evolutionarily stable) near the epicenter and where infection becomes endemic (i.e., that maximize the pathogen basic reproductive ratio). We predict that, under these trade-offs, less virulent pathogen strains will dominate the periphery of an epidemic and that more virulent strains will increase in frequency after invasion where disease is endemic. These results have important implications for observing and interpreting spatiotemporal epidemic data and may help explain transient virulence dynamics of emerging infectious diseases.

Simulating the Impact Response of Full-Scale Composite Airframe Structures

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.; Littell, Justin D.; Seal, Michael D.

2012-01-01

NASA Langley Research Center obtained a composite helicopter cabin structure in 2010 from the US Army's Survivable Affordable Repairable Airframe Program (SARAP) that was fabricated by Sikorsky Aircraft Corporation. The cabin had been subjected to a vertical drop test in 2008 to evaluate a tilting roof concept to limit the intrusion of overhead masses into the fuselage cabin. Damage to the cabin test article was limited primarily to the roof. Consequently, the roof area was removed and the remaining structure was cut into test specimens including a large subfloor section and a forward framed fuselage section. In 2011, NASA and Sikorsky entered into a cooperative research agreement to study the impact responses of composite airframe structures and to evaluate the capabilities of the explicit transient dynamic finite element code, LS-DYNA®, to simulate these responses including damage initiation and progressive failure. Most of the test articles were manufactured of graphite unidirectional tape composite with a thermoplastic resin system. However, the framed fuselage section was constructed primarily of a plain weave graphite fabric material with a thermoset resin system. Test data were collected from accelerometers and full-field photogrammetry. The focus of this paper will be to document impact testing and simulation results for the longitudinal impact of the subfloor section and the vertical drop test of the forward framed fuselage section.

A Study of Failure Criteria of Fibrous Composite Materials

NASA Technical Reports Server (NTRS)

Paris, Federico; Jackson, Karen E. (Technical Monitor)

2001-01-01

The research described in this paper is focused on two areas: (1) evaluation of existing composite failure criteria in the nonlinear, explicit transient dynamic finite element code, MSC.Dytran, and (2) exploration of the possibilities for modification of material and failure models to account for large deformations, progressive failure, and interaction of damage accumulation with stress/strain response of laminated composites. Following a review of the MSC.Dytran user manual, a bibliographical review of existing failure criteria of composites was performed. The papers considered most interesting for the objective of this report are discussed in section 2. The failure criteria included in the code under consideration are discussed in section 3. A critical summary of the present procedures to perform analysis and design of composites is presented in section 4. A study of the most important historical failure criteria for fibrous composite materials and some of the more recent modifications proposed were studied. The result of this analysis highlighted inadequacies in the existing failure criteria and the need to perform some numerical analyses to elucidate the answer to questions on which some of the proposed criteria are based. A summary of these ideas, which is a proposal of studies to be developed, is presented in section 5. Finally, some ideas for future developments are summarized in section 6.

Dynamics of Multistage Gear Transmission with Effects of Gearbox Vibrations

NASA Technical Reports Server (NTRS)

Choy, F. K.; Tu, Y. K.; Zakrajsek, J. J.; Townsend, Dennis P.

1990-01-01

A comprehensive approach is presented in analyzing the dynamic behavior of multistage gear transmission systems with the effects of gearbox induced vibrations and mass imbalances of the rotor. The modal method, with undamped frequencies and planar mode shapes, is used to reduce the degrees of freedom of the gear system for time-transient dynamic analysis. Both the lateral and torsional vibration modes of each rotor-bearing-gear stage as well as the interstage vibrational characteristics are coupled together through localized gear mesh tooth interactions. In addition, gearbox vibrations are also coupled to the rotor-bearing-gear system dynamics through bearing support forces between the rotor and the gearbox. Transient and steady state dynamics of lateral and torsional vibrations of the geared system are examined in both time and frequency domains to develop interpretations of the overall modal dynamic characteristics under various operating conditions. A typical three-stage geared system is used as an example. Effects of mass imbalance and gearbox vibrations on the system dynamic behavior are presented in terms of modal excitation functions for both lateral and torsional vibrations. Operational characteristics and conclusions are drawn from the results presented.

On ultrasound-induced microbubble oscillation in a capillary blood vessel and its implications for the blood-brain barrier

NASA Astrophysics Data System (ADS)

Wiedemair, W.; Tuković, Ž.; Jasak, H.; Poulikakos, D.; Kurtcuoglu, V.

2012-02-01

The complex interaction between an ultrasound-driven microbubble and an enclosing capillary microvessel is investigated by means of a coupled, multi-domain numerical model using the finite volume formulation. This system is of interest in the study of transient blood-brain barrier disruption (BBBD) for drug delivery applications. The compliant vessel structure is incorporated explicitly as a distinct domain described by a dedicated physical model. Red blood cells (RBCs) are taken into account as elastic solids in the blood plasma. We report the temporal and spatial development of transmural pressure (Ptm) and wall shear stress (WSS) at the luminal endothelial interface, both of which are candidates for the yet unknown mediator of BBBD. The explicit introduction of RBCs shapes the Ptm and WSS distributions and their derivatives markedly. While the peak values of these mechanical wall parameters are not affected considerably by the presence of RBCs, a pronounced increase in their spatial gradients is observed compared to a configuration with blood plasma alone. The novelty of our work lies in the explicit treatment of the vessel wall, and in the modelling of blood as a composite fluid, which we show to be relevant for the mechanical processes at the endothelium.

Static Analysis of Large-Scale Multibody System Using Joint Coordinates and Spatial Algebra Operator

PubMed Central

Omar, Mohamed A.

2014-01-01

Initial transient oscillations inhibited in the dynamic simulations responses of multibody systems can lead to inaccurate results, unrealistic load prediction, or simulation failure. These transients could result from incompatible initial conditions, initial constraints violation, and inadequate kinematic assembly. Performing static equilibrium analysis before the dynamic simulation can eliminate these transients and lead to stable simulation. Most exiting multibody formulations determine the static equilibrium position by minimizing the system potential energy. This paper presents a new general purpose approach for solving the static equilibrium in large-scale articulated multibody. The proposed approach introduces an energy drainage mechanism based on Baumgarte constraint stabilization approach to determine the static equilibrium position. The spatial algebra operator is used to express the kinematic and dynamic equations of the closed-loop multibody system. The proposed multibody system formulation utilizes the joint coordinates and modal elastic coordinates as the system generalized coordinates. The recursive nonlinear equations of motion are formulated using the Cartesian coordinates and the joint coordinates to form an augmented set of differential algebraic equations. Then system connectivity matrix is derived from the system topological relations and used to project the Cartesian quantities into the joint subspace leading to minimum set of differential equations. PMID:25045732

Visual scan-path analysis with feature space transient fixation moments

NASA Astrophysics Data System (ADS)

Dempere-Marco, Laura; Hu, Xiao-Peng; Yang, Guang-Zhong

2003-05-01

The study of eye movements provides useful insight into the cognitive processes underlying visual search tasks. The analysis of the dynamics of eye movements has often been approached from a purely spatial perspective. In many cases, however, it may not be possible to define meaningful or consistent dynamics without considering the features underlying the scan paths. In this paper, the definition of the feature space has been attempted through the concept of visual similarity and non-linear low dimensional embedding, which defines a mapping from the image space into a low dimensional feature manifold that preserves the intrinsic similarity of image patterns. This has enabled the definition of perceptually meaningful features without the use of domain specific knowledge. Based on this, this paper introduces a new concept called Feature Space Transient Fixation Moments (TFM). The approach presented tackles the problem of feature space representation of visual search through the use of TFM. We demonstrate the practical values of this concept for characterizing the dynamics of eye movements in goal directed visual search tasks. We also illustrate how this model can be used to elucidate the fundamental steps involved in skilled search tasks through the evolution of transient fixation moments.

Ferroelectric negative capacitance domain dynamics

NASA Astrophysics Data System (ADS)

Hoffmann, Michael; Khan, Asif Islam; Serrao, Claudy; Lu, Zhongyuan; Salahuddin, Sayeef; Pešić, Milan; Slesazeck, Stefan; Schroeder, Uwe; Mikolajick, Thomas

2018-05-01

Transient negative capacitance effects in epitaxial ferroelectric Pb(Zr0.2Ti0.8)O3 capacitors are investigated with a focus on the dynamical switching behavior governed by domain nucleation and growth. Voltage pulses are applied to a series connection of the ferroelectric capacitor and a resistor to directly measure the ferroelectric negative capacitance during switching. A time-dependent Ginzburg-Landau approach is used to investigate the underlying domain dynamics. The transient negative capacitance is shown to originate from reverse domain nucleation and unrestricted domain growth. However, with the onset of domain coalescence, the capacitance becomes positive again. The persistence of the negative capacitance state is therefore limited by the speed of domain wall motion. By changing the applied electric field, capacitor area or external resistance, this domain wall velocity can be varied predictably over several orders of magnitude. Additionally, detailed insights into the intrinsic material properties of the ferroelectric are obtainable through these measurements. A new method for reliable extraction of the average negative capacitance of the ferroelectric is presented. Furthermore, a simple analytical model is developed, which accurately describes the negative capacitance transient time as a function of the material properties and the experimental boundary conditions.

Measuring the Influence of Pearlite Dissolution on the Transient Dynamic Strength of Rapidly Heated Plain Carbon Steels

NASA Astrophysics Data System (ADS)

Mates, Steven; Stoudt, Mark; Gangireddy, Sindhura

2016-07-01

Carbon steels containing ferrite-pearlite microstructures weaken dramatically when pearlite dissolves into austenite on heating. The kinetics of this phase transformation, while fast, can play a role during dynamic, high-temperature manufacturing processes, including high-speed machining, when the time scale of this transformation is on the order of the manufacturing process itself. In such a regime, the mechanical strength of carbon steel can become time dependent. The present work uses a rapidly heated, high-strain-rate mechanical test to study the effect of temperature and time on the amount of pearlite dissolved and on the resulting transient effect on dynamic strength of a low and a high carbon (eutectoid) steel. Measurements indicate that the transient effect occurs for heating times less than about 3 s. The 1075 steel loses about twice the strength compared to the 1018 steel (85 MPa to 45 MPa) owing to its higher initial pearlite volume fraction. Pearlite dissolution is confirmed by metallographic examination of tested samples. Despite the different starting pearlite fractions, the kinetics of dissolution are comparable for the two steels, owing to the similarity in their initial pearlite morphology.

Slow-Down in Diffusion in Crowded Protein Solutions Correlates with Transient Cluster Formation.

PubMed

Nawrocki, Grzegorz; Wang, Po-Hung; Yu, Isseki; Sugita, Yuji; Feig, Michael

2017-12-14

For a long time, the effect of a crowded cellular environment on protein dynamics has been largely ignored. Recent experiments indicate that proteins diffuse more slowly in a living cell than in a diluted solution, and further studies suggest that the diffusion depends on the local surroundings. Here, detailed insight into how diffusion depends on protein-protein contacts is presented based on extensive all-atom molecular dynamics simulations of concentrated villin headpiece solutions. After force field adjustments in the form of increased protein-water interactions to reproduce experimental data, translational and rotational diffusion was analyzed in detail. Although internal protein dynamics remained largely unaltered, rotational diffusion was found to slow down more significantly than translational diffusion as the protein concentration increased. The decrease in diffusion is interpreted in terms of a transient formation of protein clusters. These clusters persist on sub-microsecond time scales and follow distributions that increasingly shift toward larger cluster size with increasing protein concentrations. Weighting diffusion coefficients estimated for different clusters extracted from the simulations with the distribution of clusters largely reproduces the overall observed diffusion rates, suggesting that transient cluster formation is a primary cause for a slow-down in diffusion upon crowding with other proteins.

Static analysis of large-scale multibody system using joint coordinates and spatial algebra operator.

PubMed

Omar, Mohamed A

2014-01-01

Initial transient oscillations inhibited in the dynamic simulations responses of multibody systems can lead to inaccurate results, unrealistic load prediction, or simulation failure. These transients could result from incompatible initial conditions, initial constraints violation, and inadequate kinematic assembly. Performing static equilibrium analysis before the dynamic simulation can eliminate these transients and lead to stable simulation. Most exiting multibody formulations determine the static equilibrium position by minimizing the system potential energy. This paper presents a new general purpose approach for solving the static equilibrium in large-scale articulated multibody. The proposed approach introduces an energy drainage mechanism based on Baumgarte constraint stabilization approach to determine the static equilibrium position. The spatial algebra operator is used to express the kinematic and dynamic equations of the closed-loop multibody system. The proposed multibody system formulation utilizes the joint coordinates and modal elastic coordinates as the system generalized coordinates. The recursive nonlinear equations of motion are formulated using the Cartesian coordinates and the joint coordinates to form an augmented set of differential algebraic equations. Then system connectivity matrix is derived from the system topological relations and used to project the Cartesian quantities into the joint subspace leading to minimum set of differential equations.

Probing antibody internal dynamics with fluorescence anisotropy and molecular dynamics simulations.

PubMed

Kortkhonjia, Ekaterine; Brandman, Relly; Zhou, Joe Zhongxiang; Voelz, Vincent A; Chorny, Ilya; Kabakoff, Bruce; Patapoff, Thomas W; Dill, Ken A; Swartz, Trevor E

2013-01-01

The solution dynamics of antibodies are critical to antibody function. We explore the internal solution dynamics of antibody molecules through the combination of time-resolved fluorescence anisotropy experiments on IgG1 with more than two microseconds of all-atom molecular dynamics (MD) simulations in explicit water, an order of magnitude more than in previous simulations. We analyze the correlated motions with a mutual information entropy quantity, and examine state transition rates in a Markov-state model, to give coarse-grained descriptors of the motions. Our MD simulations show that while there are many strongly correlated motions, antibodies are highly flexible, with F(ab) and F(c) domains constantly forming and breaking contacts, both polar and non-polar. We find that salt bridges break and reform, and not always with the same partners. While the MD simulations in explicit water give the right time scales for the motions, the simulated motions are about 3-fold faster than the experiments. Overall, the picture that emerges is that antibodies do not simply fluctuate around a single state of atomic contacts. Rather, in these large molecules, different atoms come in contact during different motions.

Free vibration of functionally graded beams and frameworks using the dynamic stiffness method

NASA Astrophysics Data System (ADS)

Banerjee, J. R.; Ananthapuvirajah, A.

2018-05-01

The free vibration analysis of functionally graded beams (FGBs) and frameworks containing FGBs is carried out by applying the dynamic stiffness method and deriving the elements of the dynamic stiffness matrix in explicit algebraic form. The usually adopted rule that the material properties of the FGB vary continuously through the thickness according to a power law forms the fundamental basis of the governing differential equations of motion in free vibration. The differential equations are solved in closed analytical form when the free vibratory motion is harmonic. The dynamic stiffness matrix is then formulated by relating the amplitudes of forces to those of the displacements at the two ends of the beam. Next, the explicit algebraic expressions for the dynamic stiffness elements are derived with the help of symbolic computation. Finally the Wittrick-Williams algorithm is applied as solution technique to solve the free vibration problems of FGBs with uniform cross-section, stepped FGBs and frameworks consisting of FGBs. Some numerical results are validated against published results, but in the absence of published results for frameworks containing FGBs, consistency checks on the reliability of results are performed. The paper closes with discussion of results and conclusions.

A virtual-system coupled multicanonical molecular dynamics simulation: Principles and applications to free-energy landscape of protein-protein interaction with an all-atom model in explicit solvent

NASA Astrophysics Data System (ADS)

Higo, Junichi; Umezawa, Koji; Nakamura, Haruki

2013-05-01

We propose a novel generalized ensemble method, a virtual-system coupled multicanonical molecular dynamics (V-McMD), to enhance conformational sampling of biomolecules expressed by an all-atom model in an explicit solvent. In this method, a virtual system, of which physical quantities can be set arbitrarily, is coupled with the biomolecular system, which is the target to be studied. This method was applied to a system of an Endothelin-1 derivative, KR-CSH-ET1, known to form an antisymmetric homodimer at room temperature. V-McMD was performed starting from a configuration in which two KR-CSH-ET1 molecules were mutually distant in an explicit solvent. The lowest free-energy state (the most thermally stable state) at room temperature coincides with the experimentally determined native complex structure. This state was separated to other non-native minor clusters by a free-energy barrier, although the barrier disappeared with elevated temperature. V-McMD produced a canonical ensemble faster than a conventional McMD method.

Interface Metaphors for Interactive Machine Learning

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

Jasper, Robert J.; Blaha, Leslie M.

To promote more interactive and dynamic machine learn- ing, we revisit the notion of user-interface metaphors. User-interface metaphors provide intuitive constructs for supporting user needs through interface design elements. A user-interface metaphor provides a visual or action pattern that leverages a user’s knowledge of another domain. Metaphors suggest both the visual representations that should be used in a display as well as the interactions that should be afforded to the user. We argue that user-interface metaphors can also offer a method of extracting interaction-based user feedback for use in machine learning. Metaphors offer indirect, context-based information that can be usedmore » in addition to explicit user inputs, such as user-provided labels. Implicit information from user interactions with metaphors can augment explicit user input for active learning paradigms. Or it might be leveraged in systems where explicit user inputs are more challenging to obtain. Each interaction with the metaphor provides an opportunity to gather data and learn. We argue this approach is especially important in streaming applications, where we desire machine learning systems that can adapt to dynamic, changing data.« less

Interactions between Nanoparticles and Polymer Brushes: Molecular Dynamics Simulations and Self-consistent Field Theory Calculations

NASA Astrophysics Data System (ADS)

Cheng, Shengfeng; Wen, Chengyuan; Egorov, Sergei

2015-03-01

Molecular dynamics simulations and self-consistent field theory calculations are employed to study the interactions between a nanoparticle and a polymer brush at various densities of chains grafted to a plane. Simulations with both implicit and explicit solvent are performed. In either case the nanoparticle is loaded to the brush at a constant velocity. Then a series of simulations are performed to compute the force exerted on the nanoparticle that is fixed at various distances from the grafting plane. The potential of mean force is calculated and compared to the prediction based on a self-consistent field theory. Our simulations show that the explicit solvent leads to effects that are not captured in simulations with implicit solvent, indicating the importance of including explicit solvent in molecular simulations of such systems. Our results also demonstrate an interesting correlation between the force on the nanoparticle and the density profile of the brush. We gratefully acknowledge the support of NVIDIA Corporation with the donation of the Tesla K40 GPU used for this research.

Systems Modeling at Multiple Levels of Regulation: Linking Systems and Genetic Networks to Spatially Explicit Plant Populations

PubMed Central

Kitchen, James L.; Allaby, Robin G.

2013-01-01

Selection and adaptation of individuals to their underlying environments are highly dynamical processes, encompassing interactions between the individual and its seasonally changing environment, synergistic or antagonistic interactions between individuals and interactions amongst the regulatory genes within the individual. Plants are useful organisms to study within systems modeling because their sedentary nature simplifies interactions between individuals and the environment, and many important plant processes such as germination or flowering are dependent on annual cycles which can be disrupted by climate behavior. Sedentism makes plants relevant candidates for spatially explicit modeling that is tied in with dynamical environments. We propose that in order to fully understand the complexities behind plant adaptation, a system that couples aspects from systems biology with population and landscape genetics is required. A suitable system could be represented by spatially explicit individual-based models where the virtual individuals are located within time-variable heterogeneous environments and contain mutable regulatory gene networks. These networks could directly interact with the environment, and should provide a useful approach to studying plant adaptation. PMID:27137364

Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents.

PubMed

Bureau, Hailey R; Merz, Dale R; Hershkovits, Eli; Quirk, Stephen; Hernandez, Rigoberto

2015-01-01

Steered Molecular Dynamics (SMD) has been seen to provide the potential of mean force (PMF) along a peptide unfolding pathway effectively but at significant computational cost, particularly in all-atom solvents. Adaptive steered molecular dynamics (ASMD) has been seen to provide a significant computational advantage by limiting the spread of the trajectories in a staged approach. The contraction of the trajectories at the end of each stage can be performed by taking a structure whose nonequilibrium work is closest to the Jarzynski average (in naive ASMD) or by relaxing the trajectories under a no-work condition (in full-relaxation ASMD--namely, FR-ASMD). Both approaches have been used to determine the energetics and hydrogen-bonding structure along the pathway for unfolding of a benchmark peptide initially constrained as an α-helix in a water environment. The energetics are quite different to those in vacuum, but are found to be similar between implicit and explicit solvents. Surprisingly, the hydrogen-bonding pathways are also similar in the implicit and explicit solvents despite the fact that the solvent contact plays an important role in opening the helix.

Finite BRST-BFV transformations for dynamical systems with second-class constraints

NASA Astrophysics Data System (ADS)

Batalin, Igor A.; Lavrov, Peter M.; Tyutin, Igor V.

2015-06-01

We study finite field-dependent BRST-BFV transformations for dynamical systems with first- and second-class constraints within the generalized Hamiltonian formalism. We find explicitly their Jacobians and the form of a solution to the compensation equation necessary for generating an arbitrary finite change of gauge-fixing functionals in the path integral.

Spatially explicit modeling of mixed-severity fire regimes and landscape dynamics

Treesearch

Michael C. Wimberly; Rebecca S.H. Kennedy

2008-01-01

Simulation models of disturbance and succession are being increasingly applied to characterize landscape composition and dynamics under natural fire regimes, and to evaluate alternative management strategies for ecological restoration and fire hazard reduction. However, we have a limited understanding of how landscapes respond to changes in fire frequency, and about...

Parallel computational fluid dynamics '91; Conference Proceedings, Stuttgart, Germany, Jun. 10-12, 1991

NASA Technical Reports Server (NTRS)

Reinsch, K. G. (Editor); Schmidt, W. (Editor); Ecer, A. (Editor); Haeuser, Jochem (Editor); Periaux, J. (Editor)

1992-01-01

A conference was held on parallel computational fluid dynamics and produced related papers. Topics discussed in these papers include: parallel implicit and explicit solvers for compressible flow, parallel computational techniques for Euler and Navier-Stokes equations, grid generation techniques for parallel computers, and aerodynamic simulation om massively parallel systems.