Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method

PubMed Central

2013-01-01

Background Many proteins tune their biological function by transitioning between different functional states, effectively acting as dynamic molecular machines. Detailed structural characterization of transition trajectories is central to understanding the relationship between protein dynamics and function. Computational approaches that build on the Molecular Dynamics framework are in principle able to model transition trajectories at great detail but also at considerable computational cost. Methods that delay consideration of dynamics and focus instead on elucidating energetically-credible conformational paths connecting two functionally-relevant structures provide a complementary approach. Effective sampling-based path planning methods originating in robotics have been recently proposed to produce conformational paths. These methods largely model short peptides or address large proteins by simplifying conformational space. Methods We propose a robotics-inspired method that connects two given structures of a protein by sampling conformational paths. The method focuses on small- to medium-size proteins, efficiently modeling structural deformations through the use of the molecular fragment replacement technique. In particular, the method grows a tree in conformational space rooted at the start structure, steering the tree to a goal region defined around the goal structure. We investigate various bias schemes over a progress coordinate for balance between coverage of conformational space and progress towards the goal. A geometric projection layer promotes path diversity. A reactive temperature scheme allows sampling of rare paths that cross energy barriers. Results and conclusions Experiments are conducted on small- to medium-size proteins of length up to 214 amino acids and with multiple known functionally-relevant states, some of which are more than 13Å apart of each-other. Analysis reveals that the method effectively obtains conformational paths connecting structural states that are significantly different. A detailed analysis on the depth and breadth of the tree suggests that a soft global bias over the progress coordinate enhances sampling and results in higher path diversity. The explicit geometric projection layer that biases the exploration away from over-sampled regions further increases coverage, often improving proximity to the goal by forcing the exploration to find new paths. The reactive temperature scheme is shown effective in increasing path diversity, particularly in difficult structural transitions with known high-energy barriers. PMID:24565158

Statistical Analysis of the First Passage Path Ensemble of Jump Processes

NASA Astrophysics Data System (ADS)

von Kleist, Max; Schütte, Christof; Zhang, Wei

2018-02-01

The transition mechanism of jump processes between two different subsets in state space reveals important dynamical information of the processes and therefore has attracted considerable attention in the past years. In this paper, we study the first passage path ensemble of both discrete-time and continuous-time jump processes on a finite state space. The main approach is to divide each first passage path into nonreactive and reactive segments and to study them separately. The analysis can be applied to jump processes which are non-ergodic, as well as continuous-time jump processes where the waiting time distributions are non-exponential. In the particular case that the jump processes are both Markovian and ergodic, our analysis elucidates the relations between the study of the first passage paths and the study of the transition paths in transition path theory. We provide algorithms to numerically compute statistics of the first passage path ensemble. The computational complexity of these algorithms scales with the complexity of solving a linear system, for which efficient methods are available. Several examples demonstrate the wide applicability of the derived results across research areas.

Dynamic analysis of geometrically non-linear three-dimensional beams under moving mass

NASA Astrophysics Data System (ADS)

Zupan, E.; Zupan, D.

2018-01-01

In this paper, we present a coupled dynamic analysis of a moving particle on a deformable three-dimensional frame. The presented numerical model is capable of considering arbitrary curved and twisted initial geometry of the beam and takes into account geometric non-linearity of the structure. Coupled with dynamic equations of the structure, the equations of moving particle are solved. The moving particle represents the dynamic load and varies the mass distribution of the structure and at the same time its path is adapting due to deformability of the structure. A coupled geometrically non-linear behaviour of beam and particle is studied. The equation of motion of the particle is added to the system of the beam dynamic equations and an additional unknown representing the coordinate of the curvilinear path of the particle is introduced. The specially designed finite-element formulation of the three-dimensional beam based on the weak form of consistency conditions is employed where only the boundary conditions are affected by the contact forces.

Modeling Dynamic Functional Neuroimaging Data Using Structural Equation Modeling

ERIC Educational Resources Information Center

Price, Larry R.; Laird, Angela R.; Fox, Peter T.; Ingham, Roger J.

2009-01-01

The aims of this study were to present a method for developing a path analytic network model using data acquired from positron emission tomography. Regions of interest within the human brain were identified through quantitative activation likelihood estimation meta-analysis. Using this information, a "true" or population path model was then…

Path lumping: An efficient algorithm to identify metastable path channels for conformational dynamics of multi-body systems

NASA Astrophysics Data System (ADS)

Meng, Luming; Sheong, Fu Kit; Zeng, Xiangze; Zhu, Lizhe; Huang, Xuhui

2017-07-01

Constructing Markov state models from large-scale molecular dynamics simulation trajectories is a promising approach to dissect the kinetic mechanisms of complex chemical and biological processes. Combined with transition path theory, Markov state models can be applied to identify all pathways connecting any conformational states of interest. However, the identified pathways can be too complex to comprehend, especially for multi-body processes where numerous parallel pathways with comparable flux probability often coexist. Here, we have developed a path lumping method to group these parallel pathways into metastable path channels for analysis. We define the similarity between two pathways as the intercrossing flux between them and then apply the spectral clustering algorithm to lump these pathways into groups. We demonstrate the power of our method by applying it to two systems: a 2D-potential consisting of four metastable energy channels and the hydrophobic collapse process of two hydrophobic molecules. In both cases, our algorithm successfully reveals the metastable path channels. We expect this path lumping algorithm to be a promising tool for revealing unprecedented insights into the kinetic mechanisms of complex multi-body processes.

Path Similarity Analysis: A Method for Quantifying Macromolecular Pathways

PubMed Central

Seyler, Sean L.; Kumar, Avishek; Thorpe, M. F.; Beckstein, Oliver

2015-01-01

Diverse classes of proteins function through large-scale conformational changes and various sophisticated computational algorithms have been proposed to enhance sampling of these macromolecular transition paths. Because such paths are curves in a high-dimensional space, it has been difficult to quantitatively compare multiple paths, a necessary prerequisite to, for instance, assess the quality of different algorithms. We introduce a method named Path Similarity Analysis (PSA) that enables us to quantify the similarity between two arbitrary paths and extract the atomic-scale determinants responsible for their differences. PSA utilizes the full information available in 3N-dimensional configuration space trajectories by employing the Hausdorff or Fréchet metrics (adopted from computational geometry) to quantify the degree of similarity between piecewise-linear curves. It thus completely avoids relying on projections into low dimensional spaces, as used in traditional approaches. To elucidate the principles of PSA, we quantified the effect of path roughness induced by thermal fluctuations using a toy model system. Using, as an example, the closed-to-open transitions of the enzyme adenylate kinase (AdK) in its substrate-free form, we compared a range of protein transition path-generating algorithms. Molecular dynamics-based dynamic importance sampling (DIMS) MD and targeted MD (TMD) and the purely geometric FRODA (Framework Rigidity Optimized Dynamics Algorithm) were tested along with seven other methods publicly available on servers, including several based on the popular elastic network model (ENM). PSA with clustering revealed that paths produced by a given method are more similar to each other than to those from another method and, for instance, that the ENM-based methods produced relatively similar paths. PSA applied to ensembles of DIMS MD and FRODA trajectories of the conformational transition of diphtheria toxin, a particularly challenging example, showed that the geometry-based FRODA occasionally sampled the pathway space of force field-based DIMS MD. For the AdK transition, the new concept of a Hausdorff-pair map enabled us to extract the molecular structural determinants responsible for differences in pathways, namely a set of conserved salt bridges whose charge-charge interactions are fully modelled in DIMS MD but not in FRODA. PSA has the potential to enhance our understanding of transition path sampling methods, validate them, and to provide a new approach to analyzing conformational transitions. PMID:26488417

Global Qualitative Flow-Path Modeling for Local State Determination in Simulation and Analysis

NASA Technical Reports Server (NTRS)

Malin, Jane T. (Inventor); Fleming, Land D. (Inventor)

1998-01-01

For qualitative modeling and analysis, a general qualitative abstraction of power transmission variables (flow and effort) for elements of flow paths includes information on resistance, net flow, permissible directions of flow, and qualitative potential is discussed. Each type of component model has flow-related variables and an associated internal flow map, connected into an overall flow network of the system. For storage devices, the implicit power transfer to the environment is represented by "virtual" circuits that include an environmental junction. A heterogeneous aggregation method simplifies the path structure. A method determines global flow-path changes during dynamic simulation and analysis, and identifies corresponding local flow state changes that are effects of global configuration changes. Flow-path determination is triggered by any change in a flow-related device variable in a simulation or analysis. Components (path elements) that may be affected are identified, and flow-related attributes favoring flow in the two possible directions are collected for each of them. Next, flow-related attributes are determined for each affected path element, based on possibly conflicting indications of flow direction. Spurious qualitative ambiguities are minimized by using relative magnitudes and permissible directions of flow, and by favoring flow sources over effort sources when comparing flow tendencies. The results are output to local flow states of affected components.

minepath.org: a free interactive pathway analysis web server.

PubMed

Koumakis, Lefteris; Roussos, Panos; Potamias, George

2017-07-03

( www.minepath.org ) is a web-based platform that elaborates on, and radically extends the identification of differentially expressed sub-paths in molecular pathways. Besides the network topology, the underlying MinePath algorithmic processes exploit exact gene-gene molecular relationships (e.g. activation, inhibition) and are able to identify differentially expressed pathway parts. Each pathway is decomposed into all its constituent sub-paths, which in turn are matched with corresponding gene expression profiles. The highly ranked, and phenotype inclined sub-paths are kept. Apart from the pathway analysis algorithm, the fundamental innovation of the MinePath web-server concerns its advanced visualization and interactive capabilities. To our knowledge, this is the first pathway analysis server that introduces and offers visualization of the underlying and active pathway regulatory mechanisms instead of genes. Other features include live interaction, immediate visualization of functional sub-paths per phenotype and dynamic linked annotations for the engaged genes and molecular relations. The user can download not only the results but also the corresponding web viewer framework of the performed analysis. This feature provides the flexibility to immediately publish results without publishing source/expression data, and get all the functionality of a web based pathway analysis viewer. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Sample path analysis of contribution and reward in cooperative groups.

PubMed

Toyoizumi, Hiroshi

2009-02-07

Explaining cooperative behavior is one of the major challenges in both biology and human society. The individual reward in cooperative group depends on how we share the rewards in the group. Thus, the group size dynamics in a cooperative group and reward-allocation rule seem essential to evaluate the emergence of cooperative groups. We apply a sample path-based analysis called an extension of Little's formula to general cooperative group. We show that the expected reward is insensitive to the specific reward-allocation rule and probabilistic structure of group dynamics, and the simple productivity condition guarantees the expected reward to be larger than the average contribution. As an example, we take social queues to see the insensitivity result in detail.

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.

MinePath: Mining for Phenotype Differential Sub-paths in Molecular Pathways

PubMed Central

Koumakis, Lefteris; Kartsaki, Evgenia; Chatzimina, Maria; Zervakis, Michalis; Vassou, Despoina; Marias, Kostas; Moustakis, Vassilis; Potamias, George

2016-01-01

Pathway analysis methodologies couple traditional gene expression analysis with knowledge encoded in established molecular pathway networks, offering a promising approach towards the biological interpretation of phenotype differentiating genes. Early pathway analysis methodologies, named as gene set analysis (GSA), view pathways just as plain lists of genes without taking into account either the underlying pathway network topology or the involved gene regulatory relations. These approaches, even if they achieve computational efficiency and simplicity, consider pathways that involve the same genes as equivalent in terms of their gene enrichment characteristics. Most recent pathway analysis approaches take into account the underlying gene regulatory relations by examining their consistency with gene expression profiles and computing a score for each profile. Even with this approach, assessing and scoring single-relations limits the ability to reveal key gene regulation mechanisms hidden in longer pathway sub-paths. We introduce MinePath, a pathway analysis methodology that addresses and overcomes the aforementioned problems. MinePath facilitates the decomposition of pathways into their constituent sub-paths. Decomposition leads to the transformation of single-relations to complex regulation sub-paths. Regulation sub-paths are then matched with gene expression sample profiles in order to evaluate their functional status and to assess phenotype differential power. Assessment of differential power supports the identification of the most discriminant profiles. In addition, MinePath assess the significance of the pathways as a whole, ranking them by their p-values. Comparison results with state-of-the-art pathway analysis systems are indicative for the soundness and reliability of the MinePath approach. In contrast with many pathway analysis tools, MinePath is a web-based system (www.minepath.org) offering dynamic and rich pathway visualization functionality, with the unique characteristic to color regulatory relations between genes and reveal their phenotype inclination. This unique characteristic makes MinePath a valuable tool for in silico molecular biology experimentation as it serves the biomedical researchers’ exploratory needs to reveal and interpret the regulatory mechanisms that underlie and putatively govern the expression of target phenotypes. PMID:27832067

MinePath: Mining for Phenotype Differential Sub-paths in Molecular Pathways.

PubMed

Koumakis, Lefteris; Kanterakis, Alexandros; Kartsaki, Evgenia; Chatzimina, Maria; Zervakis, Michalis; Tsiknakis, Manolis; Vassou, Despoina; Kafetzopoulos, Dimitris; Marias, Kostas; Moustakis, Vassilis; Potamias, George

2016-11-01

Pathway analysis methodologies couple traditional gene expression analysis with knowledge encoded in established molecular pathway networks, offering a promising approach towards the biological interpretation of phenotype differentiating genes. Early pathway analysis methodologies, named as gene set analysis (GSA), view pathways just as plain lists of genes without taking into account either the underlying pathway network topology or the involved gene regulatory relations. These approaches, even if they achieve computational efficiency and simplicity, consider pathways that involve the same genes as equivalent in terms of their gene enrichment characteristics. Most recent pathway analysis approaches take into account the underlying gene regulatory relations by examining their consistency with gene expression profiles and computing a score for each profile. Even with this approach, assessing and scoring single-relations limits the ability to reveal key gene regulation mechanisms hidden in longer pathway sub-paths. We introduce MinePath, a pathway analysis methodology that addresses and overcomes the aforementioned problems. MinePath facilitates the decomposition of pathways into their constituent sub-paths. Decomposition leads to the transformation of single-relations to complex regulation sub-paths. Regulation sub-paths are then matched with gene expression sample profiles in order to evaluate their functional status and to assess phenotype differential power. Assessment of differential power supports the identification of the most discriminant profiles. In addition, MinePath assess the significance of the pathways as a whole, ranking them by their p-values. Comparison results with state-of-the-art pathway analysis systems are indicative for the soundness and reliability of the MinePath approach. In contrast with many pathway analysis tools, MinePath is a web-based system (www.minepath.org) offering dynamic and rich pathway visualization functionality, with the unique characteristic to color regulatory relations between genes and reveal their phenotype inclination. This unique characteristic makes MinePath a valuable tool for in silico molecular biology experimentation as it serves the biomedical researchers' exploratory needs to reveal and interpret the regulatory mechanisms that underlie and putatively govern the expression of target phenotypes.

Sampling the multiple folding mechanisms of Trp-cage in explicit solvent

PubMed Central

Juraszek, J.; Bolhuis, P. G.

2006-01-01

We investigate the kinetic pathways of folding and unfolding of the designed miniprotein Trp- cage in explicit solvent. Straightforward molecular dynamics and replica exchange methods both have severe convergence problems, whereas transition path sampling allows us to sample unbiased dynamical pathways between folded and unfolded states and leads to deeper understanding of the mechanisms of (un)folding. In contrast to previous predictions employing an implicit solvent, we find that Trp-cage folds primarily (80% of the paths) via a pathway forming the tertiary contacts and the salt bridge, before helix formation. The remaining 20% of the paths occur in the opposite order, by first forming the helix. The transition states of the rate-limiting steps are solvated native-like structures. Water expulsion is found to be the last step upon folding for each route. Committor analysis suggests that the dynamics of the solvent is not part of the reaction coordinate. Nevertheless, during the transition, specific water molecules are strongly bound and can play a structural role in the folding. PMID:17035504

Drosophila learn efficient paths to a food source.

PubMed

Navawongse, Rapeechai; Choudhury, Deepak; Raczkowska, Marlena; Stewart, James Charles; Lim, Terrence; Rahman, Mashiur; Toh, Alicia Guek Geok; Wang, Zhiping; Claridge-Chang, Adam

2016-05-01

Elucidating the genetic, and neuronal bases for learned behavior is a central problem in neuroscience. A leading system for neurogenetic discovery is the vinegar fly Drosophila melanogaster; fly memory research has identified genes and circuits that mediate aversive and appetitive learning. However, methods to study adaptive food-seeking behavior in this animal have lagged decades behind rodent feeding analysis, largely due to the challenges presented by their small scale. There is currently no method to dynamically control flies' access to food. In rodents, protocols that use dynamic food delivery are a central element of experimental paradigms that date back to the influential work of Skinner. This method is still commonly used in the analysis of learning, memory, addiction, feeding, and many other subjects in experimental psychology. The difficulty of microscale food delivery means this is not a technique used in fly behavior. In the present manuscript we describe a microfluidic chip integrated with machine vision and automation to dynamically control defined liquid food presentations and sensory stimuli. Strikingly, repeated presentations of food at a fixed location produced improvements in path efficiency during food approach. This shows that improved path choice is a learned behavior. Active control of food availability using this microfluidic system is a valuable addition to the methods currently available for the analysis of learned feeding behavior in flies. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Path-integral methods for analyzing the effects of fluctuations in stochastic hybrid neural networks.

PubMed

Bressloff, Paul C

2015-01-01

We consider applications of path-integral methods to the analysis of a stochastic hybrid model representing a network of synaptically coupled spiking neuronal populations. The state of each local population is described in terms of two stochastic variables, a continuous synaptic variable and a discrete activity variable. The synaptic variables evolve according to piecewise-deterministic dynamics describing, at the population level, synapses driven by spiking activity. The dynamical equations for the synaptic currents are only valid between jumps in spiking activity, and the latter are described by a jump Markov process whose transition rates depend on the synaptic variables. We assume a separation of time scales between fast spiking dynamics with time constant [Formula: see text] and slower synaptic dynamics with time constant τ. This naturally introduces a small positive parameter [Formula: see text], which can be used to develop various asymptotic expansions of the corresponding path-integral representation of the stochastic dynamics. First, we derive a variational principle for maximum-likelihood paths of escape from a metastable state (large deviations in the small noise limit [Formula: see text]). We then show how the path integral provides an efficient method for obtaining a diffusion approximation of the hybrid system for small ϵ. The resulting Langevin equation can be used to analyze the effects of fluctuations within the basin of attraction of a metastable state, that is, ignoring the effects of large deviations. We illustrate this by using the Langevin approximation to analyze the effects of intrinsic noise on pattern formation in a spatially structured hybrid network. In particular, we show how noise enlarges the parameter regime over which patterns occur, in an analogous fashion to PDEs. Finally, we carry out a [Formula: see text]-loop expansion of the path integral, and use this to derive corrections to voltage-based mean-field equations, analogous to the modified activity-based equations generated from a neural master equation.

Path-length-resolved dynamic light scattering in highly scattering random media: The transition to diffusing wave spectroscopy

NASA Astrophysics Data System (ADS)

Bizheva, Kostadinka K.; Siegel, Andy M.; Boas, David A.

1998-12-01

We used low coherence interferometry to measure Brownian motion within highly scattering random media. A coherence gate was applied to resolve the optical path-length distribution and to separate ballistic from diffusive light. Our experimental analysis provides details on the transition from single scattering to light diffusion and its dependence on the system parameters. We found that the transition to the light diffusion regime occurs at shorter path lengths for media with higher scattering anisotropy or for larger numerical aperture of the focusing optics.

Path integral analysis of Jarzynski's equality: Analytical results

NASA Astrophysics Data System (ADS)

Minh, David D. L.; Adib, Artur B.

2009-02-01

We apply path integrals to study nonequilibrium work theorems in the context of Brownian dynamics, deriving in particular the equations of motion governing the most typical and most dominant trajectories. For the analytically soluble cases of a moving harmonic potential and a harmonic oscillator with a time-dependent natural frequency, we find such trajectories, evaluate the work-weighted propagators, and validate Jarzynski’s equality.

Data Integration to Explore the Dynamics of Conflict: A Preliminary Study

DTIC Science & Technology

2008-12-01

layered because 19 Gregory F. Treverton and Bryan Gabbard C., Assessing the Analysis of Intelligence...the Path," National Visualization and Analytics Center, 2005. Treverton, Gregory F., and Bryan Gabbard C., “Assessing the Analysis of Intelligence

Langevin Dynamics, Large Deviations and Instantons for the Quasi-Geostrophic Model and Two-Dimensional Euler Equations

NASA Astrophysics Data System (ADS)

Bouchet, Freddy; Laurie, Jason; Zaboronski, Oleg

2014-09-01

We investigate a class of simple models for Langevin dynamics of turbulent flows, including the one-layer quasi-geostrophic equation and the two-dimensional Euler equations. Starting from a path integral representation of the transition probability, we compute the most probable fluctuation paths from one attractor to any state within its basin of attraction. We prove that such fluctuation paths are the time reversed trajectories of the relaxation paths for a corresponding dual dynamics, which are also within the framework of quasi-geostrophic Langevin dynamics. Cases with or without detailed balance are studied. We discuss a specific example for which the stationary measure displays either a second order (continuous) or a first order (discontinuous) phase transition and a tricritical point. In situations where a first order phase transition is observed, the dynamics are bistable. Then, the transition paths between two coexisting attractors are instantons (fluctuation paths from an attractor to a saddle), which are related to the relaxation paths of the corresponding dual dynamics. For this example, we show how one can analytically determine the instantons and compute the transition probabilities for rare transitions between two attractors.

A Method on Dynamic Path Planning for Robotic Manipulator Autonomous Obstacle Avoidance Based on an Improved RRT Algorithm.

PubMed

Wei, Kun; Ren, Bingyin

2018-02-13

In a future intelligent factory, a robotic manipulator must work efficiently and safely in a Human-Robot collaborative and dynamic unstructured environment. Autonomous path planning is the most important issue which must be resolved first in the process of improving robotic manipulator intelligence. Among the path-planning methods, the Rapidly Exploring Random Tree (RRT) algorithm based on random sampling has been widely applied in dynamic path planning for a high-dimensional robotic manipulator, especially in a complex environment because of its probability completeness, perfect expansion, and fast exploring speed over other planning methods. However, the existing RRT algorithm has a limitation in path planning for a robotic manipulator in a dynamic unstructured environment. Therefore, an autonomous obstacle avoidance dynamic path-planning method for a robotic manipulator based on an improved RRT algorithm, called Smoothly RRT (S-RRT), is proposed. This method that targets a directional node extends and can increase the sampling speed and efficiency of RRT dramatically. A path optimization strategy based on the maximum curvature constraint is presented to generate a smooth and curved continuous executable path for a robotic manipulator. Finally, the correctness, effectiveness, and practicability of the proposed method are demonstrated and validated via a MATLAB static simulation and a Robot Operating System (ROS) dynamic simulation environment as well as a real autonomous obstacle avoidance experiment in a dynamic unstructured environment for a robotic manipulator. The proposed method not only provides great practical engineering significance for a robotic manipulator's obstacle avoidance in an intelligent factory, but also theoretical reference value for other type of robots' path planning.

Preserving correlations between trajectories for efficient path sampling

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

Gingrich, Todd R.; Geissler, Phillip L.; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

2015-06-21

Importance sampling of trajectories has proved a uniquely successful strategy for exploring rare dynamical behaviors of complex systems in an unbiased way. Carrying out this sampling, however, requires an ability to propose changes to dynamical pathways that are substantial, yet sufficiently modest to obtain reasonable acceptance rates. Satisfying this requirement becomes very challenging in the case of long trajectories, due to the characteristic divergences of chaotic dynamics. Here, we examine schemes for addressing this problem, which engineer correlation between a trial trajectory and its reference path, for instance using artificial forces. Our analysis is facilitated by a modern perspective onmore » Markov chain Monte Carlo sampling, inspired by non-equilibrium statistical mechanics, which clarifies the types of sampling strategies that can scale to long trajectories. Viewed in this light, the most promising such strategy guides a trial trajectory by manipulating the sequence of random numbers that advance its stochastic time evolution, as done in a handful of existing methods. In cases where this “noise guidance” synchronizes trajectories effectively, as the Glauber dynamics of a two-dimensional Ising model, we show that efficient path sampling can be achieved for even very long trajectories.« less

The navigation system of the JPL robot

NASA Technical Reports Server (NTRS)

Thompson, A. M.

1977-01-01

The control structure of the JPL research robot and the operations of the navigation subsystem are discussed. The robot functions as a network of interacting concurrent processes distributed among several computers and coordinated by a central executive. The results of scene analysis are used to create a segmented terrain model in which surface regions are classified by traversibility. The model is used by a path planning algorithm, PATH, which uses tree search methods to find the optimal path to a goal. In PATH, the search space is defined dynamically as a consequence of node testing. Maze-solving and the use of an associative data base for context dependent node generation are also discussed. Execution of a planned path is accomplished by a feedback guidance process with automatic error recovery.

Spatial curvilinear path following control of underactuated AUV with multiple uncertainties.

PubMed

Miao, Jianming; Wang, Shaoping; Zhao, Zhiping; Li, Yuan; Tomovic, Mileta M

2017-03-01

This paper investigates the problem of spatial curvilinear path following control of underactuated autonomous underwater vehicles (AUVs) with multiple uncertainties. Firstly, in order to design the appropriate controller, path following error dynamics model is constructed in a moving Serret-Frenet frame, and the five degrees of freedom (DOFs) dynamic model with multiple uncertainties is established. Secondly, the proposed control law is separated into kinematic controller and dynamic controller via back-stepping technique. In the case of kinematic controller, to overcome the drawback of dependence on the accurate vehicle model that are present in a number of path following control strategies described in the literature, the unknown side-slip angular velocity and attack angular velocity are treated as uncertainties. Whereas in the case of dynamic controller, the model parameters perturbations, unknown external environmental disturbances and the nonlinear hydrodynamic damping terms are treated as lumped uncertainties. Both kinematic and dynamic uncertainties are estimated and compensated by designed reduced-order linear extended state observes (LESOs). Thirdly, feedback linearization (FL) based control law is implemented for the control model using the estimates generated by reduced-order LESOs. For handling the problem of computational complexity inherent in the conventional back-stepping method, nonlinear tracking differentiators (NTDs) are applied to construct derivatives of the virtual control commands. Finally, the closed loop stability for the overall system is established. Simulation and comparative analysis demonstrate that the proposed controller exhibits enhanced performance in the presence of internal parameter variations, external unknown disturbances, unmodeled nonlinear damping terms, and measurement noises. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

A computer solution for the dynamic load, lubricant film thickness, and surface temperatures in spiral-bevel gears

NASA Technical Reports Server (NTRS)

Chao, H. C.; Baxter, M.; Cheng, H. S.

1983-01-01

A computer method for determining the dynamic load between spiral bevel pinion and gear teeth contact along the path of contact is described. The dynamic load analysis governs both the surface temperature and film thickness. Computer methods for determining the surface temperature, and film thickness are presented along with results obtained for a pair of typical spiral bevel gears.

Predictor laws for pictorial flight displays

NASA Technical Reports Server (NTRS)

Grunwald, A. J.

1985-01-01

Two predictor laws are formulated and analyzed: (1) a circular path law based on constant accelerations perpendicular to the path and (2) a predictor law based on state transition matrix computations. It is shown that for both methods the predictor provides the essential lead zeros for the path-following task. However, in contrast to the circular path law, the state transition matrix law furnishes the system with additional zeros that entirely cancel out the higher-frequency poles of the vehicle dynamics. On the other hand, the circular path law yields a zero steady-state error in following a curved trajectory with a constant radius. A combined predictor law is suggested that utilizes the advantages of both methods. A simple analysis shows that the optimal prediction time mainly depends on the level of precision required in the path-following task, and guidelines for determining the optimal prediction time are given.

Detection, Evaluation, and Optimization of Optical Signals Generated by Fiber Optic Bragg Gratings Under Dynamic Excitations

NASA Technical Reports Server (NTRS)

Adamovsky, Grigory; Lekki, John; Lock, James A.

2002-01-01

The dynamic response of a fiber optic Bragg grating to mechanical vibrations is examined both theoretically and experimentally. The theoretical expressions describing the consequences of changes in the grating's reflection spectrum are derived for partially coherent beams in an interferometer. The analysis is given in terms of the dominant wavelength, optical bandwidth, and optical path difference of the interfering signals. Changes in the reflection spectrum caused by a periodic stretching and compression of the grating were experimentally measured using an unbalanced Michelson interferometer, a Michelson interferometer with a non-zero optical path difference. The interferometer's sensitivity to changes in dominant wavelength of the interfering beams was measured as a function of interferometer unbalance and was compared to theoretical predictions. The theoretical analysis enables the user to determine the optimum performance for an unbalanced interferometer.

Analysis and experimental kinematics of a skid-steering wheeled robot based on a laser scanner sensor.

PubMed

Wang, Tianmiao; Wu, Yao; Liang, Jianhong; Han, Chenhao; Chen, Jiao; Zhao, Qiteng

2015-04-24

Skid-steering mobile robots are widely used because of their simple mechanism and robustness. However, due to the complex wheel-ground interactions and the kinematic constraints, it is a challenge to understand the kinematics and dynamics of such a robotic platform. In this paper, we develop an analysis and experimental kinematic scheme for a skid-steering wheeled vehicle based-on a laser scanner sensor. The kinematics model is established based on the boundedness of the instantaneous centers of rotation (ICR) of treads on the 2D motion plane. The kinematic parameters (the ICR coefficient , the path curvature variable and robot speed ), including the effect of vehicle dynamics, are introduced to describe the kinematics model. Then, an exact but costly dynamic model is used and the simulation of this model's stationary response for the vehicle shows a qualitative relationship for the specified parameters and . Moreover, the parameters of the kinematic model are determined based-on a laser scanner localization experimental analysis method with a skid-steering robotic platform, Pioneer P3-AT. The relationship between the ICR coefficient and two physical factors is studied, i.e., the radius of the path curvature and the robot speed . An empirical function-based relationship between the ICR coefficient of the robot and the path parameters is derived. To validate the obtained results, it is empirically demonstrated that the proposed kinematics model significantly improves the dead-reckoning performance of this skid-steering robot.

Cross-Correlations and Structures of Aero-Engine Gas Path System Based on DCCA Coefficient and Rooted Tree

NASA Astrophysics Data System (ADS)

Dong, Keqiang; Fan, Jie; Gao, You

2015-12-01

Identifying the mutual interaction is a crucial problem that facilitates the understanding of emerging structures in complex system. We here focus on aero-engine dynamic as an example of complex system. By applying the detrended cross-correlation analysis (DCCA) coefficient method to aero-engine gas path system, we find that the low-spool rotor speed (N1) and high-spool rotor speed (N2) fluctuation series exhibit cross-correlation characteristic. Further, we employ detrended cross-correlation coefficient matrix and rooted tree to investigate the mutual interactions of other gas path variables. The results can infer that the exhaust gas temperature (EGT), N1, N2, fuel flow (WF) and engine pressure ratio (EPR) are main gas path parameters.

Pheromone Static Routing Strategy for Complex Networks

NASA Astrophysics Data System (ADS)

Hu, Mao-Bin; Henry, Y. K. Lau; Ling, Xiang; Jiang, Rui

2012-12-01

We adopt the concept of using pheromones to generate a set of static paths that can reach the performance of global dynamic routing strategy [Phys. Rev. E 81 (2010) 016113]. The path generation method consists of two stages. In the first stage, a pheromone is dropped to the nodes by packets forwarded according to the global dynamic routing strategy. In the second stage, pheromone static paths are generated according to the pheromone density. The output paths can greatly improve traffic systems' overall capacity on different network structures, including scale-free networks, small-world networks and random graphs. Because the paths are static, the system needs much less computational resources than the global dynamic routing strategy.

Insights into vehicle trajectories at the handling limits: analysing open data from race car drivers

NASA Astrophysics Data System (ADS)

Kegelman, John C.; Harbott, Lene K.; Gerdes, J. Christian

2017-02-01

Race car drivers can offer insights into vehicle control during extreme manoeuvres; however, little data from race teams is publicly available for analysis. The Revs Program at Stanford has built a collection of vehicle dynamics data acquired from vintage race cars during live racing events with the intent of making this database publicly available for future analysis. This paper discusses the data acquisition, post-processing, and storage methods used to generate the database. An analysis of available data quantifies the repeatability of professional race car driver performance by examining the statistical dispersion of their driven paths. Certain map features, such as sections with high path curvature, consistently corresponded to local minima in path dispersion, quantifying the qualitative concept that drivers anchor their racing lines at specific locations around the track. A case study explores how two professional drivers employ distinct driving styles to achieve similar lap times, supporting the idea that driving at the limits allows a family of solutions in terms of paths and speed that can be adapted based on specific spatial, temporal, or other constraints and objectives.

Predictive Sea State Estimation for Automated Ride Control and Handling - PSSEARCH

NASA Technical Reports Server (NTRS)

Huntsberger, Terrance L.; Howard, Andrew B.; Aghazarian, Hrand; Rankin, Arturo L.

2012-01-01

PSSEARCH provides predictive sea state estimation, coupled with closed-loop feedback control for automated ride control. It enables a manned or unmanned watercraft to determine the 3D map and sea state conditions in its vicinity in real time. Adaptive path-planning/ replanning software and a control surface management system will then use this information to choose the best settings and heading relative to the seas for the watercraft. PSSEARCH looks ahead and anticipates potential impact of waves on the boat and is used in a tight control loop to adjust trim tabs, course, and throttle settings. The software uses sensory inputs including IMU (Inertial Measurement Unit), stereo, radar, etc. to determine the sea state and wave conditions (wave height, frequency, wave direction) in the vicinity of a rapidly moving boat. This information can then be used to plot a safe path through the oncoming waves. The main issues in determining a safe path for sea surface navigation are: (1) deriving a 3D map of the surrounding environment, (2) extracting hazards and sea state surface state from the imaging sensors/map, and (3) planning a path and control surface settings that avoid the hazards, accomplish the mission navigation goals, and mitigate crew injuries from excessive heave, pitch, and roll accelerations while taking into account the dynamics of the sea surface state. The first part is solved using a wide baseline stereo system, where 3D structure is determined from two calibrated pairs of visual imagers. Once the 3D map is derived, anything above the sea surface is classified as a potential hazard and a surface analysis gives a static snapshot of the waves. Dynamics of the wave features are obtained from a frequency analysis of motion vectors derived from the orientation of the waves during a sequence of inputs. Fusion of the dynamic wave patterns with the 3D maps and the IMU outputs is used for efficient safe path planning.

Planning 3-D collision-free paths using spheres

NASA Technical Reports Server (NTRS)

Bonner, Susan; Kelley, Robert B.

1989-01-01

A scheme for the representation of objects, the Successive Spherical Approximation (SSA), facilitates the rapid planning of collision-free paths in a 3-D, dynamic environment. The hierarchical nature of the SSA allows collision-free paths to be determined efficiently while still providing for the exact representation of dynamic objects. The concept of a freespace cell is introduced to allow human 3-D conceptual knowledge to be used in facilitating satisfying choices for paths. Collisions can be detected at a rate better than 1 second per environment object per path. This speed enables the path planning process to apply a hierarchy of rules to create a heuristically satisfying collision-free path.

Quantifying Cell Fate Decisions for Differentiation and Reprogramming of a Human Stem Cell Network: Landscape and Biological Paths

PubMed Central

Li, Chunhe; Wang, Jin

2013-01-01

Cellular reprogramming has been recently intensively studied experimentally. We developed a global potential landscape and kinetic path framework to explore a human stem cell developmental network composed of 52 genes. We uncovered the underlying landscape for the stem cell network with two basins of attractions representing stem and differentiated cell states, quantified and exhibited the high dimensional biological paths for the differentiation and reprogramming process, connecting the stem cell state and differentiated cell state. Both the landscape and non-equilibrium curl flux determine the dynamics of cell differentiation jointly. Flux leads the kinetic paths to be deviated from the steepest descent gradient path, and the corresponding differentiation and reprogramming paths are irreversible. Quantification of paths allows us to find out how the differentiation and reprogramming occur and which important states they go through. We show the developmental process proceeds as moving from the stem cell basin of attraction to the differentiation basin of attraction. The landscape topography characterized by the barrier heights and transition rates quantitatively determine the global stability and kinetic speed of cell fate decision process for development. Through the global sensitivity analysis, we provided some specific predictions for the effects of key genes and regulation connections on the cellular differentiation or reprogramming process. Key links from sensitivity analysis and biological paths can be used to guide the differentiation designs or reprogramming tactics. PMID:23935477

A Scheduling Algorithm for Cloud Computing System Based on the Driver of Dynamic Essential Path.

PubMed

Xie, Zhiqiang; Shao, Xia; Xin, Yu

2016-01-01

To solve the problem of task scheduling in the cloud computing system, this paper proposes a scheduling algorithm for cloud computing based on the driver of dynamic essential path (DDEP). This algorithm applies a predecessor-task layer priority strategy to solve the problem of constraint relations among task nodes. The strategy assigns different priority values to every task node based on the scheduling order of task node as affected by the constraint relations among task nodes, and the task node list is generated by the different priority value. To address the scheduling order problem in which task nodes have the same priority value, the dynamic essential long path strategy is proposed. This strategy computes the dynamic essential path of the pre-scheduling task nodes based on the actual computation cost and communication cost of task node in the scheduling process. The task node that has the longest dynamic essential path is scheduled first as the completion time of task graph is indirectly influenced by the finishing time of task nodes in the longest dynamic essential path. Finally, we demonstrate the proposed algorithm via simulation experiments using Matlab tools. The experimental results indicate that the proposed algorithm can effectively reduce the task Makespan in most cases and meet a high quality performance objective.

A Scheduling Algorithm for Cloud Computing System Based on the Driver of Dynamic Essential Path

PubMed Central

Xie, Zhiqiang; Shao, Xia; Xin, Yu

2016-01-01

To solve the problem of task scheduling in the cloud computing system, this paper proposes a scheduling algorithm for cloud computing based on the driver of dynamic essential path (DDEP). This algorithm applies a predecessor-task layer priority strategy to solve the problem of constraint relations among task nodes. The strategy assigns different priority values to every task node based on the scheduling order of task node as affected by the constraint relations among task nodes, and the task node list is generated by the different priority value. To address the scheduling order problem in which task nodes have the same priority value, the dynamic essential long path strategy is proposed. This strategy computes the dynamic essential path of the pre-scheduling task nodes based on the actual computation cost and communication cost of task node in the scheduling process. The task node that has the longest dynamic essential path is scheduled first as the completion time of task graph is indirectly influenced by the finishing time of task nodes in the longest dynamic essential path. Finally, we demonstrate the proposed algorithm via simulation experiments using Matlab tools. The experimental results indicate that the proposed algorithm can effectively reduce the task Makespan in most cases and meet a high quality performance objective. PMID:27490901

Diversified Control Paths: A Significant Way Disease Genes Perturb the Human Regulatory Network

PubMed Central

Wang, Bingbo; Gao, Lin; Zhang, Qingfang; Li, Aimin; Deng, Yue; Guo, Xingli

2015-01-01

Background The complexity of biological systems motivates us to use the underlying networks to provide deep understanding of disease etiology and the human diseases are viewed as perturbations of dynamic properties of networks. Control theory that deals with dynamic systems has been successfully used to capture systems-level knowledge in large amount of quantitative biological interactions. But from the perspective of system control, the ways by which multiple genetic factors jointly perturb a disease phenotype still remain. Results In this work, we combine tools from control theory and network science to address the diversified control paths in complex networks. Then the ways by which the disease genes perturb biological systems are identified and quantified by the control paths in a human regulatory network. Furthermore, as an application, prioritization of candidate genes is presented by use of control path analysis and gene ontology annotation for definition of similarities. We use leave-one-out cross-validation to evaluate the ability of finding the gene-disease relationship. Results have shown compatible performance with previous sophisticated works, especially in directed systems. Conclusions Our results inspire a deeper understanding of molecular mechanisms that drive pathological processes. Diversified control paths offer a basis for integrated intervention techniques which will ultimately lead to the development of novel therapeutic strategies. PMID:26284649

Analysis and Experimental Kinematics of a Skid-Steering Wheeled Robot Based on a Laser Scanner Sensor

PubMed Central

Wang, Tianmiao; Wu, Yao; Liang, Jianhong; Han, Chenhao; Chen, Jiao; Zhao, Qiteng

2015-01-01

Skid-steering mobile robots are widely used because of their simple mechanism and robustness. However, due to the complex wheel-ground interactions and the kinematic constraints, it is a challenge to understand the kinematics and dynamics of such a robotic platform. In this paper, we develop an analysis and experimental kinematic scheme for a skid-steering wheeled vehicle based-on a laser scanner sensor. The kinematics model is established based on the boundedness of the instantaneous centers of rotation (ICR) of treads on the 2D motion plane. The kinematic parameters (the ICR coefficient χ, the path curvature variable λ and robot speed v), including the effect of vehicle dynamics, are introduced to describe the kinematics model. Then, an exact but costly dynamic model is used and the simulation of this model’s stationary response for the vehicle shows a qualitative relationship for the specified parameters χ and λ. Moreover, the parameters of the kinematic model are determined based-on a laser scanner localization experimental analysis method with a skid-steering robotic platform, Pioneer P3-AT. The relationship between the ICR coefficient χ and two physical factors is studied, i.e., the radius of the path curvature λ and the robot speed v. An empirical function-based relationship between the ICR coefficient of the robot and the path parameters is derived. To validate the obtained results, it is empirically demonstrated that the proposed kinematics model significantly improves the dead-reckoning performance of this skid–steering robot. PMID:25919370

Comprehensive analysis of helicopters with bearingless rotors

NASA Technical Reports Server (NTRS)

Murthy, V. R.

1988-01-01

A modified Galerkin method is developed to analyze the dynamic problems of multiple-load-path bearingless rotor blades. The development and selection of functions are quite parallel to CAMRAD procedures, greatly facilitating the implementation of the method into the CAMRAD program. A software is developed implementing the modified Galerkin method to determine free vibration characteristics of multiple-load-path rotor blades undergoing coupled flapwise bending, chordwise bending, twisting, and extensional motions. Results are in the process of being obtained by debugging the software.

Motion of an Articulated Vehicle with Two-Dimensional Sections Subject to Lateral Obstacles

NASA Astrophysics Data System (ADS)

Antonyuk, E. Ya.; Zabuga, A. T.

2016-07-01

Some aspects of the geometry, kinematics, and dynamics of a three-section robotic vehicle with a front steerable wheel are studied. The constraints between the wheels and the flat ground are assumed nonholonomic. The vehicle moves in a narrow L-shaped corridor. A path for the characteristic points of the sections of the robot is designed. A dynamic model of the system is developed. The maximum possible dimensions of the robot that allow its unimpeded and non-stop motion are determined. The kinetostatic analysis of the load on a three-section vehicle moving along a planned path is modeled. The holonomic and nonholonomic constraint reactions between the wheels and the ground and in the joints between the sections are determined

Analysis and design of a capsule landing system and surface vehicle control system for Mars exploration

NASA Technical Reports Server (NTRS)

1974-01-01

A number of problems related to the design, construction and evaluation of an autonomous roving planetary vehicle and its control and operating systems intended for an unmanned exploration of Mars are studied. Vehicle configuration, dynamics, control, systems and propulsion; systems analysis; terrain sensing and modeling and path selection; and chemical analysis of samples are included.

Development of Advanced Methods of Structural and Trajectory Analysis for Transport Aircraft

NASA Technical Reports Server (NTRS)

Ardema, Mark D.; Windhorst, Robert; Phillips, James

1998-01-01

This paper develops a near-optimal guidance law for generating minimum fuel, time, or cost fixed-range trajectories for supersonic transport aircraft. The approach uses a choice of new state variables along with singular perturbation techniques to time-scale decouple the dynamic equations into multiple equations of single order (second order for the fast dynamics). Application of the maximum principle to each of the decoupled equations, as opposed to application to the original coupled equations, avoids the two point boundary value problem and transforms the problem from one of a functional optimization to one of multiple function optimizations. It is shown that such an approach produces well known aircraft performance results such as minimizing the Brequet factor for minimum fuel consumption and the energy climb path. Furthermore, the new state variables produce a consistent calculation of flight path angle along the trajectory, eliminating one of the deficiencies in the traditional energy state approximation. In addition, jumps in the energy climb path are smoothed out by integration of the original dynamic equations at constant load factor. Numerical results performed for a supersonic transport design show that a pushover dive followed by a pullout at nominal load factors are sufficient maneuvers to smooth the jump.

Military Space Mission Design and Analysis in a Multi-Body Environment: An Investigation of High-Altitude Orbits as Alternative Transfer Paths, Parking Orbits for Reconstitution, and Unconventional Mission Orbits

DTIC Science & Technology

2017-03-23

Dynamical Astronomy , vol. 90, no. January 2004, pp. 165–178, 2004. [Online]. Available: https://www.researchgate.net/publication/ 225231299 On The...Celestial Mechanics and Dynamical Astronomy , vol. 32, no. 1, pp. 53–71, 1984. [Online]. Available: https://engineering.purdue.edu/people/kathleen.howell

Efficient collective influence maximization in cascading processes with first-order transitions

PubMed Central

Pei, Sen; Teng, Xian; Shaman, Jeffrey; Morone, Flaviano; Makse, Hernán A.

2017-01-01

In many social and biological networks, the collective dynamics of the entire system can be shaped by a small set of influential units through a global cascading process, manifested by an abrupt first-order transition in dynamical behaviors. Despite its importance in applications, efficient identification of multiple influential spreaders in cascading processes still remains a challenging task for large-scale networks. Here we address this issue by exploring the collective influence in general threshold models of cascading process. Our analysis reveals that the importance of spreaders is fixed by the subcritical paths along which cascades propagate: the number of subcritical paths attached to each spreader determines its contribution to global cascades. The concept of subcritical path allows us to introduce a scalable algorithm for massively large-scale networks. Results in both synthetic random graphs and real networks show that the proposed method can achieve larger collective influence given the same number of seeds compared with other scalable heuristic approaches. PMID:28349988

Quantum structural fluctuation in para-hydrogen clusters revealed by the variational path integral method

NASA Astrophysics Data System (ADS)

Miura, Shinichi

2018-03-01

In this paper, the ground state of para-hydrogen clusters for size regime N ≤ 40 has been studied by our variational path integral molecular dynamics method. Long molecular dynamics calculations have been performed to accurately evaluate ground state properties. The chemical potential of the hydrogen molecule is found to have a zigzag size dependence, indicating the magic number stability for the clusters of the size N = 13, 26, 29, 34, and 39. One-body density of the hydrogen molecule is demonstrated to have a structured profile, not a melted one. The observed magic number stability is examined using the inherent structure analysis. We also have developed a novel method combining our variational path integral hybrid Monte Carlo method with the replica exchange technique. We introduce replicas of the original system bridging from the structured to the melted cluster, which is realized by scaling the potential energy of the system. Using the enhanced sampling method, the clusters are demonstrated to have the structured density profile in the ground state.

Quantum structural fluctuation in para-hydrogen clusters revealed by the variational path integral method.

PubMed

Miura, Shinichi

2018-03-14

In this paper, the ground state of para-hydrogen clusters for size regime N ≤ 40 has been studied by our variational path integral molecular dynamics method. Long molecular dynamics calculations have been performed to accurately evaluate ground state properties. The chemical potential of the hydrogen molecule is found to have a zigzag size dependence, indicating the magic number stability for the clusters of the size N = 13, 26, 29, 34, and 39. One-body density of the hydrogen molecule is demonstrated to have a structured profile, not a melted one. The observed magic number stability is examined using the inherent structure analysis. We also have developed a novel method combining our variational path integral hybrid Monte Carlo method with the replica exchange technique. We introduce replicas of the original system bridging from the structured to the melted cluster, which is realized by scaling the potential energy of the system. Using the enhanced sampling method, the clusters are demonstrated to have the structured density profile in the ground state.

Efficient collective influence maximization in cascading processes with first-order transitions

NASA Astrophysics Data System (ADS)

Pei, Sen; Teng, Xian; Shaman, Jeffrey; Morone, Flaviano; Makse, Hernán A.

2017-03-01

In many social and biological networks, the collective dynamics of the entire system can be shaped by a small set of influential units through a global cascading process, manifested by an abrupt first-order transition in dynamical behaviors. Despite its importance in applications, efficient identification of multiple influential spreaders in cascading processes still remains a challenging task for large-scale networks. Here we address this issue by exploring the collective influence in general threshold models of cascading process. Our analysis reveals that the importance of spreaders is fixed by the subcritical paths along which cascades propagate: the number of subcritical paths attached to each spreader determines its contribution to global cascades. The concept of subcritical path allows us to introduce a scalable algorithm for massively large-scale networks. Results in both synthetic random graphs and real networks show that the proposed method can achieve larger collective influence given the same number of seeds compared with other scalable heuristic approaches.

What's in a crowd? Analysis of face-to-face behavioral networks.

PubMed

Isella, Lorenzo; Stehlé, Juliette; Barrat, Alain; Cattuto, Ciro; Pinton, Jean-François; Van den Broeck, Wouter

2011-02-21

The availability of new data sources on human mobility is opening new avenues for investigating the interplay of social networks, human mobility and dynamical processes such as epidemic spreading. Here we analyze data on the time-resolved face-to-face proximity of individuals in large-scale real-world scenarios. We compare two settings with very different properties, a scientific conference and a long-running museum exhibition. We track the behavioral networks of face-to-face proximity, and characterize them from both a static and a dynamic point of view, exposing differences and similarities. We use our data to investigate the dynamics of a susceptible-infected model for epidemic spreading that unfolds on the dynamical networks of human proximity. The spreading patterns are markedly different for the conference and the museum case, and they are strongly impacted by the causal structure of the network data. A deeper study of the spreading paths shows that the mere knowledge of static aggregated networks would lead to erroneous conclusions about the transmission paths on the dynamical networks. Copyright © 2010 Elsevier Ltd. All rights reserved.

Development of FB-MultiPier dynamic vessel-collision analysis models, phase 2.

DOT National Transportation Integrated Search

2014-07-01

Massive waterway vessels such as barges regularly transit navigable waterways in the U.S. During passages that fall within : the vicinity of bridge structures, vessels may (under extreme circumstances) deviate from the intended vessel transit path. A...

Influences of system uncertainties on the numerical transfer path analysis of engine systems

NASA Astrophysics Data System (ADS)

Acri, A.; Nijman, E.; Acri, A.; Offner, G.

2017-10-01

Practical mechanical systems operate with some degree of uncertainty. In numerical models uncertainties can result from poorly known or variable parameters, from geometrical approximation, from discretization or numerical errors, from uncertain inputs or from rapidly changing forcing that can be best described in a stochastic framework. Recently, random matrix theory was introduced to take parameter uncertainties into account in numerical modeling problems. In particular in this paper, Wishart random matrix theory is applied on a multi-body dynamic system to generate random variations of the properties of system components. Multi-body dynamics is a powerful numerical tool largely implemented during the design of new engines. In this paper the influence of model parameter variability on the results obtained from the multi-body simulation of engine dynamics is investigated. The aim is to define a methodology to properly assess and rank system sources when dealing with uncertainties. Particular attention is paid to the influence of these uncertainties on the analysis and the assessment of the different engine vibration sources. Examples of the effects of different levels of uncertainties are illustrated by means of examples using a representative numerical powertrain model. A numerical transfer path analysis, based on system dynamic substructuring, is used to derive and assess the internal engine vibration sources. The results obtained from this analysis are used to derive correlations between parameter uncertainties and statistical distribution of results. The derived statistical information can be used to advance the knowledge of the multi-body analysis and the assessment of system sources when uncertainties in model parameters are considered.

Extended shortest path selection for package routing of complex networks

NASA Astrophysics Data System (ADS)

Ye, Fan; Zhang, Lei; Wang, Bing-Hong; Liu, Lu; Zhang, Xing-Yi

The routing strategy plays a very important role in complex networks such as Internet system and Peer-to-Peer networks. However, most of the previous work concentrates only on the path selection, e.g. Flooding and Random Walk, or finding the shortest path (SP) and rarely considering the local load information such as SP and Distance Vector Routing. Flow-based Routing mainly considers load balance and still cannot achieve best optimization. Thus, in this paper, we propose a novel dynamic routing strategy on complex network by incorporating the local load information into SP algorithm to enhance the traffic flow routing optimization. It was found that the flow in a network is greatly affected by the waiting time of the network, so we should not consider only choosing optimized path for package transformation but also consider node congestion. As a result, the packages should be transmitted with a global optimized path with smaller congestion and relatively short distance. Analysis work and simulation experiments show that the proposed algorithm can largely enhance the network flow with the maximum throughput within an acceptable calculating time. The detailed analysis of the algorithm will also be provided for explaining the efficiency.

Moisture Risk in Unvented Attics Due to Air Leakage Paths

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

Prahl, D.; Shaffer, M.

2014-11-01

IBACOS completed an initial analysis of moisture damage potential in an unvented attic insulated with closed-cell spray polyurethane foam. To complete this analysis, the research team collected field data, used computational fluid dynamics to quantify the airflow rates through individual airflow (crack) paths, simulated hourly flow rates through the leakage paths with CONTAM software, correlated the CONTAM flow rates with indoor humidity ratios from Building Energy Optimization software, and used Wärme und Feuchte instationär Pro two-dimensional modeling to determine the moisture content of the building materials surrounding the cracks. Given the number of simplifying assumptions and numerical models associated withmore » this analysis, the results indicate that localized damage due to high moisture content of the roof sheathing is possible under very low airflow rates. Reducing the number of assumptions and approximations through field studies and laboratory experiments would be valuable to understand the real-world moisture damage potential in unvented attics.« less

Moisture Risk in Unvented Attics Due to Air Leakage Paths

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

Prahl, D.; Shaffer, M.

2014-11-01

IBACOS completed an initial analysis of moisture damage potential in an unvented attic insulated with closed-cell spray polyurethane foam. To complete this analysis, the research team collected field data, used computational fluid dynamics to quantify the airflow rates through individual airflow (crack) paths, simulated hourly flow rates through the leakage paths with CONTAM software, correlated the CONTAM flow rates with indoor humidity ratios from Building Energy Optimization software, and used Warme und Feuchte instationar Pro two-dimensional modeling to determine the moisture content of the building materials surrounding the cracks. Given the number of simplifying assumptions and numerical models associated withmore » this analysis, the results indicate that localized damage due to high moisture content of the roof sheathing is possible under very low airflow rates. Reducing the number of assumptions and approximations through field studies and laboratory experiments would be valuable to understand the real-world moisture damage potential in unvented attics.« less

MEPSA: minimum energy pathway analysis for energy landscapes.

PubMed

Marcos-Alcalde, Iñigo; Setoain, Javier; Mendieta-Moreno, Jesús I; Mendieta, Jesús; Gómez-Puertas, Paulino

2015-12-01

From conformational studies to atomistic descriptions of enzymatic reactions, potential and free energy landscapes can be used to describe biomolecular systems in detail. However, extracting the relevant data of complex 3D energy surfaces can sometimes be laborious. In this article, we present MEPSA (Minimum Energy Path Surface Analysis), a cross-platform user friendly tool for the analysis of energy landscapes from a transition state theory perspective. Some of its most relevant features are: identification of all the barriers and minima of the landscape at once, description of maxima edge profiles, detection of the lowest energy path connecting two minima and generation of transition state theory diagrams along these paths. In addition to a built-in plotting system, MEPSA can save most of the generated data into easily parseable text files, allowing more versatile uses of MEPSA's output such as the generation of molecular dynamics restraints from a calculated path. MEPSA is freely available (under GPLv3 license) at: http://bioweb.cbm.uam.es/software/MEPSA/ CONTACT: pagomez@cbm.csic.es. Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Uncertainty in the modelling of spatial and temporal patterns of shallow groundwater flow paths: The role of geological and hydrological site information

NASA Astrophysics Data System (ADS)

Woodward, Simon J. R.; Wöhling, Thomas; Stenger, Roland

2016-03-01

Understanding the hydrological and hydrogeochemical responses of hillslopes and other small scale groundwater systems requires mapping the velocity and direction of groundwater flow relative to the controlling subsurface material features. Since point observations of subsurface materials and groundwater head are often the basis for modelling these complex, dynamic, three-dimensional systems, considerable uncertainties are inevitable, but are rarely assessed. This study explored whether piezometric head data measured at high spatial and temporal resolution over six years at a hillslope research site provided sufficient information to determine the flow paths that transfer nitrate leached from the soil zone through the shallow saturated zone into a nearby wetland and stream. Transient groundwater flow paths were modelled using MODFLOW and MODPATH, with spatial patterns of hydraulic conductivity in the three material layers at the site being estimated by regularised pilot point calibration using PEST, constrained by slug test estimates of saturated hydraulic conductivity at several locations. Subsequent Null Space Monte Carlo uncertainty analysis showed that this data was not sufficient to definitively determine the spatial pattern of hydraulic conductivity at the site, although modelled water table dynamics matched the measured heads with acceptable accuracy in space and time. Particle tracking analysis predicted that the saturated flow direction was similar throughout the year as the water table rose and fell, but was not aligned with either the ground surface or subsurface material contours; indeed the subsurface material layers, having relatively similar hydraulic properties, appeared to have little effect on saturated water flow at the site. Flow path uncertainty analysis showed that, while accurate flow path direction or velocity could not be determined on the basis of the available head and slug test data alone, the origin of well water samples relative to the material layers and site contour could still be broadly deduced. This study highlights both the challenge of collecting suitably informative field data with which to characterise subsurface hydrology, and the power of modern calibration and uncertainty modelling techniques to assess flow path uncertainty in hillslopes and other small scale systems.

Dynamic path planning for autonomous driving on various roads with avoidance of static and moving obstacles

NASA Astrophysics Data System (ADS)

Hu, Xuemin; Chen, Long; Tang, Bo; Cao, Dongpu; He, Haibo

2018-02-01

This paper presents a real-time dynamic path planning method for autonomous driving that avoids both static and moving obstacles. The proposed path planning method determines not only an optimal path, but also the appropriate acceleration and speed for a vehicle. In this method, we first construct a center line from a set of predefined waypoints, which are usually obtained from a lane-level map. A series of path candidates are generated by the arc length and offset to the center line in the s - ρ coordinate system. Then, all of these candidates are converted into Cartesian coordinates. The optimal path is selected considering the total cost of static safety, comfortability, and dynamic safety; meanwhile, the appropriate acceleration and speed for the optimal path are also identified. Various types of roads, including single-lane roads and multi-lane roads with static and moving obstacles, are designed to test the proposed method. The simulation results demonstrate the effectiveness of the proposed method, and indicate its wide practical application to autonomous driving.

An Experiment of GMPLS-Based Dispersion Compensation Control over In-Field Fibers

NASA Astrophysics Data System (ADS)

Seno, Shoichiro; Horiuchi, Eiichi; Yoshida, Sota; Sugihara, Takashi; Onohara, Kiyoshi; Kamei, Misato; Baba, Yoshimasa; Kubo, Kazuo; Mizuochi, Takashi

As ROADMs (Reconfigurable Optical Add/Drop Multiplexers) are becoming widely used in metro/core networks, distributed control of wavelength paths by extended GMPLS (Generalized MultiProtocol Label Switching) protocols has attracted much attention. For the automatic establishment of an arbitrary wavelength path satisfying dynamic traffic demands over a ROADM or WXC (Wavelength Cross Connect)-based network, precise determination of chromatic dispersion over the path and optimized assignment of dispersion compensation capabilities at related nodes are essential. This paper reports an experiment over in-field fibers where GMPLS-based control was applied for the automatic discovery of chromatic dispersion, path computation, and wavelength path establishment with dynamic adjustment of variable dispersion compensation. The GMPLS-based control scheme, which the authors called GMPLS-Plus, extended GMPLS's distributed control architecture with attributes for automatic discovery, advertisement, and signaling of chromatic dispersion. In this experiment, wavelength paths with distances of 24km and 360km were successfully established and error-free data transmission was verified. The experiment also confirmed path restoration with dynamic compensation adjustment upon fiber failure.

The application of Markov decision process in restaurant delivery robot

NASA Astrophysics Data System (ADS)

Wang, Yong; Hu, Zhen; Wang, Ying

2017-05-01

As the restaurant delivery robot is often in a dynamic and complex environment, including the chairs inadvertently moved to the channel and customers coming and going. The traditional path planning algorithm is not very ideal. To solve this problem, this paper proposes the Markov dynamic state immediate reward (MDR) path planning algorithm according to the traditional Markov decision process. First of all, it uses MDR to plan a global path, then navigates along this path. When the sensor detects there is no obstructions in front state, increase its immediate state reward value; when the sensor detects there is an obstacle in front, plan a global path that can avoid obstacle with the current position as the new starting point and reduce its state immediate reward value. This continues until the target is reached. When the robot learns for a period of time, it can avoid those places where obstacles are often present when planning the path. By analyzing the simulation experiment, the algorithm has achieved good results in the global path planning under the dynamic environment.

An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions.

PubMed

Cendagorta, Joseph R; Bačić, Zlatko; Tuckerman, Mark E

2018-03-14

We introduce a scheme for approximating quantum time correlation functions numerically within the Feynman path integral formulation. Starting with the symmetrized version of the correlation function expressed as a discretized path integral, we introduce a change of integration variables often used in the derivation of trajectory-based semiclassical methods. In particular, we transform to sum and difference variables between forward and backward complex-time propagation paths. Once the transformation is performed, the potential energy is expanded in powers of the difference variables, which allows us to perform the integrals over these variables analytically. The manner in which this procedure is carried out results in an open-chain path integral (in the remaining sum variables) with a modified potential that is evaluated using imaginary-time path-integral sampling rather than requiring the generation of a large ensemble of trajectories. Consequently, any number of path integral sampling schemes can be employed to compute the remaining path integral, including Monte Carlo, path-integral molecular dynamics, or enhanced path-integral molecular dynamics. We believe that this approach constitutes a different perspective in semiclassical-type approximations to quantum time correlation functions. Importantly, we argue that our approximation can be systematically improved within a cumulant expansion formalism. We test this approximation on a set of one-dimensional problems that are commonly used to benchmark approximate quantum dynamical schemes. We show that the method is at least as accurate as the popular ring-polymer molecular dynamics technique and linearized semiclassical initial value representation for correlation functions of linear operators in most of these examples and improves the accuracy of correlation functions of nonlinear operators.

An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions

NASA Astrophysics Data System (ADS)

Cendagorta, Joseph R.; Bačić, Zlatko; Tuckerman, Mark E.

2018-03-01

We introduce a scheme for approximating quantum time correlation functions numerically within the Feynman path integral formulation. Starting with the symmetrized version of the correlation function expressed as a discretized path integral, we introduce a change of integration variables often used in the derivation of trajectory-based semiclassical methods. In particular, we transform to sum and difference variables between forward and backward complex-time propagation paths. Once the transformation is performed, the potential energy is expanded in powers of the difference variables, which allows us to perform the integrals over these variables analytically. The manner in which this procedure is carried out results in an open-chain path integral (in the remaining sum variables) with a modified potential that is evaluated using imaginary-time path-integral sampling rather than requiring the generation of a large ensemble of trajectories. Consequently, any number of path integral sampling schemes can be employed to compute the remaining path integral, including Monte Carlo, path-integral molecular dynamics, or enhanced path-integral molecular dynamics. We believe that this approach constitutes a different perspective in semiclassical-type approximations to quantum time correlation functions. Importantly, we argue that our approximation can be systematically improved within a cumulant expansion formalism. We test this approximation on a set of one-dimensional problems that are commonly used to benchmark approximate quantum dynamical schemes. We show that the method is at least as accurate as the popular ring-polymer molecular dynamics technique and linearized semiclassical initial value representation for correlation functions of linear operators in most of these examples and improves the accuracy of correlation functions of nonlinear operators.

Stage-by-Stage and Parallel Flow Path Compressor Modeling for a Variable Cycle Engine

NASA Technical Reports Server (NTRS)

Kopasakis, George; Connolly, Joseph W.; Cheng, Larry

2015-01-01

This paper covers the development of stage-by-stage and parallel flow path compressor modeling approaches for a Variable Cycle Engine. The stage-by-stage compressor modeling approach is an extension of a technique for lumped volume dynamics and performance characteristic modeling. It was developed to improve the accuracy of axial compressor dynamics over lumped volume dynamics modeling. The stage-by-stage compressor model presented here is formulated into a parallel flow path model that includes both axial and rotational dynamics. This is done to enable the study of compressor and propulsion system dynamic performance under flow distortion conditions. The approaches utilized here are generic and should be applicable for the modeling of any axial flow compressor design.

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.

Investigation of in-body path loss in different human subjects for localization of capsule endoscope.

PubMed

Ara, Perzila; Cheng, Shaokoon; Heimlich, Michael; Dutkiewicz, Eryk

2015-01-01

Recent developments in capsule endoscopy have highlighted the need for accurate techniques to estimate the location of a capsule endoscope. A highly accurate location estimation of a capsule endoscope in the gastrointestinal (GI) tract in the range of several millimeters is a challenging task. This is mainly because the radio-frequency signals encounter high loss and a highly dynamic channel propagation environment. Therefore, an accurate path-loss model is required for the development of accurate localization algorithms. This paper presents an in-body path-loss model for the human abdomen region at 2.4 GHz frequency. To develop the path-loss model, electromagnetic simulations using the Finite-Difference Time-Domain (FDTD) method were carried out on two different anatomical human models. A mathematical expression for the path-loss model was proposed based on analysis of the measured loss at different capsule locations inside the small intestine. The proposed path-loss model is a good approximation to model in-body RF propagation, since the real measurements are quite infeasible for the capsule endoscopy subject.

Morse-Smale Analysis of Ion Diffusion in Ab Initio Battery Materials Simulations

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

Gyulassy, Attila; Knoll, Aaron; Lau, Kah Chun

Ab initio molecular dynamics (AIMD) simulations are increasingly useful in modeling, optimizing and synthesizing materials in energy sciences. In solving Schrödinger’s equation, they generate the electronic structure of the simulated atoms as a scalar field. However, methods for analyzing these volume data are not yet common in molecular visualization. The Morse-Smale complex is a proven, versatile tool for topological analysis of scalar fields. In this paper, we apply the discrete Morse-Smale complex to analysis of first-principles battery materials simulations. We consider a carbon nanosphere structure used in battery materials research, and employ Morse-Smale decomposition to determine the possible lithium ionmore » diffusion paths within that structure. Our approach is novel in that it uses the wavefunction itself as opposed distance fields, and that we analyze the 1-skeleton of the Morse-Smale complex to reconstruct our diffusion paths. Furthermore, it is the first application where specific motifs in the graph structure of the complete 1-skeleton define features, namely carbon rings with specific valence. We compare our analysis of DFT data with that of a distance field approximation, and discuss implications on larger classical molecular dynamics simulations.« less

Continuity equation for probability as a requirement of inference over paths

NASA Astrophysics Data System (ADS)

González, Diego; Díaz, Daniela; Davis, Sergio

2016-09-01

Local conservation of probability, expressed as the continuity equation, is a central feature of non-equilibrium Statistical Mechanics. In the existing literature, the continuity equation is always motivated by heuristic arguments with no derivation from first principles. In this work we show that the continuity equation is a logical consequence of the laws of probability and the application of the formalism of inference over paths for dynamical systems. That is, the simple postulate that a system moves continuously through time following paths implies the continuity equation. The translation between the language of dynamical paths to the usual representation in terms of probability densities of states is performed by means of an identity derived from Bayes' theorem. The formalism presented here is valid independently of the nature of the system studied: it is applicable to physical systems and also to more abstract dynamics such as financial indicators, population dynamics in ecology among others.

Dynamic wavefront creation for processing units using a hybrid compactor

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

Puthoor, Sooraj; Beckmann, Bradford M.; Yudanov, Dmitri

A method, a non-transitory computer readable medium, and a processor for repacking dynamic wavefronts during program code execution on a processing unit, each dynamic wavefront including multiple threads are presented. If a branch instruction is detected, a determination is made whether all wavefronts following a same control path in the program code have reached a compaction point, which is the branch instruction. If no branch instruction is detected in executing the program code, a determination is made whether all wavefronts following the same control path have reached a reconvergence point, which is a beginning of a program code segment tomore » be executed by both a taken branch and a not taken branch from a previous branch instruction. The dynamic wavefronts are repacked with all threads that follow the same control path, if all wavefronts following the same control path have reached the branch instruction or the reconvergence point.« less

Sensory feedback in a bump attractor model of path integration.

PubMed

Poll, Daniel B; Nguyen, Khanh; Kilpatrick, Zachary P

2016-04-01

Mammalian spatial navigation systems utilize several different sensory information channels. This information is converted into a neural code that represents the animal's current position in space by engaging place cell, grid cell, and head direction cell networks. In particular, sensory landmark (allothetic) cues can be utilized in concert with an animal's knowledge of its own velocity (idiothetic) cues to generate a more accurate representation of position than path integration provides on its own (Battaglia et al. The Journal of Neuroscience 24(19):4541-4550 (2004)). We develop a computational model that merges path integration with feedback from external sensory cues that provide a reliable representation of spatial position along an annular track. Starting with a continuous bump attractor model, we explore the impact of synaptic spatial asymmetry and heterogeneity, which disrupt the position code of the path integration process. We use asymptotic analysis to reduce the bump attractor model to a single scalar equation whose potential represents the impact of asymmetry and heterogeneity. Such imperfections cause errors to build up when the network performs path integration, but these errors can be corrected by an external control signal representing the effects of sensory cues. We demonstrate that there is an optimal strength and decay rate of the control signal when cues appear either periodically or randomly. A similar analysis is performed when errors in path integration arise from dynamic noise fluctuations. Again, there is an optimal strength and decay of discrete control that minimizes the path integration error.

Numerical simulation of the geodynamo reaches Earth's core dynamical regime

NASA Astrophysics Data System (ADS)

Aubert, J.; Gastine, T.; Fournier, A.

2016-12-01

Numerical simulations of the geodynamo have been successful at reproducing a number of static (field morphology) and kinematic (secular variation patterns, core surface flows and westward drift) features of Earth's magnetic field, making them a tool of choice for the analysis and retrieval of geophysical information on Earth's core. However, classical numerical models have been run in a parameter regime far from that of the real system, prompting the question of whether we do get "the right answers for the wrong reasons", i.e. whether the agreement between models and nature simply occurs by chance and without physical relevance in the dynamics. In this presentation, we show that classical models succeed in describing the geodynamo because their large-scale spatial structure is essentially invariant as one progresses along a well-chosen path in parameter space to Earth's core conditions. This path is constrained by the need to enforce the relevant force balance (MAC or Magneto-Archimedes-Coriolis) and preserve the ratio of the convective overturn and magnetic diffusion times. Numerical simulations performed along this path are shown to be spatially invariant at scales larger than that where the magnetic energy is ohmically dissipated. This property enables the definition of large-eddy simulations that show good agreement with direct numerical simulations in the range where both are feasible, and that can be computed at unprecedented values of the control parameters, such as an Ekman number E=10-8. Combining direct and large-eddy simulations, large-scale invariance is observed over half the logarithmic distance in parameter space between classical models and Earth. The conditions reached at this mid-point of the path are furthermore shown to be representative of the rapidly-rotating, asymptotic dynamical regime in which Earth's core resides, with a MAC force balance undisturbed by viscosity or inertia, the enforcement of a Taylor state and strong-field dynamo action. We conclude that numerical modelling has advanced to a stage where it is possible to use models correctly representing the statics, kinematics and now the dynamics of the geodynamo. This opens the way to a better analysis of the geomagnetic field in the time and space domains.

From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics

NASA Astrophysics Data System (ADS)

Kreis, Karsten; Kremer, Kurt; Potestio, Raffaello; Tuckerman, Mark E.

2017-12-01

Path integral-based methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical simulations. To reduce this numerical effort, we recently proposed a method, based on a rigorous Hamiltonian formulation, which restricts the quantum modeling to a small but relevant spatial region within a larger reservoir where particles are treated classically. In this work, we extend this idea and show how it can be implemented along with state-of-the-art path integral simulation techniques, including path-integral molecular dynamics, which allows for the calculation of quantum statistical properties, and ring-polymer and centroid molecular dynamics, which allow the calculation of approximate quantum dynamical properties. To this end, we derive a new integration algorithm that also makes use of multiple time-stepping. The scheme is validated via adaptive classical-path-integral simulations of liquid water. Potential applications of the proposed multiresolution method are diverse and include efficient quantum simulations of interfaces as well as complex biomolecular systems such as membranes and proteins.

Path planning for persistent surveillance applications using fixed-wing unmanned aerial vehicles

NASA Astrophysics Data System (ADS)

Keller, James F.

This thesis addresses coordinated path planning for fixed-wing Unmanned Aerial Vehicles (UAVs) engaged in persistent surveillance missions. While uniquely suited to this mission, fixed wing vehicles have maneuver constraints that can limit their performance in this role. Current technology vehicles are capable of long duration flight with a minimal acoustic footprint while carrying an array of cameras and sensors. Both military tactical and civilian safety applications can benefit from this technology. We make three main contributions: C1 A sequential path planner that generates a C 2 flight plan to persistently acquire a covering set of data over a user designated area of interest. The planner features the following innovations: • A path length abstraction that embeds kino-dynamic motion constraints to estimate feasible path length. • A Traveling Salesman-type planner to generate a covering set route based on the path length abstraction. • A smooth path generator that provides C 2 routes that satisfy user specified curvature constraints. C2 A set of algorithms to coordinate multiple UAVs, including mission commencement from arbitrary locations to the start of a coordinated mission and de-confliction of paths to avoid collisions with other vehicles and fixed obstacles. C3 A numerically robust toolbox of spline-based algorithms tailored for vehicle routing validated through flight test experiments on multiple platforms. A variety of tests and platforms are discussed. The algorithms presented are based on a technical approach with approximately equal emphasis on analysis, computation, dynamic simulation, and flight test experimentation. Our planner (C1) directly takes into account vehicle maneuverability and agility constraints that could otherwise render simple solutions infeasible. This is especially important when surveillance objectives elevate the importance of optimized paths. Researchers have developed a diverse range of solutions for persistent surveillance applications but few directly address dynamic maneuver constraints. The key feature of C1 is a two stage sequential solution that discretizes the problem so that graph search techniques can be combined with parametric polynomial curve generation. A method to abstract the kino-dynamics of the aerial platforms is then presented so that a graph search solution can be adapted for this application. An A* Traveling Salesman Problem (TSP) algorithm is developed to search the discretized space using the abstract distance metric to acquire more data or avoid obstacles. Results of the graph search are then transcribed into smooth paths based on vehicle maneuver constraints. A complete solution for a single vehicle periodic tour of the area is developed using the results of the graph search algorithm. To execute the mission, we present a simultaneous arrival algorithm (C2) to coordinate execution by multiple vehicles to satisfy data refresh requirements and to ensure there are no collisions at any of the path intersections. We present a toolbox of spline-based algorithms (C3) to streamline the development of C2 continuous paths with numerical stability. These tools are applied to an aerial persistent surveillance application to illustrate their utility. Comparisons with other parametric polynomial approaches are highlighted to underscore the benefits of the B-spline framework. Performance limits with respect to feasibility constraints are documented.

Fluctuations and symmetry energy in nuclear fragmentation dynamics.

PubMed

Colonna, M

2013-01-25

Within a dynamical description of nuclear fragmentation, based on the liquid-gas phase transition scenario, we explore the relation between neutron-proton density fluctuations and nuclear symmetry energy. We show that, along the fragmentation path, isovector fluctuations follow the evolution of the local density and approach an equilibrium value connected to the local symmetry energy. Higher-density regions are characterized by smaller average asymmetry and narrower isotopic distributions. This dynamical analysis points out that fragment final state isospin fluctuations can probe the symmetry energy of the density domains from which fragments originate.

Stochastic ground motion simulation

USGS Publications Warehouse

Rezaeian, Sanaz; Xiaodan, Sun; Beer, Michael; Kougioumtzoglou, Ioannis A.; Patelli, Edoardo; Siu-Kui Au, Ivan

2014-01-01

Strong earthquake ground motion records are fundamental in engineering applications. Ground motion time series are used in response-history dynamic analysis of structural or geotechnical systems. In such analysis, the validity of predicted responses depends on the validity of the input excitations. Ground motion records are also used to develop ground motion prediction equations(GMPEs) for intensity measures such as spectral accelerations that are used in response-spectrum dynamic analysis. Despite the thousands of available strong ground motion records, there remains a shortage of records for large-magnitude earthquakes at short distances or in specific regions, as well as records that sample specific combinations of source, path, and site characteristics.

Analysis multi-agent with precense of the leader

NASA Astrophysics Data System (ADS)

Achmadi, Sentot; Marjono, Miswanto

2017-12-01

The phenomenon of swarm is a natural phenomenon that is often done by a collection of living things in the form of motion from one place to another. By clustering, a group of animals can increase their effectiveness in food search and avoid predators. A group of geese also performs a swarm phenomenon when flying and forms an inverted V-formation with one of the geese acting as a leader. Each flying track of members of the geese group always follows the leader's path at a certain distance. This article discusses the mathematical modeling of the swarm phenomenon, which is the optimal tracking control for multi-agent model with the influence of the leader in the 2-dimensional space. The leader in this model is intended to track the specified path. Firstly, the leader's motion control is to follow the predetermined path using the Tracking Error Dynamic method. Then, the path from the leader is used to design the motion control of each agent to track the leader's path at a certain distance. The result of numerical simulation shows that the leader trajectory can track the specified path. Similarly, the motion of each agent can trace and follow the leader's path.

Structure-guided Protein Transition Modeling with a Probabilistic Roadmap Algorithm.

PubMed

Maximova, Tatiana; Plaku, Erion; Shehu, Amarda

2016-07-07

Proteins are macromolecules in perpetual motion, switching between structural states to modulate their function. A detailed characterization of the precise yet complex relationship between protein structure, dynamics, and function requires elucidating transitions between functionally-relevant states. Doing so challenges both wet and dry laboratories, as protein dynamics involves disparate temporal scales. In this paper we present a novel, sampling-based algorithm to compute transition paths. The algorithm exploits two main ideas. First, it leverages known structures to initialize its search and define a reduced conformation space for rapid sampling. This is key to address the insufficient sampling issue suffered by sampling-based algorithms. Second, the algorithm embeds samples in a nearest-neighbor graph where transition paths can be efficiently computed via queries. The algorithm adapts the probabilistic roadmap framework that is popular in robot motion planning. In addition to efficiently computing lowest-cost paths between any given structures, the algorithm allows investigating hypotheses regarding the order of experimentally-known structures in a transition event. This novel contribution is likely to open up new venues of research. Detailed analysis is presented on multiple-basin proteins of relevance to human disease. Multiscaling and the AMBER ff14SB force field are used to obtain energetically-credible paths at atomistic detail.

Scaling analysis and instantons for thermally assisted tunneling and quantum Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Jiang, Zhang; Smelyanskiy, Vadim N.; Isakov, Sergei V.; Boixo, Sergio; Mazzola, Guglielmo; Troyer, Matthias; Neven, Hartmut

2017-01-01

We develop an instantonic calculus to derive an analytical expression for the thermally assisted tunneling decay rate of a metastable state in a fully connected quantum spin model. The tunneling decay problem can be mapped onto the Kramers escape problem of a classical random dynamical field. This dynamical field is simulated efficiently by path-integral quantum Monte Carlo (QMC). We show analytically that the exponential scaling with the number of spins of the thermally assisted quantum tunneling rate and the escape rate of the QMC process are identical. We relate this effect to the existence of a dominant instantonic tunneling path. The instanton trajectory is described by nonlinear dynamical mean-field theory equations for a single-site magnetization vector, which we solve exactly. Finally, we derive scaling relations for the "spiky" barrier shape when the spin tunneling and QMC rates scale polynomially with the number of spins N while a purely classical over-the-barrier activation rate scales exponentially with N .

Spreading paths in partially observed social networks

NASA Astrophysics Data System (ADS)

Onnela, Jukka-Pekka; Christakis, Nicholas A.

2012-03-01

Understanding how and how far information, behaviors, or pathogens spread in social networks is an important problem, having implications for both predicting the size of epidemics, as well as for planning effective interventions. There are, however, two main challenges for inferring spreading paths in real-world networks. One is the practical difficulty of observing a dynamic process on a network, and the other is the typical constraint of only partially observing a network. Using static, structurally realistic social networks as platforms for simulations, we juxtapose three distinct paths: (1) the stochastic path taken by a simulated spreading process from source to target; (2) the topologically shortest path in the fully observed network, and hence the single most likely stochastic path, between the two nodes; and (3) the topologically shortest path in a partially observed network. In a sampled network, how closely does the partially observed shortest path (3) emulate the unobserved spreading path (1)? Although partial observation inflates the length of the shortest path, the stochastic nature of the spreading process also frequently derails the dynamic path from the shortest path. We find that the partially observed shortest path does not necessarily give an inflated estimate of the length of the process path; in fact, partial observation may, counterintuitively, make the path seem shorter than it actually is.

Spreading paths in partially observed social networks.

PubMed

Onnela, Jukka-Pekka; Christakis, Nicholas A

2012-03-01

Understanding how and how far information, behaviors, or pathogens spread in social networks is an important problem, having implications for both predicting the size of epidemics, as well as for planning effective interventions. There are, however, two main challenges for inferring spreading paths in real-world networks. One is the practical difficulty of observing a dynamic process on a network, and the other is the typical constraint of only partially observing a network. Using static, structurally realistic social networks as platforms for simulations, we juxtapose three distinct paths: (1) the stochastic path taken by a simulated spreading process from source to target; (2) the topologically shortest path in the fully observed network, and hence the single most likely stochastic path, between the two nodes; and (3) the topologically shortest path in a partially observed network. In a sampled network, how closely does the partially observed shortest path (3) emulate the unobserved spreading path (1)? Although partial observation inflates the length of the shortest path, the stochastic nature of the spreading process also frequently derails the dynamic path from the shortest path. We find that the partially observed shortest path does not necessarily give an inflated estimate of the length of the process path; in fact, partial observation may, counterintuitively, make the path seem shorter than it actually is.

Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping

NASA Astrophysics Data System (ADS)

Lu, Jianfeng; Zhou, Zhennan

2018-02-01

To accelerate the thermal equilibrium sampling of multi-level quantum systems, the infinite swapping limit of a recently proposed multi-level ring polymer representation is investigated. In the infinite swapping limit, the ring polymer evolves according to an averaged Hamiltonian with respect to all possible surface index configurations of the ring polymer and thus connects the surface hopping approach to the mean-field path-integral molecular dynamics. A multiscale integrator for the infinite swapping limit is also proposed to enable efficient sampling based on the limiting dynamics. Numerical results demonstrate the huge improvement of sampling efficiency of the infinite swapping compared with the direct simulation of path-integral molecular dynamics with surface hopping.

Robot path planning algorithm based on symbolic tags in dynamic environment

NASA Astrophysics Data System (ADS)

Vokhmintsev, A.; Timchenko, M.; Melnikov, A.; Kozko, A.; Makovetskii, A.

2017-09-01

The present work will propose a new heuristic algorithms for path planning of a mobile robot in an unknown dynamic space that have theoretically approved estimates of computational complexity and are approbated for solving specific applied problems.

Rare event computation in deterministic chaotic systems using genealogical particle analysis

NASA Astrophysics Data System (ADS)

Wouters, J.; Bouchet, F.

2016-09-01

In this paper we address the use of rare event computation techniques to estimate small over-threshold probabilities of observables in deterministic dynamical systems. We demonstrate that genealogical particle analysis algorithms can be successfully applied to a toy model of atmospheric dynamics, the Lorenz ’96 model. We furthermore use the Ornstein-Uhlenbeck system to illustrate a number of implementation issues. We also show how a time-dependent objective function based on the fluctuation path to a high threshold can greatly improve the performance of the estimator compared to a fixed-in-time objective function.

Effects of diversity, topography, and interannual climate variability on pathogen spillover

Treesearch

Whalen W. Dillon; Ross K. Meentemeyer; David M. Rizzo

2017-01-01

Our knowledge of sudden oak death (SOD) disease dynamics indicate that without bay laurel (Umbellularia californica) there is seldom oak (Quercus) infection. This requirement of an alternate host species for disease transmission to oak species is an example of pathogen spillover. We developed a path analysis to test...

Temporal dynamics in dominant runoff sources and flow paths in the Andean Páramo

NASA Astrophysics Data System (ADS)

Correa, Alicia; Windhorst, David; Tetzlaff, Doerthe; Crespo, Patricio; Célleri, Rolando; Feyen, Jan; Breuer, Lutz

2017-07-01

The relative importance of catchment's water provenance and flow paths varies in space and time, complicating the conceptualization of the rainfall-runoff responses. We assessed the temporal dynamics in source areas, flow paths, and age by End Member Mixing Analysis (EMMA), hydrograph separation, and Inverse Transit Time Proxies (ITTPs) estimation within a headwater catchment in the Ecuadorian Andes. Twenty-two solutes, stable isotopes, pH, and electrical conductivity from a stream and 12 potential sources were analyzed. Four end-members were required to satisfactorily represent the hydrological system, i.e., rainfall, spring water, and water from the bottom layers of Histosols and Andosols. Water from Histosols in and near the riparian zone was the highest source contributor to runoff throughout the year (39% for the drier season, 45% for the wetter season), highlighting the importance of the water that is stored in the riparian zone. Spring water contributions to streamflow tripled during the drier season, as evidenced by geochemical signatures that are consistent with deeper flow paths rather than shallow interflow through Andosols. Rainfall exhibited low seasonal variation in this contribution. Hydrograph separation revealed that 94% and 84% is preevent water in the drier and wetter seasons, respectively. From low-flow to high-flow conditions, all the sources increased their contribution except spring water. The relative age of stream water decreased during wetter periods, when the contributing area of the riparian zone expands. The multimethod and multitracer approach enabled to closely study the interchanging importance of flow processes and water source dynamics from an interannual perspective.

A Foreign Object Damage Event Detector Data Fusion System for Turbofan Engines

NASA Technical Reports Server (NTRS)

Turso, James A.; Litt, Jonathan S.

2004-01-01

A Data Fusion System designed to provide a reliable assessment of the occurrence of Foreign Object Damage (FOD) in a turbofan engine is presented. The FOD-event feature level fusion scheme combines knowledge of shifts in engine gas path performance obtained using a Kalman filter, with bearing accelerometer signal features extracted via wavelet analysis, to positively identify a FOD event. A fuzzy inference system provides basic probability assignments (bpa) based on features extracted from the gas path analysis and bearing accelerometers to a fusion algorithm based on the Dempster-Shafer-Yager Theory of Evidence. Details are provided on the wavelet transforms used to extract the foreign object strike features from the noisy data and on the Kalman filter-based gas path analysis. The system is demonstrated using a turbofan engine combined-effects model (CEM), providing both gas path and rotor dynamic structural response, and is suitable for rapid-prototyping of control and diagnostic systems. The fusion of the disparate data can provide significantly more reliable detection of a FOD event than the use of either method alone. The use of fuzzy inference techniques combined with Dempster-Shafer-Yager Theory of Evidence provides a theoretical justification for drawing conclusions based on imprecise or incomplete data.

Further Validation of Simulated Dynamic Interface Testing Techniques as a Tool in the Forecasting of Air Vehicle Deck Limits

DTIC Science & Technology

2010-01-01

UAV Autonomy program which includes intelligent reasoning for autonomy, technologies to enhance see and avoid capabilities, object identification ...along the ship’s base recovery course (BRC). The pilot then flies toward the stern of the ship, aligning his approach path with the ship’s lineup line...quiescent point identification . CONCLUSIONS The primary goal for conducting dynamic interface analysis is to expand existing operating envelopes and

Neighboring extremals of dynamic optimization problems with path equality constraints

NASA Technical Reports Server (NTRS)

Lee, A. Y.

1988-01-01

Neighboring extremals of dynamic optimization problems with path equality constraints and with an unknown parameter vector are considered in this paper. With some simplifications, the problem is reduced to solving a linear, time-varying two-point boundary-value problem with integral path equality constraints. A modified backward sweep method is used to solve this problem. Two example problems are solved to illustrate the validity and usefulness of the solution technique.

Construction and analysis of gene-gene dynamics influence networks based on a Boolean model.

PubMed

Mazaya, Maulida; Trinh, Hung-Cuong; Kwon, Yung-Keun

2017-12-21

Identification of novel gene-gene relations is a crucial issue to understand system-level biological phenomena. To this end, many methods based on a correlation analysis of gene expressions or structural analysis of molecular interaction networks have been proposed. They have a limitation in identifying more complicated gene-gene dynamical relations, though. To overcome this limitation, we proposed a measure to quantify a gene-gene dynamical influence (GDI) using a Boolean network model and constructed a GDI network to indicate existence of a dynamical influence for every ordered pair of genes. It represents how much a state trajectory of a target gene is changed by a knockout mutation subject to a source gene in a gene-gene molecular interaction (GMI) network. Through a topological comparison between GDI and GMI networks, we observed that the former network is denser than the latter network, which implies that there exist many gene pairs of dynamically influencing but molecularly non-interacting relations. In addition, a larger number of hub genes were generated in the GDI network. On the other hand, there was a correlation between these networks such that the degree value of a node was positively correlated to each other. We further investigated the relationships of the GDI value with structural properties and found that there are negative and positive correlations with the length of a shortest path and the number of paths, respectively. In addition, a GDI network could predict a set of genes whose steady-state expression is affected in E. coli gene-knockout experiments. More interestingly, we found that the drug-targets with side-effects have a larger number of outgoing links than the other genes in the GDI network, which implies that they are more likely to influence the dynamics of other genes. Finally, we found biological evidences showing that the gene pairs which are not molecularly interacting but dynamically influential can be considered for novel gene-gene relationships. Taken together, construction and analysis of the GDI network can be a useful approach to identify novel gene-gene relationships in terms of the dynamical influence.

Theoretical analysis of the time-resolved binary (e, 2e) binding energy spectra on three-body photodissociation of acetone at 195 nm

NASA Astrophysics Data System (ADS)

Yamazaki, M.; Nakayama, S.; Zhu, C. Y.; Takahashi, M.

2017-11-01

We report on theoretical progress in time-resolved (e, 2e) electron momentum spectroscopy of photodissociation dynamics of the deuterated acetone molecule at 195 nm. We have examined the predicted minimum energy reaction path to investigate whether associated (e, 2e) calculations meet the experimental results. A noticeable difference between the experiment and calculations has been found at around binding energy of 10 eV, suggesting that the observed difference may originate, at least partly, in ever-unconsidered non-minimum energy paths.

An improved global dynamic routing strategy for scale-free network with tunable clustering

NASA Astrophysics Data System (ADS)

Sun, Lina; Huang, Ning; Zhang, Yue; Bai, Yannan

2016-08-01

An efficient routing strategy can deliver packets quickly to improve the network capacity. Node congestion and transmission path length are inevitable real-time factors for a good routing strategy. Existing dynamic global routing strategies only consider the congestion of neighbor nodes and the shortest path, which ignores other key nodes’ congestion on the path. With the development of detection methods and techniques, global traffic information is readily available and important for the routing choice. Reasonable use of this information can effectively improve the network routing. So, an improved global dynamic routing strategy is proposed, which considers the congestion of all nodes on the shortest path and incorporates the waiting time of the most congested node into the path. We investigate the effectiveness of the proposed routing for scale-free network with different clustering coefficients. The shortest path routing strategy and the traffic awareness routing strategy only considering the waiting time of neighbor node are analyzed comparatively. Simulation results show that network capacity is greatly enhanced compared with the shortest path; congestion state increase is relatively slow compared with the traffic awareness routing strategy. Clustering coefficient increase will not only reduce the network throughput, but also result in transmission average path length increase for scale-free network with tunable clustering. The proposed routing is favorable to ease network congestion and network routing strategy design.

Path Integral Computation of Quantum Free Energy Differences Due to Alchemical Transformations Involving Mass and Potential.

PubMed

Pérez, Alejandro; von Lilienfeld, O Anatole

2011-08-09

Thermodynamic integration, perturbation theory, and λ-dynamics methods were applied to path integral molecular dynamics calculations to investigate free energy differences due to "alchemical" transformations. Several estimators were formulated to compute free energy differences in solvable model systems undergoing changes in mass and/or potential. Linear and nonlinear alchemical interpolations were used for the thermodynamic integration. We find improved convergence for the virial estimators, as well as for the thermodynamic integration over nonlinear interpolation paths. Numerical results for the perturbative treatment of changes in mass and electric field strength in model systems are presented. We used thermodynamic integration in ab initio path integral molecular dynamics to compute the quantum free energy difference of the isotope transformation in the Zundel cation. The performance of different free energy methods is discussed.

Requirements Formulation and Dynamic Jitter Analysis for Fourier-Kelvin Stellar Interferometer

NASA Technical Reports Server (NTRS)

Liu, Kuo-Chia; Hyde, Tristram; Blaurock, Carl; Bolognese, Jeff; Howard, Joseph; Danchi, William

2004-01-01

The Fourier-Kelvin Stellar Interferometer (FKSI) has been proposed to detect and characterize extra solar giant planets. The baseline configuration for FKSI is a two- aperture, structurally connected nulling interferometer, capable of providing null depth less than lo4 in the infrared. The objective of this paper is to summarize the process for setting the top level requirements and the jitter analysis performed on FKSI to date. The first part of the paper discusses the derivation of dynamic stability requirements, necessary for meeting the FKSI nulling demands. An integrated model including structures, optics, and control systems has been developed to support dynamic jitter analysis and requirements verification. The second part of the paper describes how the integrated model is used to investigate the effects of reaction wheel disturbances on pointing and optical path difference stabilities.

Hierarchical folding free energy landscape of HP35 revealed by most probable path clustering.

PubMed

Jain, Abhinav; Stock, Gerhard

2014-07-17

Adopting extensive molecular dynamics simulations of villin headpiece protein (HP35) by Shaw and co-workers, a detailed theoretical analysis of the folding of HP35 is presented. The approach is based on the recently proposed most probable path algorithm which identifies the metastable states of the system, combined with dynamical coring of these states in order to obtain a consistent Markov state model. The method facilitates the construction of a dendrogram associated with the folding free-energy landscape of HP35, which reveals a hierarchical funnel structure and shows that the native state is rather a kinetic trap than a network hub. The energy landscape of HP35 consists of the entropic unfolded basin U, where the prestructuring of the protein takes place, the intermediate basin I, which is connected to U via the rate-limiting U → I transition state reflecting the formation of helix-1, and the native basin N, containing a state close to the NMR structure and a native-like state that exhibits enhanced fluctuations of helix-3. The model is in line with recent experimental observations that the intermediate and native states differ mostly in their dynamics (locked vs unlocked states). Employing dihedral angle principal component analysis, subdiffusive motion on a multidimensional free-energy surface is found.

Maneuvering in the Complex Path from Genotype to Phenotype

NASA Astrophysics Data System (ADS)

Strohman, Richard

2002-04-01

Human disease phenotypes are controlled not only by genes but by lawful self-organizing networks that display system-wide dynamics. These networks range from metabolic pathways to signaling pathways that regulate hormone action. When perturbed, networks alter their output of matter and energy which, depending on the environmental context, can produce either a pathological or a normal phenotype. Study of the dynamics of these networks by approaches such as metabolic control analysis may provide new insights into the pathogenesis and treatment of complex diseases.

Analysis and elimination of a bias in targeted molecular dynamics simulations of conformational transitions: application to calmodulin.

PubMed

Ovchinnikov, Victor; Karplus, Martin

2012-07-26

The popular targeted molecular dynamics (TMD) method for generating transition paths in complex biomolecular systems is revisited. In a typical TMD transition path, the large-scale changes occur early and the small-scale changes tend to occur later. As a result, the order of events in the computed paths depends on the direction in which the simulations are performed. To identify the origin of this bias, and to propose a method in which the bias is absent, variants of TMD in the restraint formulation are introduced and applied to the complex open ↔ closed transition in the protein calmodulin. Due to the global best-fit rotation that is typically part of the TMD method, the simulated system is guided implicitly along the lowest-frequency normal modes, until the large spatial scales associated with these modes are near the target conformation. The remaining portion of the transition is described progressively by higher-frequency modes, which correspond to smaller-scale rearrangements. A straightforward modification of TMD that avoids the global best-fit rotation is the locally restrained TMD (LRTMD) method, in which the biasing potential is constructed from a number of TMD potentials, each acting on a small connected portion of the protein sequence. With a uniform distribution of these elements, transition paths that lack the length-scale bias are obtained. Trajectories generated by steered MD in dihedral angle space (DSMD), a method that avoids best-fit rotations altogether, also lack the length-scale bias. To examine the importance of the paths generated by TMD, LRTMD, and DSMD in the actual transition, we use the finite-temperature string method to compute the free energy profile associated with a transition tube around a path generated by each algorithm. The free energy barriers associated with the paths are comparable, suggesting that transitions can occur along each route with similar probabilities. This result indicates that a broad ensemble of paths needs to be calculated to obtain a full description of conformational changes in biomolecules. The breadth of the contributing ensemble suggests that energetic barriers for conformational transitions in proteins are offset by entropic contributions that arise from a large number of possible paths.

Effects of eHealth Literacy on General Practitioner Consultations: A Mediation Analysis

PubMed Central

Fitzpatrick, Mary Anne; Hess, Alexandra; Sudbury-Riley, Lynn; Hartung, Uwe

2017-01-01

Background Most evidence (not all) points in the direction that individuals with a higher level of health literacy will less frequently utilize the health care system than individuals with lower levels of health literacy. The underlying reasons of this effect are largely unclear, though people’s ability to seek health information independently at the time of wide availability of such information on the Internet has been cited in this context. Objective We propose and test two potential mediators of the negative effect of eHealth literacy on health care utilization: (1) health information seeking and (2) gain in empowerment by information seeking. Methods Data were collected in New Zealand, the United Kingdom, and the United States using a Web-based survey administered by a company specialized on providing online panels. Combined, the three samples resulted in a total of 996 baby boomers born between 1946 and 1965 who had used the Internet to search for and share health information in the previous 6 months. Measured variables include eHealth literacy, Internet health information seeking, the self-perceived gain in empowerment by that information, and the number of consultations with one’s general practitioner (GP). Path analysis was employed for data analysis. Results We found a bundle of indirect effect paths showing a positive relationship between health literacy and health care utilization: via health information seeking (Path 1), via gain in empowerment (Path 2), and via both (Path 3). In addition to the emergence of these indirect effects, the direct effect of health literacy on health care utilization disappeared. Conclusions The indirect paths from health literacy via information seeking and empowerment to GP consultations can be interpreted as a dynamic process and an expression of the ability to find, process, and understand relevant information when that is necessary. PMID:28512081

On the analysis of condylar path versus real motion of the temporomandibular joint: application for Sicat Function.

PubMed

Kordaß, Bernd; Ruge, Sebastian

2015-01-01

Analysis of temporomandibular joint (TMJ) function using condylar path tracings is a challenge in functionally oriented dentistry. In most cases, reference points on the skin surface over the TMJ region are defined as "arbitrary", "individual" or "kinematic" condylar hinge axis points, which are displayed as "condylar paths" in motion. To what extent these reference points represent the actual condylar paths in each individual patient is ultimately unclear because the geometric relationship of the actual condyle to the selected reference point is usually unknown. Depending on the location of the point on the condyle and the centers of rotation of mandibular movement, these trajectories can vary greatly during combined rotational and sliding movements (eg, opening and closing movements of the mandible); this represents a grid of points located in the vicinity of the TMJ. To record the actual condylar path as the movement trajectory of a given point (eg, the condylar center), technological solutions are needed with which to link the tracing technology with the appropriate imaging technology capable of scanning the condyle, including the points of interest, and displaying them in real dynamic motion. Sicat Function (Sicat, D-Bonn) is such a solution. Sicat Function links cone beam computed tomography (CBCT) scans (made using the Galileos CBCT scanner; Sirona, Bensheim, Germany) with ultrasound-based, three-dimensional (3D) functional jaw movement recordings of the mandible (made using the JMT+ Jaw Motion Tracker; Sicat, Bonn, Germany). Digital images of the dental arches acquired with the intraoral scanner Cerec system (Sirona) can also be superimposed. This results in the generation of a 3D model of the bony mandible, including the TMJ, which reproduces the 3D real dynamic movement of the condyles simultaneously with that of the condylar paths at defined points (with the condylar centers being a particular point of interest). Sicat Function is an integrated, digital 3D solution for additional instrumental and imaging diagnosis of temporomandibular joint dysfunction (TMD). The primary indication for Sicat Function is persistent, arthrogenic TMD complaints that require additional studies for evaluation of bony structural components of the TMJ.

Wormholes and the cosmological constant problem.

NASA Astrophysics Data System (ADS)

Klebanov, I.

The author reviews the cosmological constant problem and the recently proposed wormhole mechanism for its solution. Summation over wormholes in the Euclidean path integral for gravity turns all the coupling parameters into dynamical variables, sampled from a probability distribution. A formal saddle point analysis results in a distribution with a sharp peak at the cosmological constant equal to zero, which appears to solve the cosmological constant problem. He discusses the instabilities of the gravitational Euclidean path integral and the difficulties with its interpretation. He presents an alternate formalism for baby universes, based on the "third quantization" of the Wheeler-De Witt equation. This approach is analyzed in a minisuperspace model for quantum gravity, where it reduces to simple quantum mechanics. Once again, the coupling parameters become dynamical. Unfortunately, the a priori probability distribution for the cosmological constant and other parameters is typically a smooth function, with no sharp peaks.

Non-Invasive Tension Measurement Devices for Parachute Cordage

NASA Technical Reports Server (NTRS)

Litteken, Douglas A.; Daum, Jared S.

2016-01-01

The need for lightweight and non-intrusive tension measurements has arisen alongside the development of high-fidelity computer models of textile and fluid dynamics. In order to validate these computer models, data must be gathered in the operational environment without altering the design, construction, or performance of the test article. Current measurement device designs rely on severing a cord and breaking the load path to introduce a load cell. These load cells are very reliable, but introduce an area of high stiffness in the load path, directly affecting the structural response, adding excessive weight, and possibly altering the dynamics of the parachute during a test. To capture the required data for analysis validation without affecting the response of the system, non-invasive measurement devices have been developed and tested by NASA. These tension measurement devices offer minimal impact to the mass, form, fit, and function of the test article, while providing reliable, axial tension measurements for parachute cordage.

Motion Path of the Instant Center of Rotation in the Cervical Spine During In Vivo Dynamic Flexion-Extension: Implications for Artificial Disc Design and Evaluation of Motion Quality Following Arthrodesis

PubMed Central

Anderst, William; Baillargeon, Emma; Donaldson, William; Lee, Joon; Kang, James

2013-01-01

Study Design Case-control. Objective To characterize the motion path of the instant center of rotation (ICR) at each cervical motion segment from C2 to C7 during dynamic flexion-extension in asymptomatic subjects. To compare asymptomatic and single-level arthrodesis patient ICR paths. Summary of Background Data The ICR has been proposed as an alternative to range of motion (ROM) for evaluating the quality of spine movement and for identifying abnormal midrange kinematics. The motion path of the ICR during dynamic motion has not been reported. Methods 20 asymptomatic controls, 12 C5/C6 and 5 C6/C7 arthrodesis patients performed full ROM flexion-extension while biplane radiographs were collected at 30 Hz. A previously validated tracking process determined three-dimensional vertebral position with sub-millimeter accuracy. The finite helical axis method was used to calculate the ICR between adjacent vertebrae. A linear mixed-model analysis identified differences in the ICR path among motion segments and between controls and arthrodesis patients. Results From C2/C3 to C6/C7, the mean ICR location moved superior for each successive motion segment (p < .001). The AP change in ICR location per degree of flexion-extension decreased from the C2/C3 motion segment to the C6/C7 motion segment (p < .001). Asymptomatic subject variability (95% CI) in the ICR location averaged ±1.2 mm in the SI direction and ±1.9 mm in the AP direction over all motion segments and flexion-extension angles. Asymptomatic and arthrodesis groups were not significantly different in terms of average ICR position (all p ≥ .091) or in terms of the change in ICR location per degree of flexion-extension (all p ≥ .249). Conclusions To replicate asymptomatic in vivo cervical motion, disc replacements should account for level-specific differences in the location and motion path of ICR. Single-level anterior arthrodesis does not appear to affect cervical motion quality during flexion-extension. PMID:23429677

Path Flow Estimation Using Time Varying Coefficient State Space Model

NASA Astrophysics Data System (ADS)

Jou, Yow-Jen; Lan, Chien-Lun

2009-08-01

The dynamic path flow information is very crucial in the field of transportation operation and management, i.e., dynamic traffic assignment, scheduling plan, and signal timing. Time-dependent path information, which is important in many aspects, is nearly impossible to be obtained. Consequently, researchers have been seeking estimation methods for deriving valuable path flow information from less expensive traffic data, primarily link traffic counts of surveillance systems. This investigation considers a path flow estimation problem involving the time varying coefficient state space model, Gibbs sampler, and Kalman filter. Numerical examples with part of a real network of the Taipei Mass Rapid Transit with real O-D matrices is demonstrated to address the accuracy of proposed model. Results of this study show that this time-varying coefficient state space model is very effective in the estimation of path flow compared to time-invariant model.

Dynamic path planning for mobile robot based on particle swarm optimization

NASA Astrophysics Data System (ADS)

Wang, Yong; Cai, Feng; Wang, Ying

2017-08-01

In the contemporary, robots are used in many fields, such as cleaning, medical treatment, space exploration, disaster relief and so on. The dynamic path planning of robot without collision is becoming more and more the focus of people's attention. A new method of path planning is proposed in this paper. Firstly, the motion space model of the robot is established by using the MAKLINK graph method. Then the A* algorithm is used to get the shortest path from the start point to the end point. Secondly, this paper proposes an effective method to detect and avoid obstacles. When an obstacle is detected on the shortest path, the robot will choose the nearest safety point to move. Moreover, calculate the next point which is nearest to the target. Finally, the particle swarm optimization algorithm is used to optimize the path. The experimental results can prove that the proposed method is more effective.

Molecular Dynamics Simulation Reveals Correlated Inter-Lobe Motion in Protein Lysine Methyltransferase SMYD2.

PubMed

Spellmon, Nicholas; Sun, Xiaonan; Sirinupong, Nualpun; Edwards, Brian; Li, Chunying; Yang, Zhe

2015-01-01

SMYD proteins are an exciting field of study as they are linked to many types of cancer-related pathways. Cardiac and skeletal muscle development and function also depend on SMYD proteins opening a possible avenue for cardiac-related treatment. Previous crystal structure studies have revealed that this special class of protein lysine methyltransferases have a bilobal structure, and an open-closed motion may regulate substrate specificity. Here we use the molecular dynamics simulation to investigate the still-poorly-understood SMYD2 dynamics. Cross-correlation analysis reveals that SMYD2 exhibits a negative correlated inter-lobe motion. Principle component analysis suggests that this correlated dynamic is contributed to by a twisting motion of the C-lobe with respect to the N-lobe and a clamshell-like motion between the lobes. Dynamical network analysis defines possible allosteric paths for the correlated dynamics. There are nine communities in the dynamical network with six in the N-lobe and three in the C-lobe, and the communication between the lobes is mediated by a lobe-bridging β hairpin. This study provides insight into the dynamical nature of SMYD2 and could facilitate better understanding of SMYD2 substrate specificity.

Operationalizing sustainability in urban coastal systems: a system dynamics analysis.

PubMed

Mavrommati, Georgia; Bithas, Kostas; Panayiotidis, Panayiotis

2013-12-15

We propose a system dynamics approach for Ecologically Sustainable Development (ESD) in urban coastal systems. A systematic analysis based on theoretical considerations, policy analysis and experts' knowledge is followed in order to define the concept of ESD. The principles underlying ESD feed the development of a System Dynamics Model (SDM) that connects the pollutant loads produced by urban systems' socioeconomic activities with the ecological condition of the coastal ecosystem that it is delineated in operational terms through key biological elements defined by the EU Water Framework Directive. The receiving waters of the Athens Metropolitan area, which bears the elements of typical high population density Mediterranean coastal city but which currently has also new dynamics induced by the ongoing financial crisis, are used as an experimental system for testing a system dynamics approach to apply the concept of ESD. Systems' thinking is employed to represent the complex relationships among the components of the system. Interconnections and dependencies that determine the potentials for achieving ESD are revealed. The proposed system dynamics analysis can facilitate decision makers to define paths of development that comply with the principles of ESD. Copyright © 2013 Elsevier Ltd. All rights reserved.

Synergistic Modification Induced Specific Recognition between Histone and TRIM24 via Fluctuation Correlation Network Analysis

NASA Astrophysics Data System (ADS)

Zhang, Jinmai; Luo, Huajie; Liu, Hao; Ye, Wei; Luo, Ray; Chen, Hai-Feng

2016-04-01

Histone modification plays a key role in gene regulation and gene expression. TRIM24 as a histone reader can recognize histone modification. However the specific recognition mechanism between TRIM24 and histone modification is unsolved. Here, systems biology method of dynamics correlation network based on molecular dynamics simulation was used to answer the question. Our network analysis shows that the dynamics correlation network of H3K23ac is distinctly different from that of wild type and other modifications. A hypothesis of “synergistic modification induced recognition” is then proposed to link histone modification and TRIM24 binding. These observations were further confirmed from community analysis of networks with mutation and network perturbation. Finally, a possible recognition pathway is also identified based on the shortest path search for H3K23ac. Significant difference of recognition pathway was found among different systems due to methylation and acetylation modifications. The analysis presented here and other studies show that the dynamic network-based analysis might be a useful general strategy to study the biology of protein post-translational modification and associated recognition.

IIR filtering based adaptive active vibration control methodology with online secondary path modeling using PZT actuators

NASA Astrophysics Data System (ADS)

Boz, Utku; Basdogan, Ipek

2015-12-01

Structural vibrations is a major cause for noise problems, discomfort and mechanical failures in aerospace, automotive and marine systems, which are mainly composed of plate-like structures. In order to reduce structural vibrations on these structures, active vibration control (AVC) is an effective approach. Adaptive filtering methodologies are preferred in AVC due to their ability to adjust themselves for varying dynamics of the structure during the operation. The filtered-X LMS (FXLMS) algorithm is a simple adaptive filtering algorithm widely implemented in active control applications. Proper implementation of FXLMS requires availability of a reference signal to mimic the disturbance and model of the dynamics between the control actuator and the error sensor, namely the secondary path. However, the controller output could interfere with the reference signal and the secondary path dynamics may change during the operation. This interference problem can be resolved by using an infinite impulse response (IIR) filter which considers feedback of the one or more previous control signals to the controller output and the changing secondary path dynamics can be updated using an online modeling technique. In this paper, IIR filtering based filtered-U LMS (FULMS) controller is combined with online secondary path modeling algorithm to suppress the vibrations of a plate-like structure. The results are validated through numerical and experimental studies. The results show that the FULMS with online secondary path modeling approach has more vibration rejection capabilities with higher convergence rate than the FXLMS counterpart.

Study on the Characteristics of Gas Molecular Mean Free Path in Nanopores by Molecular Dynamics Simulations

PubMed Central

Liu, Qixin; Cai, Zhiyong

2014-01-01

This paper presents studies on the characteristics of gas molecular mean free path in nanopores by molecular dynamics simulation. Our study results indicate that the mean free path of all molecules in nanopores depend on both the radius of the nanopore and the gas-solid interaction strength. Besides mean free path of all molecules in the nanopore, this paper highlights the gas molecular mean free path at different positions of the nanopore and the anisotropy of the gas molecular mean free path at nanopores. The molecular mean free path varies with the molecule’s distance from the center of the nanopore. The least value of the mean free path occurs at the wall surface of the nanopore. The present paper found that the gas molecular mean free path is anisotropic when gas is confined in nanopores. The radial gas molecular mean free path is much smaller than the mean free path including all molecular collisions occuring in three directions. Our study results also indicate that when gas is confined in nanopores the gas molecule number density does not affect the gas molecular mean free path in the same way as it does for the gas in unbounded space. These study results may bring new insights into understanding the gas flow’s characteristic at nanoscale. PMID:25046745

Rearfoot eversion has indirect effects on plantar fascia tension by changing the amount of arch collapse.

PubMed

Lee, Sae Yong; Hertel, Jay; Lee, Sung Cheol

2010-01-01

Rearfoot eversion motion and arch height are believed to contribute to increased tension on the plantar fascia and arch collapse during gait but the specifics of these relationships are not clear. To examine the relationships among static arch height, rearfoot eversion, dynamic arch height, and plantar fascia tension. 28 healthy males participated. After static arch height was measured, the subjects were asked to run at 4.5m/s while frontal plane rearfoot motion, dynamic arch height, and ground reaction forces were collected. The relationships among variables were examined with bivariate correlations and path analysis. The results indicated a high correlation between dynamic arch height and static arch height (r=0.642), plantar fascia tension (r=-0.797), and maximum rearfoot eversion motion during gait (r=-0.518). The path analysis model without the direct rearfoot eversion effect explained 81.2% of the variance in plantar fascia tension, while the model with the direct rearfoot eversion effect explained 82.1% of the variance in plantar fascia tension. Including the indirect effect of maximum rearfoot eversion motion on plantar fascia tension through control of dynamic arch height is the model that best explains the interrelationships of these foot characteristics. The amount of maximum rearfoot eversion motion itself is not a good predictor of plantar fascia tension, however, together with the arch height, maximum rearfoot eversion motion is a good predictor because it has a pronounced indirect effect on plantar fascia tension. Copyright 2010. Published by Elsevier Ltd.

Mesoscale Characteristics and the Role of Deformation on Ocean Dynamics

DTIC Science & Technology

1991-06-05

34 Thilus, 41 (A), 416-435, 1989. 3. "Ring Evolution in General Circulation Models from Path Analysis ," J. Geo- phys. Res., 95(C10), 18057-18073, 1990...Loop Curren: (up to three in I year [Elliot,. by Vaukovih and Crt, ,tman (19861. Analysis of drifter data 19821). Lewi.a and Kirwan (1983. 19871...seventh drifter. the Lagrangian data sets along with an analysis and anterpre- number 3354. was entrained in the Loop Current at the tim. tation of

Understanding of Relation Structures of Graphical Models by Lower Secondary Students

ERIC Educational Resources Information Center

van Buuren, Onne; Heck, André; Ellermeijer, Ton

2016-01-01

A learning path has been developed on system dynamical graphical modelling, integrated into the Dutch lower secondary physics curriculum. As part of the developmental research for this learning path, students' understanding of the relation structures shown in the diagrams of graphical system dynamics based models has been investigated. One of our…

Large dynamic range optical vector analyzer based on optical single-sideband modulation and Hilbert transform

NASA Astrophysics Data System (ADS)

Xue, Min; Pan, Shilong; Zhao, Yongjiu

2016-07-01

A large dynamic range optical vector analyzer (OVA) based on optical single-sideband modulation is proposed and demonstrated. By dividing the optical signal after optical device under test into two paths, reversing the phase of one swept sideband using a Hilbert transformer in one path, and detecting the two signals from the two paths with a balanced photodetector, the measurement errors induced by the residual -1st-order sideband and the high-order sidebands can be eliminated and the dynamic range of the measurement is increased. In a proof-of-concept experiment, the stimulated Brillouin scattering and a fiber Bragg grating are measured by OVAs with and without the Hilbert transform and balanced photodetection. Results show that about 40-dB improvement in the measurement dynamic range is realized by the proposed OVA.

Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane

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

Liu, Jian, E-mail: jianliupku@pku.edu.cn; State Key Joint Laboratory of Environmental Simulation and Pollution Control, College of Environmental Sciences and Engineering, Peking University, Beijing 100871; Zhang, Zhijun

Path integral Liouville dynamics (PILD) is applied to vibrational dynamics of several simple but representative realistic molecular systems (OH, water, ammonia, and methane). The dipole-derivative autocorrelation function is employed to obtain the infrared spectrum as a function of temperature and isotopic substitution. Comparison to the exact vibrational frequency shows that PILD produces a reasonably accurate peak position with a relatively small full width at half maximum. PILD offers a potentially useful trajectory-based quantum dynamics approach to compute vibrational spectra of molecular systems.

Hierarchical Motion Planning for Autonomous Aerial and Terrestrial Vehicles

NASA Astrophysics Data System (ADS)

Cowlagi, Raghvendra V.

Autonomous mobile robots---both aerial and terrestrial vehicles---have gained immense importance due to the broad spectrum of their potential military and civilian applications. One of the indispensable requirements for the autonomy of a mobile vehicle is the vehicle's capability of planning and executing its motion, that is, finding appropriate control inputs for the vehicle such that the resulting vehicle motion satisfies the requirements of the vehicular task. The motion planning and control problem is inherently complex because it involves two disparate sub-problems: (1) satisfaction of the vehicular task requirements, which requires tools from combinatorics and/or formal methods, and (2) design of the vehicle control laws, which requires tools from dynamical systems and control theory. Accordingly, this problem is usually decomposed and solved over two levels of hierarchy. The higher level, called the geometric path planning level, finds a geometric path that satisfies the vehicular task requirements, e.g., obstacle avoidance. The lower level, called the trajectory planning level, involves sufficient smoothening of this geometric path followed by a suitable time parametrization to obtain a reference trajectory for the vehicle. Although simple and efficient, such hierarchical decomposition suffers a serious drawback: the geometric path planner has no information of the kinematical and dynamical constraints of the vehicle. Consequently, the geometric planner may produce paths that the trajectory planner cannot transform into a feasible reference trajectory. Two main ideas appear in the literature to remedy this problem: (a) randomized sampling-based planning, which eliminates the geometric planner altogether by planning in the vehicle state space, and (b) geometric planning supported by feedback control laws. The former class of methods suffer from a lack of optimality of the resultant trajectory, while the latter class of methods makes a restrictive assumption concerning the vehicle kinematical model. We propose a hierarchical motion planning framework based on a novel mode of interaction between these two levels of planning. This interaction rests on the solution of a special shortest-path problem on graphs, namely, one using costs defined on multiple edge transitions in the path instead of the usual single edge transition costs. These costs are provided by a local trajectory generation algorithm, which we implement using model predictive control and the concept of effective target sets for simplifying the non-convex constraints involved in the problem. The proposed motion planner ensures "consistency" between the two levels of planning, i.e., a guarantee that the higher level geometric path is always associated with a kinematically and dynamically feasible trajectory. The main contributions of this thesis are: 1. A motion planning framework based on history-dependent costs (H-costs) in cell decomposition graphs for incorporating vehicle dynamical constraints: this framework offers distinct advantages in comparison with the competing approaches of discretization of the state space, of randomized sampling-based motion planning, and of local feedback-based, decoupled hierarchical motion planning, 2. An efficient and flexible algorithm for finding optimal H-cost paths, 3. A precise and general formulation of a local trajectory problem (the tile motion planning problem) that allows independent development of the discrete planner and the trajectory planner, while maintaining "compatibility" between the two planners, 4. A local trajectory generation algorithm using mpc, and the application of the concept of effective target sets for a significant simplification of the local trajectory generation problem, 5. The geometric analysis of curvature-bounded traversal of rectangular channels, leading to less conservative results in comparison with a result reported in the literature, and also to the efficient construction of effective target sets for the solution of the tile motion planning problem, 6. A wavelet-based multi-resolution path planning scheme, and a proof of completeness of the proposed scheme: such proofs are altogether absent from other works on multi-resolution path planning, 7. A technique for extracting all information about cells---namely, the locations, the sizes, and the associated image intensities---directly from the set of significant detail coefficients considered for path planning at a given iteration, and 8. The extension of the multi-resolution path planning scheme to include vehicle dynamical constraints using the aforementioned history-dependent costs approach. The future work includes an implementation of the proposed framework involving a discrete planner that solves classical planning problems more general than the single-query path planning problem considered thus far, and involving trajectory generation schemes for realistic vehicle dynamical models such as the bicycle model.

A collaborative network middleware project by Lambda Station, TeraPaths, and Phoebus

NASA Astrophysics Data System (ADS)

Bobyshev, A.; Bradley, S.; Crawford, M.; DeMar, P.; Katramatos, D.; Shroff, K.; Swany, M.; Yu, D.

2010-04-01

The TeraPaths, Lambda Station, and Phoebus projects, funded by the US Department of Energy, have successfully developed network middleware services that establish on-demand and manage true end-to-end, Quality-of-Service (QoS) aware, virtual network paths across multiple administrative network domains, select network paths and gracefully reroute traffic over these dynamic paths, and streamline traffic between packet and circuit networks using transparent gateways. These services improve network QoS and performance for applications, playing a critical role in the effective use of emerging dynamic circuit network services. They provide interfaces to applications, such as dCache SRM, translate network service requests into network device configurations, and coordinate with each other to setup up end-to-end network paths. The End Site Control Plane Subsystem (ESCPS) builds upon the success of the three projects by combining their individual capabilities into the next generation of network middleware. ESCPS addresses challenges such as cross-domain control plane signalling and interoperability, authentication and authorization in a Grid environment, topology discovery, and dynamic status tracking. The new network middleware will take full advantage of the perfSONAR monitoring infrastructure and the Inter-Domain Control plane efforts and will be deployed and fully vetted in the Large Hadron Collider data movement environment.

Coupled long term simulation of reach scale water and heat fluxes across the river groundwater interface and hyporheic temperature dynamics

NASA Astrophysics Data System (ADS)

Munz, Matthias; Oswald, Sascha E.; Schmidt, Christian

2017-04-01

Flow pattern and seasonal as well as diurnal temperature variations control ecological and biogeochemical conditions in hyporheic sediments. In particular, hyporheic temperatures have a great impact on many microbial processes. In this study we used 3-D coupled water flow and heat transport simulations applying the HydroGeoSphere code in combination with high frequent observations of hydraulic heads and temperatures for quantifying reach scale water and heat flux across the river groundwater interface and hyporheic temperature dynamics of a lowland gravel-bed river. The magnitude and dynamics of simulated temperatures matched the observed with an average mean absolute error of 0.7 °C and an average Nash Sutcliffe Efficiency of 0.87. Our results highlight that the average temperature in the hyporheic zone follows the temperature in the river which is characterized by distinct seasonal and daily temperature cycles. Individual hyporheic flow path temperature substantially varies around the average hyporheic temperature. Hyporheic flow path temperature was found to strongly depend on the flow path residence time and the temperature gradient between river and groundwater; that is, in winter the average flow path temperature of long flow paths is potentially higher compared to short flow paths. Based on the simulation results we derived a general empirical relationship, estimating the influence of hyporheic flow path residence time on hyporheic flow path temperature. Furthermore we used an empirical temperature relationship between effective temperature and respiration rate to estimate the influence of hyporheic flow path residence time and temperature on hyporheic oxygen consumption. This study highlights the relation between complex hyporheic temperature patterns, hyporheic residence times and their implications on temperature sensitive biogeochemical processes.

Dynamical characterization of inactivation path in voltage-gated Na+ ion channel by non-equilibrium response spectroscopy

PubMed Central

Pal, Krishnendu; Gangopadhyay, Gautam

2016-01-01

ABSTRACT Inactivation path of voltage gated sodium channel has been studied here under various voltage protocols as it is the main governing factor for the periodic occurrence and shape of the action potential. These voltage protocols actually serve as non-equilibrium response spectroscopic tools to study the ion channel in non-equilibrium environment. In contrast to a lot of effort in finding the crystal structure based molecular mechanism of closed-state(CSI) and open-state inactivation(OSI); here our approach is to understand the dynamical characterization of inactivation. The kinetic flux as well as energetic contribution of the closed and open- state inactivation path is compared here for voltage protocols, namely constant, pulsed and oscillating. The non-equilibrium thermodynamic quantities used in response to these voltage protocols serve as improved characterization tools for theoretical understanding which not only agrees with the previously known kinetic measurements but also predict the energetically optimum processes to sustain the auto-regulatory mechanism of action potential and the consequent inactivation steps needed. The time dependent voltage pattern governs the population of the conformational states which when couple with characteristic rate parameters, the CSI and OSI selectivity arise dynamically to control the inactivation path. Using constant, pulsed and continuous oscillating voltage protocols we have shown that during depolarization the OSI path is more favored path of inactivation however, in the hyper-polarized situation the CSI is favored. It is also shown that the re-factorisation of inactivated sodium channel to resting state occurs via CSI path. Here we have shown how the subtle energetic and entropic cost due to the change in the depolarization magnitude determines the optimum path of inactivation. It is shown that an efficient CSI and OSI dynamical profile in principle can characterize the open-state drug blocking phenomena. PMID:27367642

Greedy algorithms in disordered systems

NASA Astrophysics Data System (ADS)

Duxbury, P. M.; Dobrin, R.

1999-08-01

We discuss search, minimal path and minimal spanning tree algorithms and their applications to disordered systems. Greedy algorithms solve these problems exactly, and are related to extremal dynamics in physics. Minimal cost path (Dijkstra) and minimal cost spanning tree (Prim) algorithms provide extremal dynamics for a polymer in a random medium (the KPZ universality class) and invasion percolation (without trapping) respectively.

Energy-optimal path planning by stochastic dynamically orthogonal level-set optimization

NASA Astrophysics Data System (ADS)

Subramani, Deepak N.; Lermusiaux, Pierre F. J.

2016-04-01

A stochastic optimization methodology is formulated for computing energy-optimal paths from among time-optimal paths of autonomous vehicles navigating in a dynamic flow field. Based on partial differential equations, the methodology rigorously leverages the level-set equation that governs time-optimal reachability fronts for a given relative vehicle-speed function. To set up the energy optimization, the relative vehicle-speed and headings are considered to be stochastic and new stochastic Dynamically Orthogonal (DO) level-set equations are derived. Their solution provides the distribution of time-optimal reachability fronts and corresponding distribution of time-optimal paths. An optimization is then performed on the vehicle's energy-time joint distribution to select the energy-optimal paths for each arrival time, among all stochastic time-optimal paths for that arrival time. Numerical schemes to solve the reduced stochastic DO level-set equations are obtained, and accuracy and efficiency considerations are discussed. These reduced equations are first shown to be efficient at solving the governing stochastic level-sets, in part by comparisons with direct Monte Carlo simulations. To validate the methodology and illustrate its accuracy, comparisons with semi-analytical energy-optimal path solutions are then completed. In particular, we consider the energy-optimal crossing of a canonical steady front and set up its semi-analytical solution using a energy-time nested nonlinear double-optimization scheme. We then showcase the inner workings and nuances of the energy-optimal path planning, considering different mission scenarios. Finally, we study and discuss results of energy-optimal missions in a wind-driven barotropic quasi-geostrophic double-gyre ocean circulation.

Perspective: Maximum caliber is a general variational principle for dynamical systems

NASA Astrophysics Data System (ADS)

Dixit, Purushottam D.; Wagoner, Jason; Weistuch, Corey; Pressé, Steve; Ghosh, Kingshuk; Dill, Ken A.

2018-01-01

We review here Maximum Caliber (Max Cal), a general variational principle for inferring distributions of paths in dynamical processes and networks. Max Cal is to dynamical trajectories what the principle of maximum entropy is to equilibrium states or stationary populations. In Max Cal, you maximize a path entropy over all possible pathways, subject to dynamical constraints, in order to predict relative path weights. Many well-known relationships of non-equilibrium statistical physics—such as the Green-Kubo fluctuation-dissipation relations, Onsager's reciprocal relations, and Prigogine's minimum entropy production—are limited to near-equilibrium processes. Max Cal is more general. While it can readily derive these results under those limits, Max Cal is also applicable far from equilibrium. We give examples of Max Cal as a method of inference about trajectory distributions from limited data, finding reaction coordinates in bio-molecular simulations, and modeling the complex dynamics of non-thermal systems such as gene regulatory networks or the collective firing of neurons. We also survey its basis in principle and some limitations.

Perspective: Maximum caliber is a general variational principle for dynamical systems.

PubMed

Dixit, Purushottam D; Wagoner, Jason; Weistuch, Corey; Pressé, Steve; Ghosh, Kingshuk; Dill, Ken A

2018-01-07

We review here Maximum Caliber (Max Cal), a general variational principle for inferring distributions of paths in dynamical processes and networks. Max Cal is to dynamical trajectories what the principle of maximum entropy is to equilibrium states or stationary populations. In Max Cal, you maximize a path entropy over all possible pathways, subject to dynamical constraints, in order to predict relative path weights. Many well-known relationships of non-equilibrium statistical physics-such as the Green-Kubo fluctuation-dissipation relations, Onsager's reciprocal relations, and Prigogine's minimum entropy production-are limited to near-equilibrium processes. Max Cal is more general. While it can readily derive these results under those limits, Max Cal is also applicable far from equilibrium. We give examples of Max Cal as a method of inference about trajectory distributions from limited data, finding reaction coordinates in bio-molecular simulations, and modeling the complex dynamics of non-thermal systems such as gene regulatory networks or the collective firing of neurons. We also survey its basis in principle and some limitations.

A Comparison of Risk Sensitive Path Planning Methods for Aircraft Emergency Landing

NASA Technical Reports Server (NTRS)

Meuleau, Nicolas; Plaunt, Christian; Smith, David E.; Smith, Tristan

2009-01-01

Determining the best site to land a damaged aircraft presents some interesting challenges for standard path planning techniques. There are multiple possible locations to consider, the space is 3-dimensional with dynamics, the criteria for a good path is determined by overall risk rather than distance or time, and optimization really matters, since an improved path corresponds to greater expected survival rate. We have investigated a number of different path planning methods for solving this problem, including cell decomposition, visibility graphs, probabilistic road maps (PRMs), and local search techniques. In their pure form, none of these techniques have proven to be entirely satisfactory - some are too slow or unpredictable, some produce highly non-optimal paths or do not find certain types of paths, and some do not cope well with the dynamic constraints when controllability is limited. In the end, we are converging towards a hybrid technique that involves seeding a roadmap with a layered visibility graph, using PRM to extend that roadmap, and using local search to further optimize the resulting paths. We describe the techniques we have investigated, report on our experiments with these techniques, and discuss when and why various techniques were unsatisfactory.

Characterization and Comparison of Vibration Transfer Paths in a Helicopter Gearbox and a Fixture Mounted Gearbox

NASA Technical Reports Server (NTRS)

Islam, Akm Anwarul; Dempsey, Paula J.; Feldman, Jason; Larsen, Chris

2014-01-01

Health monitoring of rotorcraft components, currently being performed by Health and Usage Monitoring Systems through analyses of vibration signatures of dynamic mechanical components, is very important for their safe and economic operation. HUMS analyze vibration signatures associated with faults and quantify them as condition indicators to predict component behavior. Vibration transfer paths are characterized by frequency response functions derived from the input/output relationship between applied force and dynamic response through a structure as a function of frequency. With an objective to investigate the differences in transfer paths, transfer path measurements were recorded under similar conditions in the left and right nose gearboxes of an AH-64 helicopter and in an isolated left nose gearbox in a test fixture at NASA Glenn Research Center. The test fixture enabled the application of measured torques-common during an actual operation. An impact hammer as well as commercial and lab piezo shakers, were used in conjunction with two types of commercially available accelerometers to collect the vibration response under various test conditions. The frequency response functions measured under comparable conditions of both systems were found to be consistent. Measurements made on the fixture indicated certain real-world installation and maintenance issues, such as sensor alignments, accelerometer locations and installation torques, had minimal effect. However, gear vibration transfer path dynamics appeared to be somewhat dependent on the presence of oil, and the transfer path dynamics were notably different if the force input was on the internal ring gear rather than on the external gearbox case.

IAC user manual

NASA Technical Reports Server (NTRS)

Vos, R. G.; Beste, D. L.; Gregg, J.

1984-01-01

The User Manual for the Integrated Analysis Capability (IAC) Level 1 system is presented. The IAC system currently supports the thermal, structures, controls and system dynamics technologies, and its development is influenced by the requirements for design/analysis of large space systems. The system has many features which make it applicable to general problems in engineering, and to management of data and software. Information includes basic IAC operation, executive commands, modules, solution paths, data organization and storage, IAC utilities, and module implementation.

Aircraft path planning for optimal imaging using dynamic cost functions

NASA Astrophysics Data System (ADS)

Christie, Gordon; Chaudhry, Haseeb; Kochersberger, Kevin

2015-05-01

Unmanned aircraft development has accelerated with recent technological improvements in sensing and communications, which has resulted in an "applications lag" for how these aircraft can best be utilized. The aircraft are becoming smaller, more maneuverable and have longer endurance to perform sensing and sampling missions, but operating them aggressively to exploit these capabilities has not been a primary focus in unmanned systems development. This paper addresses a means of aerial vehicle path planning to provide a realistic optimal path in acquiring imagery for structure from motion (SfM) reconstructions and performing radiation surveys. This method will allow SfM reconstructions to occur accurately and with minimal flight time so that the reconstructions can be executed efficiently. An assumption is made that we have 3D point cloud data available prior to the flight. A discrete set of scan lines are proposed for the given area that are scored based on visibility of the scene. Our approach finds a time-efficient path and calculates trajectories between scan lines and over obstacles encountered along those scan lines. Aircraft dynamics are incorporated into the path planning algorithm as dynamic cost functions to create optimal imaging paths in minimum time. Simulations of the path planning algorithm are shown for an urban environment. We also present our approach for image-based terrain mapping, which is able to efficiently perform a 3D reconstruction of a large area without the use of GPS data.

Energy Optimal Path Planning: Integrating Coastal Ocean Modelling with Optimal Control

NASA Astrophysics Data System (ADS)

Subramani, D. N.; Haley, P. J., Jr.; Lermusiaux, P. F. J.

2016-02-01

A stochastic optimization methodology is formulated for computing energy-optimal paths from among time-optimal paths of autonomous vehicles navigating in a dynamic flow field. To set up the energy optimization, the relative vehicle speed and headings are considered to be stochastic, and new stochastic Dynamically Orthogonal (DO) level-set equations that govern their stochastic time-optimal reachability fronts are derived. Their solution provides the distribution of time-optimal reachability fronts and corresponding distribution of time-optimal paths. An optimization is then performed on the vehicle's energy-time joint distribution to select the energy-optimal paths for each arrival time, among all stochastic time-optimal paths for that arrival time. The accuracy and efficiency of the DO level-set equations for solving the governing stochastic level-set reachability fronts are quantitatively assessed, including comparisons with independent semi-analytical solutions. Energy-optimal missions are studied in wind-driven barotropic quasi-geostrophic double-gyre circulations, and in realistic data-assimilative re-analyses of multiscale coastal ocean flows. The latter re-analyses are obtained from multi-resolution 2-way nested primitive-equation simulations of tidal-to-mesoscale dynamics in the Middle Atlantic Bight and Shelbreak Front region. The effects of tidal currents, strong wind events, coastal jets, and shelfbreak fronts on the energy-optimal paths are illustrated and quantified. Results showcase the opportunities for longer-duration missions that intelligently utilize the ocean environment to save energy, rigorously integrating ocean forecasting with optimal control of autonomous vehicles.

Mortality, migration, income, and air pollution: a comparative study

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

Bozzo, S.R.; Novak, K.M.; Galdos, F.

1978-06-02

The interrelationships among different demographic factors, specific causes of death, median family income, and estimated air pollution emissions were examined. Using the Medical Data Base (MEDABA) developed at Brookhaven National Laboratory, the entire population of the United States was cross-tabulated by income and emission levels of air pollutants. Path analysis was used to examine a number of patterns and relationships for each age, race, and sex group containing a minimum of 10,000 persons. Competitive and complementary effects were observed. These effects were frequently age dependent and occasionaly sex related. This specialized data base, the application of path analysis, and themore » development of a dynamic population and mortality model, in combination, proved to be a useful tool for investigating the effects of energy related pollutants on the exposed population.« less

Equipartition terms in transition path ensemble: Insights from molecular dynamics simulations of alanine dipeptide.

PubMed

Li, Wenjin

2018-02-28

Transition path ensemble consists of reactive trajectories and possesses all the information necessary for the understanding of the mechanism and dynamics of important condensed phase processes. However, quantitative description of the properties of the transition path ensemble is far from being established. Here, with numerical calculations on a model system, the equipartition terms defined in thermal equilibrium were for the first time estimated in the transition path ensemble. It was not surprising to observe that the energy was not equally distributed among all the coordinates. However, the energies distributed on a pair of conjugated coordinates remained equal. Higher energies were observed to be distributed on several coordinates, which are highly coupled to the reaction coordinate, while the rest were almost equally distributed. In addition, the ensemble-averaged energy on each coordinate as a function of time was also quantified. These quantitative analyses on energy distributions provided new insights into the transition path ensemble.

Causality, mediation and time: a dynamic viewpoint

PubMed Central

Aalen, Odd O; Røysland, Kjetil; Gran, Jon Michael; Ledergerber, Bruno

2012-01-01

Summary. Time dynamics are often ignored in causal modelling. Clearly, causality must operate in time and we show how this corresponds to a mechanistic, or system, understanding of causality. The established counterfactual definitions of direct and indirect effects depend on an ability to manipulate the mediator which may not hold in practice, and we argue that a mechanistic view may be better. Graphical representations based on local independence graphs and dynamic path analysis are used to facilitate communication as well as providing an overview of the dynamic relations ‘at a glance’. The relationship between causality as understood in a mechanistic and in an interventionist sense is discussed. An example using data from the Swiss HIV Cohort Study is presented. PMID:23193356

A Comparison of Two Path Planners for Planetary Rovers

NASA Technical Reports Server (NTRS)

Tarokh, M.; Shiller, Z.; Hayati, S.

1999-01-01

The paper presents two path planners suitable for planetary rovers. The first is based on fuzzy description of the terrain, and genetic algorithm to find a traversable path in a rugged terrain. The second planner uses a global optimization method with a cost function that is the path distance divided by the velocity limit obtained from the consideration of the rover static and dynamic stability. A description of both methods is provided, and the results of paths produced are given which show the effectiveness of the path planners in finding near optimal paths. The features of the methods and their suitability and application for rover path planning are compared

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory.

PubMed

Marsalek, Ondrej; Markland, Thomas E

2016-02-07

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.

Path probability of stochastic motion: A functional approach

NASA Astrophysics Data System (ADS)

Hattori, Masayuki; Abe, Sumiyoshi

2016-06-01

The path probability of a particle undergoing stochastic motion is studied by the use of functional technique, and the general formula is derived for the path probability distribution functional. The probability of finding paths inside a tube/band, the center of which is stipulated by a given path, is analytically evaluated in a way analogous to continuous measurements in quantum mechanics. Then, the formalism developed here is applied to the stochastic dynamics of stock price in finance.

Enzymatic reaction paths as determined by transition path sampling

NASA Astrophysics Data System (ADS)

Masterson, Jean Emily

Enzymes are biological catalysts capable of enhancing the rates of chemical reactions by many orders of magnitude as compared to solution chemistry. Since the catalytic power of enzymes routinely exceeds that of the best artificial catalysts available, there is much interest in understanding the complete nature of chemical barrier crossing in enzymatic reactions. Two specific questions pertaining to the source of enzymatic rate enhancements are investigated in this work. The first is the issue of how fast protein motions of an enzyme contribute to chemical barrier crossing. Our group has previously identified sub-picosecond protein motions, termed promoting vibrations (PVs), that dynamically modulate chemical transformation in several enzymes. In the case of human heart lactate dehydrogenase (hhLDH), prior studies have shown that a specific axis of residues undergoes a compressional fluctuation towards the active site, decreasing a hydride and a proton donor--acceptor distance on a sub-picosecond timescale to promote particle transfer. To more thoroughly understand the contribution of this dynamic motion to the enzymatic reaction coordinate of hhLDH, we conducted transition path sampling (TPS) using four versions of the enzymatic system: a wild type enzyme with natural isotopic abundance; a heavy enzyme where all the carbons, nitrogens, and non-exchangeable hydrogens were replaced with heavy isotopes; and two versions of the enzyme with mutations in the axis of PV residues. We generated four separate ensembles of reaction paths and analyzed each in terms of the reaction mechanism, time of barrier crossing, dynamics of the PV, and residues involved in the enzymatic reaction coordinate. We found that heavy isotopic substitution of hhLDH altered the sub-picosecond dynamics of the PV, changed the favored reaction mechanism, dramatically increased the time of barrier crossing, but did not have an effect on the specific residues involved in the PV. In the mutant systems, we observed changes in the reaction mechanism and altered contributions of the mutated residues to the enzymatic reaction coordinate, but we did not detect a substantial change in the time of barrier crossing. These results confirm the importance of maintaining the dynamics and structural scaffolding of the hhLDH PV in order to facilitate facile barrier passage. We also utilized TPS to investigate the possible role of fast protein dynamics in the enzymatic reaction coordinate of human dihydrofolate reductase (hsDHFR). We found that sub-picosecond dynamics of hsDHFR do contribute to the reaction coordinate, whereas this is not the case in the E. coli version of the enzyme. This result indicates a shift in the DHFR family to a more dynamic version of catalysis. The second inquiry we addressed in this thesis regarding enzymatic barrier passage concerns the variability of paths through reactive phase space for a given enzymatic reaction. We further investigated the hhLDH-catalyzed reaction using a high-perturbation TPS algorithm. Though we saw that alternate reaction paths were possible, the dominant reaction path we observed corresponded to that previously elucidated in prior hhLDH TPS studies. Since the additional reaction paths we observed were likely high-energy, these results indicate that only the dominant reaction path contributes significantly to the overall reaction rate. In conclusion, we show that the enzymes hhLDH and hsDHFR exhibit paths through reactive phase space where fast protein motions are involved in the enzymatic reaction coordinate and exhibit a non-negligible contribution to chemical barrier crossing.

Modeling the maneuvering of a vehicle

NASA Astrophysics Data System (ADS)

Antonyuk, E. Ya.; Zabuga, A. T.

2012-07-01

A kinematic model of one- and two-link robotic vehicles with two or three steerable wheels is considered. A nonsmooth path in the form of an astroid enveloping the positions of the robot is planned. The motion of a two-link vehicle with such a trajectory is modeled. A numerical analysis of the dynamic of robots is performed determining the reactions of nonholonomic constraints

Characteristics of Lower Leg Muscle Activity in Patients with Cerebral Palsy during Cycling on an Ergometer.

PubMed

Roy, Susmita; Alves-Pinto, Ana; Lampe, Renée

2018-01-01

Cycling on ergometer is often part of rehabilitation programs for patients with cerebral palsy (CP). The present study analyzed activity patterns of individual lower leg muscle during active cycling on ergometer in patients with CP and compared them to similar recordings in healthy participants. Electromyographic (EMG) recordings of lower leg muscle activity were collected from 14 adult patients and 10 adult healthy participants. Activity of the following muscles was recorded: Musculus tibialis anterior, Musculus gastrocnemius, Musculus rectus femoris, and Musculus biceps femoris. Besides qualitative analysis also quantitative analysis of individual muscle activity was performed by computing the coefficient of variation of EMG signal amplitude. More irregular EMG patterns were observed in patients in comparison to healthy participants: agonist-antagonist cocontractions were more frequent, muscle activity measured at specific points of the cycle path was more variable, and dynamic range of muscle activity along the cycle path was narrower in patients. Hypertonicity was also more frequent in patients. Muscle activity patterns during cycling differed substantially across patients. It showed irregular nature and occasional sharp high peaks. Dynamic range was also narrower than in controls. Observations underline the need for individualized cycling training to optimize rehabilitation effects.

On the nonlinear forced response of the North Atlantic atmosphere to meridional shifts of the Gulf Stream path

NASA Astrophysics Data System (ADS)

Seo, H.; Kwon, Y. O.; Joyce, T. M.; Ummenhofer, C.

2016-12-01

This study examines the North Atlantic atmospheric circulation response to the meridional shift of Gulf Stream path using a large-ensemble, high-resolution, and hemispheric-scale WRF simulations. The model is forced with wintertime SST anomalies derived from a wide range of Gulf Stream shift scenarios. The key result of the model experiments, supported in part by an independent analysis of a reanalysis data set, is that the large-scale, quasi-steady North Atlantic circulation response is unambiguously nonlinear about the sign and amplitude of chosen SST anomalies. This nonlinear response prevails over the weak linear response and resembles the negative North Atlantic Oscillation, the leading intrinsic mode of variability in the model and the observations. Further analysis of the associated dynamics reveals that the nonlinear responses are accompanied by the anomalous southward shift of the North Atlantic eddy-driven jet stream, which is reinforced nearly equally by the high-frequency transient eddy feedback and the low-frequency high-latitude wave breaking events. The result highlights the importance of the intrinsically nonlinear transient eddy dynamics and eddy-mean flow interactions in generating the nonlinear forced response to the meridional shift in the Gulf Stream.

High-Resolution Free-Energy Landscape Analysis of α-Helical Protein Folding: HP35 and Its Double Mutant

PubMed Central

2013-01-01

The free-energy landscape can provide a quantitative description of folding dynamics, if determined as a function of an optimally chosen reaction coordinate. Here, we construct the optimal coordinate and the associated free-energy profile for all-helical proteins HP35 and its norleucine (Nle/Nle) double mutant, based on realistic equilibrium folding simulations [Piana et al. Proc. Natl. Acad. Sci. U.S.A.2012, 109, 17845]. From the obtained profiles, we directly determine such basic properties of folding dynamics as the configurations of the minima and transition states (TS), the formation of secondary structure and hydrophobic core during the folding process, the value of the pre-exponential factor and its relation to the transition path times, the relation between the autocorrelation times in TS and minima. We also present an investigation of the accuracy of the pre-exponential factor estimation based on the transition-path times. Four different estimations of the pre-exponential factor for both proteins give k0–1 values of approximately a few tens of nanoseconds. Our analysis gives detailed information about folding of the proteins and can serve as a rigorous common language for extensive comparison between experiment and simulation. PMID:24348206

High-Resolution Free-Energy Landscape Analysis of α-Helical Protein Folding: HP35 and Its Double Mutant.

PubMed

Banushkina, Polina V; Krivov, Sergei V

2013-12-10

The free-energy landscape can provide a quantitative description of folding dynamics, if determined as a function of an optimally chosen reaction coordinate. Here, we construct the optimal coordinate and the associated free-energy profile for all-helical proteins HP35 and its norleucine (Nle/Nle) double mutant, based on realistic equilibrium folding simulations [Piana et al. Proc. Natl. Acad. Sci. U.S.A. 2012 , 109 , 17845]. From the obtained profiles, we directly determine such basic properties of folding dynamics as the configurations of the minima and transition states (TS), the formation of secondary structure and hydrophobic core during the folding process, the value of the pre-exponential factor and its relation to the transition path times, the relation between the autocorrelation times in TS and minima. We also present an investigation of the accuracy of the pre-exponential factor estimation based on the transition-path times. Four different estimations of the pre-exponential factor for both proteins give k 0 -1 values of approximately a few tens of nanoseconds. Our analysis gives detailed information about folding of the proteins and can serve as a rigorous common language for extensive comparison between experiment and simulation.

Elucidating the electron transport in semiconductors via Monte Carlo simulations: an inquiry-driven learning path for engineering undergraduates

NASA Astrophysics Data System (ADS)

Persano Adorno, Dominique; Pizzolato, Nicola; Fazio, Claudio

2015-09-01

Within the context of higher education for science or engineering undergraduates, we present an inquiry-driven learning path aimed at developing a more meaningful conceptual understanding of the electron dynamics in semiconductors in the presence of applied electric fields. The electron transport in a nondegenerate n-type indium phosphide bulk semiconductor is modelled using a multivalley Monte Carlo approach. The main characteristics of the electron dynamics are explored under different values of the driving electric field, lattice temperature and impurity density. Simulation results are presented by following a question-driven path of exploration, starting from the validation of the model and moving up to reasoned inquiries about the observed characteristics of electron dynamics. Our inquiry-driven learning path, based on numerical simulations, represents a viable example of how to integrate a traditional lecture-based teaching approach with effective learning strategies, providing science or engineering undergraduates with practical opportunities to enhance their comprehension of the physics governing the electron dynamics in semiconductors. Finally, we present a general discussion about the advantages and disadvantages of using an inquiry-based teaching approach within a learning environment based on semiconductor simulations.

Long-range open-path greenhouse gas monitoring using mid-infrared laser dispersion spectroscopy

NASA Astrophysics Data System (ADS)

Daghestani, Nart; Brownsword, Richard; Weidmann, Damien

2015-04-01

Accurate and sensitive methods of monitoring greenhouse gas (GHG) emission over large areas has become a pressing need to deliver improved estimates of both human-made and natural GHG budgets. These needs relate to a variety of sectors including environmental monitoring, energy, oil and gas industry, waste management, biogenic emission characterization, and leak detection. To address the needs, long-distance open-path laser spectroscopy methods offer significant advantages in terms of temporal resolution, sensitivity, compactness and cost effectiveness. Path-integrated mixing ratio measurements stemming from long open-path laser spectrometers can provide emission mapping when combined with meteorological data and/or through tomographic approaches. Laser absorption spectroscopy is the predominant method of detecting gasses over long integrated path lengths. The development of dispersion spectrometers measuring tiny refractive index changes, rather than optical power transmission, may offer a set of specific advantages1. These include greater immunity to laser power fluctuations, greater dynamic range due to the linearity of dispersion, and ideally a zero baseline signal easing quantitative retrievals of path integrated mixing ratios. Chirped laser dispersion spectrometers (CLaDS) developed for the monitoring of atmospheric methane and carbon dioxide will be presented. Using quantum cascade laser as the source, a minimalistic and compact system operating at 7.8 μm has been developed and demonstrated for the monitoring of atmospheric methane over a 90 meter open path2. Through full instrument modelling and error propagation analysis, precision of 3 ppm.m.Hz-0.5 has been established (one sigma precision for atmospheric methane normalized over a 1 m path and 1 s measurement duration). The system was fully functional in the rain, sleet, and moderate fog. The physical model and system concept of CLaDS can be adapted to any greenhouse gas species. Currently we are developing an in-lab instrument that can measure carbon dioxide using a quantum cascade laser operating in the 4 μm range. In this case, the dynamic range benefit of CLaDS is used to provide high precision even when peak absorbance in the CO2 spectrum gets greater than 2. Development for this deployable CO2 measurement system is still at an early stage. So far laboratory gas cell experiments have demonstrated a 9.3 ppm.m.Hz-0.5 for CO2 monitoring. This corresponds to about 0.02% relative precision in measuring CO2 atmospheric background over a 100 m open-path in one second. 1 G. Wysocki and D. Weidmann, "Molecular dispersion spectroscopy for chemical sensing using chirped mid-infrared quantum cascade laser," Opt. Express 18(25), 26123-26140 (2010). 2 N.S. Daghestani, R. Brownsword, D. Weidmann, 'Analysis and demonstration of atmospheric methane monitoring by mid-infrared open-path chirped dispersion spectroscopy' Opt. Express 22(25), A1731-A1743 (2014).

Development of a Radio Frequency Space Environment Path Emulator for Evaluating Spacecraft Ranging Hardware

NASA Technical Reports Server (NTRS)

Mitchell, Jason W.; Baldwin, Philip J.; Kurichh, Rishi; Naasz, Bo J.; Luquette, Richard J.

2007-01-01

The Formation Flying Testbed (FFTB) at the National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) provides a hardware-in-the-loop test environment for formation navigation and control. The facility is evolving as a modular, hybrid, dynamic simulation facility for end-to-end guidance, navigation and. control (GN&C) design and analysis of formation flying spacecraft. The core capabilities of the FFTB, as a platform for testing critical hardware and software algorithms in-the-loop, have expanded to include S-band Radio Frequency (RF) modems for inter-spacecraft communication and ranging. To enable realistic simulations that require RF ranging sensors for relative navigation, a mechanism is needed to buffer the RF signals exchanged between spacecraft that accurately emulates the dynamic environment through which the RF signals travel, including the effects of medium, moving platforms, and radiated power. The Path Emulator for RF Signals (PERFS), currently under development at NASA GSFC, provides this capability. The function and performance of a prototype device are presented.

Characterization of a Prototype Radio Frequency Space Environment Path Emulator for Evaluating Spacecraft Ranging Hardware

NASA Technical Reports Server (NTRS)

Mitchell, Jason W.; Baldwin, Philip J.; Kurichh, Rishi; Naasz, Bo J.; Luquette, Richard J.

2007-01-01

The Formation Flying Testbed (FFTB) at the National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) provides a hardware-in-the-loop test environment for formation navigation and control. The facility is evolving as a modular, hybrid, dynamic simulation facility for end-to-end guidance, navigation and control (GN&C) design and analysis of formation flying spacecraft. The core capabilities of the FFTB, as a platform for testing critical hardware and software algorithms in-the-loop, have expanded to include S-band Radio Frequency (RF) modems for interspacecraft communication and ranging. To enable realistic simulations that require RF ranging sensors for relative navigation, a mechanism is needed to buffer the RF signals exchanged between spacecraft that accurately emulates the dynamic environment through which the RF signals travel, including the effects of the medium, moving platforms, and radiated power. The Path Emulator for Radio Frequency Signals (PERFS), currently under development at NASA GSFC, provides this capability. The function and performance of a prototype device are presented.

Path optimisation of a mobile robot using an artificial neural network controller

NASA Astrophysics Data System (ADS)

Singh, M. K.; Parhi, D. R.

2011-01-01

This article proposed a novel approach for design of an intelligent controller for an autonomous mobile robot using a multilayer feed forward neural network, which enables the robot to navigate in a real world dynamic environment. The inputs to the proposed neural controller consist of left, right and front obstacle distance with respect to its position and target angle. The output of the neural network is steering angle. A four layer neural network has been designed to solve the path and time optimisation problem of mobile robots, which deals with the cognitive tasks such as learning, adaptation, generalisation and optimisation. A back propagation algorithm is used to train the network. This article also analyses the kinematic design of mobile robots for dynamic movements. The simulation results are compared with experimental results, which are satisfactory and show very good agreement. The training of the neural nets and the control performance analysis has been done in a real experimental setup.

Shock and Rarefaction Waves in a Heterogeneous Mantle

NASA Astrophysics Data System (ADS)

Jordan, J.; Hesse, M. A.

2012-12-01

We explore the effect of heterogeneities on partial melting and melt migration during active upwelling in the Earth's mantle. We have constructed simple, explicit nonlinear models in one dimension to examine heterogeneity and its dynamic affects on porosity, temperature and the magnesium number in a partially molten, porous medium comprised of olivine. The composition of the melt and solid are defined by a closed, binary phase diagram for a simplified, two-component olivine system. The two-component solid solution is represented by a phase loop where concentrations 0 and 1 to correspond to fayalite and forsterite, respectively. For analysis, we examine an advective system with a Riemann initial condition. Chromatographic tools and theory have primarily been used to track large, rare earth elements as tracers. In our case, we employ these theoretical tools to highlight the importance of the magnesium number, enthalpy and overall heterogeneity in the dynamics of melt migration. We calculate the eigenvectors and eigenvalues in the concentration-enthalpy space in order to glean the characteristics of the waves emerging the Riemann step. Analysis on Riemann problems of this nature shows us that the composition-enthalpy waves can be represented by self-similar solutions. The eigenvalues of the composition-enthalpy system represent the characteristic wave propagation speeds of the compositions and enthalpy through the domain. Furthermore, the corresponding eigenvectors are the directions of variation, or ``pathways," in concentration-enthalpy space that the characteristic waves follow. In the two-component system, the Riemann problem yields two waves connected by an intermediate concentration-enthalpy state determined by the intersections of the integral curves of the eigenvectors emanating from both the initial and boundary states. The first wave, ``slow path," and second wave, ``fast path," follow the aformentioned pathways set by the eigenvectors. The slow path wave has a zero eigenvalue, corresponding to a wave speed of zero, which preserves a residual imprint of the initial condition. Freezing fronts textemdash those that result in a negative change in porositytextemdash feature fast path waves that travel as shocks, whereas the fast path waves of melting fronts travel as spreading, rarefaction waves.

Theoretical investigation on the mechanism and dynamics of oxo exchange of neptunyl(VI) hydroxide in aqueous solution.

PubMed

Yang, Xia; Chai, Zhifang; Wang, Dongqi

2015-03-21

Four types of reaction mechanisms for the oxo ligand exchange of monomeric and dimeric neptunyl(VI) hydroxide in aqueous solution were explored computationally using density functional theory (DFT) and ab initio classical molecular dynamics. The obtained results were compared with previous studies on the oxo exchange of uranyl hydroxide, as well as with experiments. It is found that the stable T-shaped [NpO3(OH)3](3-) intermediate is a key species for oxo exchange in the proton transfer in mononuclear Path I and binuclear Path IV, similar to the case of uranyl(VI) hydroxide. Path I is thought to be the preferred oxo exchange mechanism for neptunyl(VI) hydroxide in our calculations, due to the lower activation energy (22.7 and 13.1 kcal mol(-1) for ΔG(‡) and ΔH(‡), respectively) of the overall reaction. Path II via a cis-neptunyl structure assisted by a water molecule might be a competitive channel against Path I with a mononuclear mechanism, owing to a rapid dynamical process occurring in Path II. In Path IV with the binuclear mechanism, oxo exchange is accomplished via the interaction between [NpO2(OH)4](2-) and T-shaped [NpO3(OH)3](3-) with a low activation energy for the rate-determining step, however, the overall energy required to fulfill the reaction is slightly higher than that in mononuclear Path I, suggesting a possible binuclear process in the higher energy region. The chemical bonding evolution along the reaction pathways was discussed by using topological methodologies of the electron localization function (ELF).

Effects of eHealth Literacy on General Practitioner Consultations: A Mediation Analysis.

PubMed

Schulz, Peter Johannes; Fitzpatrick, Mary Anne; Hess, Alexandra; Sudbury-Riley, Lynn; Hartung, Uwe

2017-05-16

Most evidence (not all) points in the direction that individuals with a higher level of health literacy will less frequently utilize the health care system than individuals with lower levels of health literacy. The underlying reasons of this effect are largely unclear, though people's ability to seek health information independently at the time of wide availability of such information on the Internet has been cited in this context. We propose and test two potential mediators of the negative effect of eHealth literacy on health care utilization: (1) health information seeking and (2) gain in empowerment by information seeking. Data were collected in New Zealand, the United Kingdom, and the United States using a Web-based survey administered by a company specialized on providing online panels. Combined, the three samples resulted in a total of 996 baby boomers born between 1946 and 1965 who had used the Internet to search for and share health information in the previous 6 months. Measured variables include eHealth literacy, Internet health information seeking, the self-perceived gain in empowerment by that information, and the number of consultations with one's general practitioner (GP). Path analysis was employed for data analysis. We found a bundle of indirect effect paths showing a positive relationship between health literacy and health care utilization: via health information seeking (Path 1), via gain in empowerment (Path 2), and via both (Path 3). In addition to the emergence of these indirect effects, the direct effect of health literacy on health care utilization disappeared. The indirect paths from health literacy via information seeking and empowerment to GP consultations can be interpreted as a dynamic process and an expression of the ability to find, process, and understand relevant information when that is necessary. ©Peter Johannes Schulz, Mary Anne Fitzpatrick, Alexandra Hess, Lynn Sudbury-Riley, Uwe Hartung. Originally published in the Journal of Medical Internet Research (http://www.jmir.org), 16.05.2017.

Dynamical Bifurcation in Gas-Phase XH- + CH3 Y SN 2 Reactions: The Role of Energy Flow and Redistribution in Avoiding the Minimum Energy Path.

PubMed

Proenza, Yaicel G; de Souza, Miguel A F; Longo, Ricardo L

2016-11-02

The gas-phase reactions of XH - (X=O, S) + CH 3 Y (Y=F, Cl, Br) span nearly the whole range of S N 2 pathways, and show an intrinsic reaction coordinate (IRC) (minimum energy path) with a deep well owing to the CH 3 XH⋅⋅⋅Y - (or CH 3 S - ⋅⋅⋅HF) hydrogen-bonded postreaction complex. MP2 quasiclassical-type direct dynamics starting at the [HX⋅⋅⋅CH 3 ⋅⋅⋅Y] - transition-state (TS) structure reveal distinct mechanistic behaviors. Trajectories that yield the separated CH 3 XH+Y - (or CH 3 S - +HF) products directly are non-IRC, whereas those that sample the CH 3 XH⋅⋅⋅Y - (or CH 3 S - ⋅⋅⋅HF) complex are IRC. The IRCIRC/non-IRC ratios of 90:10, 40:60, 25:75, 2:98, 0:100, and 0:100 are obtained for (X, Y)=(S, F), (O, F), (S, Cl), (S, Br), (O, Cl), and (O, Br), respectively. The properties of the energy profiles after the TS cannot provide a rationalization of these results. Analysis of the energy flow in dynamics shows that the trajectories cross a dynamical bifurcation, and that the inability to follow the minimum energy path arises from long vibration periods of the X-C⋅⋅⋅Y bending mode. The partition of the available energy to the products into vibrational, rotational, and translational energies reveals that if the vibrational contribution is more than 80 %, non-IRC behavior dominates, unless the relative fraction of the rotational and translational components is similar, in which case a richer dynamical mechanism is shown, with an IRC/non-IRC ratio that correlates to this relative fraction. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The temporal variation of SO2 emissions embodied in Chinese supply chains, 2002-2012.

PubMed

Yang, Xue; Zhang, Wenzhong; Fan, Jie; Li, Jiaming; Meng, Jing

2018-05-24

Whilst attention is increasingly being focused on embodied pollutant emissions along supply chains in China, relatively little attention has been paid to dynamic changes in this process. This study utilized environmental extended input-output analysis (EEIOA) and structural path analysis (SPA) to investigate the dynamic variation of the SO 2 emissions embodied in 28 economic sectors in Chinese supply chains during 2002-2012. The main conclusions are summarized as follows: (1) The dominant SO 2 emission sectors differed under production and consumption perspectives. Electricity and heat production dominated SO 2 emissions from the point of view of production, while construction contributed most from the consumption perspective. (2) The embodied SO 2 emissions tended to change from the path (staring from consumption side to production side): "Services→Services→Power" in 2002 to the path: "Construction and Manufacturing→Metal and Nonmetal→Power" in 2012. (3) Metal-driven emissions raised dramatically from 15% in 2002 to 22% in 2012, due to increasing demand for metal products in construction and manufacturing activities. (4) Power generation was found to result in the greatest volume of production-based emissions, a burden it tended to transfer to upstream sectors in 2012. Controlling construction activities and cutting down end-of-pipe discharges in the process of power generation represent the most radical interventions in reducing Chinese SO 2 emissions. This study shed light on changes in SO 2 emissions in the supply chain, providing a range of policy implications from both production and consumption perspectives. Copyright © 2018 Elsevier Ltd. All rights reserved.

Adaptive Dynamics, Control, and Extinction in Networked Populations

DTIC Science & Technology

2015-07-09

network geometries. From the pre-history of paths that go extinct, a density function is created from the prehistory of these paths, and a clear local...density plots of Fig. 3b. Using the IAMM to compute the most probable path and comparing it to the prehistory of extinction events on stochastic networks

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory

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

Marsalek, Ondrej; Markland, Thomas E., E-mail: tmarkland@stanford.edu

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding asmore » a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.« less

Transition paths of Met-enkephalin from Markov state modeling of a molecular dynamics trajectory.

PubMed

Banerjee, Rahul; Cukier, Robert I

2014-03-20

Conformational states and their interconversion pathways of the zwitterionic form of the pentapeptide Met-enkephalin (MetEnk) are identified. An explicit solvent molecular dynamics (MD) trajectory is used to construct a Markov state model (MSM) based on dihedral space clustering of the trajectory, and transition path theory (TPT) is applied to identify pathways between open and closed conformers. In the MD trajectory, only four of the eight backbone dihedrals exhibit bistable behavior. Defining a conformer as the string XXXX with X = "+" or "-" denoting, respectively, positive or negative values of a given dihedral angle and obtaining the populations of these conformers shows that only four conformers are highly populated, implying a strong correlation among these dihedrals. Clustering in dihedral space to construct the MSM finds the same four bistable dihedral angles. These state populations are very similar to those found directly from the MD trajectory. TPT is used to obtain pathways, parametrized by committor values, in dihedral state space that are followed in transitioning from closed to open states. Pathway costs are estimated by introducing a kinetics-based procedure that orders pathways from least (shortest) to greater cost paths. The least costly pathways in dihedral space are found to only involve the same XXXX set of dihedral angles, and the conformers accessed in the closed to open transition pathways are identified. For these major pathways, a correlation between reaction path progress (committors) and the end-to-end distance is identified. A dihedral space principal component analysis of the MD trajectory shows that the first three modes capture most of the overall fluctuation, and pick out the same four dihedrals having essentially all the weight in those modes. A MSM based on root-mean-square backbone clustering was also carried out, with good agreement found with dihedral clustering for the static information, but with results that differ significantly for the pathway analysis.

Modeling and observations of an elevated, moving infrasonic source: Eigenray methods.

PubMed

Blom, Philip; Waxler, Roger

2017-04-01

The acoustic ray tracing relations are extended by the inclusion of auxiliary parameters describing variations in the spatial ray coordinates and eikonal vector due to changes in the initial conditions. Computation of these parameters allows one to define the geometric spreading factor along individual ray paths and assists in identification of caustic surfaces so that phase shifts can be easily identified. A method is developed leveraging the auxiliary parameters to identify propagation paths connecting specific source-receiver geometries, termed eigenrays. The newly introduced method is found to be highly efficient in cases where propagation is non-planar due to horizontal variations in the propagation medium or the presence of cross winds. The eigenray method is utilized in analysis of infrasonic signals produced by a multi-stage sounding rocket launch with promising results for applications of tracking aeroacoustic sources in the atmosphere and specifically to analysis of motor performance during dynamic tests.

Exploring the Dynamics of Transit Times and Subsurface Mixing in a Small Agricultural Catchment

NASA Astrophysics Data System (ADS)

Yang, Jie; Heidbüchel, Ingo; Musolff, Andreas; Reinstorf, Frido; Fleckenstein, Jan H.

2018-03-01

The analysis of transit/residence time distributions (TTDs and RTDs) provides important insights into the dynamics of stream-water ages and subsurface mixing. These insights have significant implications for water quality. For a small agricultural catchment in central Germany, we use a 3D fully coupled surface-subsurface hydrological model to simulate water flow and perform particle tracking to determine flow paths and transit times. The TTDs of discharge, RTDs of storage and fractional StorAge Selection (fSAS) functions are computed and analyzed on daily basis for a period of 10 years. Results show strong seasonal fluctuations of the median transit time of discharge and the median residence time, with the former being strongly related to the catchment wetness. Computed fSAS functions suggest systematic shifts of the discharge selection preference over four main periods: In the wet period, the youngest water in storage is preferentially selected, and this preference shifts gradually toward older ages of stored water when the catchment transitions into the drying, dry and wetting periods. These changes are driven by distinct shifts in the dominance of deeper flow paths and fast shallow flow paths. Changes in the shape of the fSAS functions can be captured by changes in the two parameters of the approximating Beta distributions, allowing the generation of continuous fSAS functions representing the general catchment behavior. These results improve our understanding of the seasonal dynamics of TTDs and fSAS functions for a complex real-world catchment and are important for interpreting solute export to the stream in a spatially implicit manner.

Regional aeolian dynamics and sand mixing in the Gran Desierto - Evidence from Landsat Thematic Mapper images

NASA Technical Reports Server (NTRS)

Blount, Grady; Greeley, Ronald; Christensen, Phillip R.; Smith, Milton O.; Adams, John B.

1990-01-01

Mesoscale mapping of spatial variations in sand composition of the Gran Desierto (Sonora, Mexico) was carried out on multispectral Landsat TM images of this region, making it possible to examine the dynamic development of sand sheets and dunes. Compositions determined from remote imagery were found to agree well with samples from selected areas. The sand populations delineated were used to describe the sediment source areas, transport paths, and deposition sites. The image analysis revealed important compositional variations aver large areas that were not readily apparent in the field data.

FAST - A multiprocessed environment for visualization of computational fluid dynamics

NASA Technical Reports Server (NTRS)

Bancroft, Gordon V.; Merritt, Fergus J.; Plessel, Todd C.; Kelaita, Paul G.; Mccabe, R. Kevin

1991-01-01

The paper presents the Flow Analysis Software Toolset (FAST) to be used for fluid-mechanics analysis. The design criteria for FAST including the minimization of the data path in the computational fluid-dynamics (CFD) process, consistent user interface, extensible software architecture, modularization, and the isolation of three-dimensional tasks from the application programmer are outlined. Each separate process communicates through the FAST Hub, while other modules such as FAST Central, NAS file input, CFD calculator, surface extractor and renderer, titler, tracer, and isolev might work together to generate the scene. An interprocess communication package making it possible for FAST to operate as a modular environment where resources could be shared among different machines as well as a single host is discussed.

Investigation of stickiness influence in the anomalous transport and diffusion for a non-dissipative Fermi-Ulam model

NASA Astrophysics Data System (ADS)

Livorati, André L. P.; Palmero, Matheus S.; Díaz-I, Gabriel; Dettmann, Carl P.; Caldas, Iberê L.; Leonel, Edson D.

2018-02-01

We study the dynamics of an ensemble of non interacting particles constrained by two infinitely heavy walls, where one of them is moving periodically in time, while the other is fixed. The system presents mixed dynamics, where the accessible region for the particle to diffuse chaotically is bordered by an invariant spanning curve. Statistical analysis for the root mean square velocity, considering high and low velocity ensembles, leads the dynamics to the same steady state plateau for long times. A transport investigation of the dynamics via escape basins reveals that depending of the initial velocity ensemble, the decay rates of the survival probability present different shapes and bumps, in a mix of exponential, power law and stretched exponential decays. After an analysis of step-size averages, we found that the stable manifolds play the role of a preferential path for faster escape, being responsible for the bumps and different shapes of the survival probability.

Three-Dimensional Path Planning for Uninhabited Combat Aerial Vehicle Based on Predator-Prey Pigeon-Inspired Optimization in Dynamic Environment.

PubMed

Zhang, Bo; Duan, Haibin

2017-01-01

Three-dimension path planning of uninhabited combat aerial vehicle (UCAV) is a complicated optimal problem, which mainly focused on optimizing the flight route considering the different types of constrains under complex combating environment. A novel predator-prey pigeon-inspired optimization (PPPIO) is proposed to solve the UCAV three-dimension path planning problem in dynamic environment. Pigeon-inspired optimization (PIO) is a new bio-inspired optimization algorithm. In this algorithm, map and compass operator model and landmark operator model are used to search the best result of a function. The prey-predator concept is adopted to improve global best properties and enhance the convergence speed. The characteristics of the optimal path are presented in the form of a cost function. The comparative simulation results show that our proposed PPPIO algorithm is more efficient than the basic PIO, particle swarm optimization (PSO), and different evolution (DE) in solving UCAV three-dimensional path planning problems.

Can investor sentiment be used to predict the stock price? Dynamic analysis based on China stock market

NASA Astrophysics Data System (ADS)

Guo, Kun; Sun, Yi; Qian, Xin

2017-03-01

With the development of the social network, the interaction between investors in stock market became more fast and convenient. Thus, investor sentiment which can influence their investment decisions may be quickly spread and magnified through the network, and to a certain extent the stock market can be affected. This paper collected the user comments data from a popular professional social networking site of China stock market called Xueqiu, then the investor sentiment data can be obtained through semantic analysis. The dynamic analysis on relationship between investor sentiment and stock market is proposed based on Thermal Optimal Path (TOP) method. The results show that the sentiment data was not always leading over stock market price, and it can be used to predict the stock price only when the stock has high investor attention.

Optimization of MLS receivers for multipath environments

NASA Technical Reports Server (NTRS)

Mcalpine, G. A.; Irwin, S. H.; NELSON; Roleyni, G.

1977-01-01

Optimal design studies of MLS angle-receivers and a theoretical design-study of MLS DME-receivers are reported. The angle-receiver results include an integration of the scan data processor and tracking filter components of the optimal receiver into a unified structure. An extensive simulation study comparing the performance of the optimal and threshold receivers in a wide variety of representative dynamical interference environments was made. The optimal receiver was generally superior. A simulation of the performance of the threshold and delay-and-compare receivers in various signal environments was performed. An analysis of combined errors due to lateral reflections from vertical structures with small differential path delays, specular ground reflections with neglible differential path delays, and thermal noise in the receivers is provided.

Dynamic compression of copper to over 450 GPa: A high-pressure standard

DOE PAGES

Kraus, R. G.; Davis, J. -P.; Seagle, C. T.; ...

2016-04-12

We obtained an absolute stress-density path for shocklessly compressed copper to over 450 GPa. A magnetic pressure drive is temporally tailored to generate shockless compression waves through over 2.5-mm-thick copper samples. Furthermore, the free-surface velocity data is analyzed for Lagrangian sound velocity using the iterative Lagrangian analysis (ILA) technique, which relies upon the method of characteristics. We correct for the effects of strength and plastic work heating to determine an isentropic compression path. By assuming a Debye model for the heat capacity, we can further correct the isentrope to an isotherm. Finally, our determination of the isentrope and isotherm ofmore » copper represents a highly accurate pressure standard for copper to over 450 GPa.« less

Dynamic phase transitions of the Blume-Emery-Griffiths model under an oscillating external magnetic field by the path probability method

NASA Astrophysics Data System (ADS)

Ertaş, Mehmet; Keskin, Mustafa

2015-03-01

By using the path probability method (PPM) with point distribution, we study the dynamic phase transitions (DPTs) in the Blume-Emery-Griffiths (BEG) model under an oscillating external magnetic field. The phases in the model are obtained by solving the dynamic equations for the average order parameters and a disordered phase, ordered phase and four mixed phases are found. We also investigate the thermal behavior of the dynamic order parameters to analyze the nature dynamic transitions as well as to obtain the DPT temperatures. The dynamic phase diagrams are presented in three different planes in which exhibit the dynamic tricritical point, double critical end point, critical end point, quadrupole point, triple point as well as the reentrant behavior, strongly depending on the values of the system parameters. We compare and discuss the dynamic phase diagrams with dynamic phase diagrams that were obtained within the Glauber-type stochastic dynamics based on the mean-field theory.

Path planning of decentralized multi-quadrotor based on fuzzy-cell decomposition algorithm

NASA Astrophysics Data System (ADS)

Iswanto, Wahyunggoro, Oyas; Cahyadi, Adha Imam

2017-04-01

The paper aims to present a design algorithm for multi quadrotor lanes in order to move towards the goal quickly and avoid obstacles in an area with obstacles. There are several problems in path planning including how to get to the goal position quickly and avoid static and dynamic obstacles. To overcome the problem, therefore, the paper presents fuzzy logic algorithm and fuzzy cell decomposition algorithm. Fuzzy logic algorithm is one of the artificial intelligence algorithms which can be applied to robot path planning that is able to detect static and dynamic obstacles. Cell decomposition algorithm is an algorithm of graph theory used to make a robot path map. By using the two algorithms the robot is able to get to the goal position and avoid obstacles but it takes a considerable time because they are able to find the shortest path. Therefore, this paper describes a modification of the algorithms by adding a potential field algorithm used to provide weight values on the map applied for each quadrotor by using decentralized controlled, so that the quadrotor is able to move to the goal position quickly by finding the shortest path. The simulations conducted have shown that multi-quadrotor can avoid various obstacles and find the shortest path by using the proposed algorithms.

Development of a helicopter rotor/propulsion system dynamics analysis

NASA Technical Reports Server (NTRS)

Warmbrodt, W.; Hull, R.

1982-01-01

A time-domain analysis of coupled engine/drive train/rotor dynamics of a twin-engine, single main rotor helicopter model has been performed. The analysis incorporates an existing helicopter model with nonlinear simulations of a helicopter turboshaft engine and its fuel controller. System dynamic behavior is studied using the resulting simulation which included representations for the two engines and their fuel controllers, drive system, main rotor, tail rotor, and aircraft rigid body motions. Time histories of engine and rotor RPM response to pilot control inputs are studied for a baseline rotor and propulsion system model. Sensitivity of rotor RPM droop to fuel controller gain changes and collective input feed-forward gain changes are studied. Torque-load-sharing between the two engines is investigated by making changes in the fuel controller feedback paths. A linear engine model is derived from the nonlinear engine simulation and used in the coupled system analysis. This four-state linear engine model is then reduced to a three-state model. The effect of this simplification on coupled system behavior is shown.

Multiagent Flight Control in Dynamic Environments with Cooperative Coevolutionary Algorithms

NASA Technical Reports Server (NTRS)

Knudson, Matthew D.; Colby, Mitchell; Tumer, Kagan

2014-01-01

Dynamic flight environments in which objectives and environmental features change with respect to time pose a difficult problem with regards to planning optimal flight paths. Path planning methods are typically computationally expensive, and are often difficult to implement in real time if system objectives are changed. This computational problem is compounded when multiple agents are present in the system, as the state and action space grows exponentially. In this work, we use cooperative coevolutionary algorithms in order to develop policies which control agent motion in a dynamic multiagent unmanned aerial system environment such that goals and perceptions change, while ensuring safety constraints are not violated. Rather than replanning new paths when the environment changes, we develop a policy which can map the new environmental features to a trajectory for the agent while ensuring safe and reliable operation, while providing 92% of the theoretically optimal performance

Multiagent Flight Control in Dynamic Environments with Cooperative Coevolutionary Algorithms

NASA Technical Reports Server (NTRS)

Colby, Mitchell; Knudson, Matthew D.; Tumer, Kagan

2014-01-01

Dynamic environments in which objectives and environmental features change with respect to time pose a difficult problem with regards to planning optimal paths through these environments. Path planning methods are typically computationally expensive, and are often difficult to implement in real time if system objectives are changed. This computational problem is compounded when multiple agents are present in the system, as the state and action space grows exponentially with the number of agents in the system. In this work, we use cooperative coevolutionary algorithms in order to develop policies which control agent motion in a dynamic multiagent unmanned aerial system environment such that goals and perceptions change, while ensuring safety constraints are not violated. Rather than replanning new paths when the environment changes, we develop a policy which can map the new environmental features to a trajectory for the agent while ensuring safe and reliable operation, while providing 92% of the theoretically optimal performance.

Real-time path planning in dynamic virtual environments using multiagent navigation graphs.

PubMed

Sud, Avneesh; Andersen, Erik; Curtis, Sean; Lin, Ming C; Manocha, Dinesh

2008-01-01

We present a novel approach for efficient path planning and navigation of multiple virtual agents in complex dynamic scenes. We introduce a new data structure, Multi-agent Navigation Graph (MaNG), which is constructed using first- and second-order Voronoi diagrams. The MaNG is used to perform route planning and proximity computations for each agent in real time. Moreover, we use the path information and proximity relationships for local dynamics computation of each agent by extending a social force model [Helbing05]. We compute the MaNG using graphics hardware and present culling techniques to accelerate the computation. We also address undersampling issues and present techniques to improve the accuracy of our algorithm. Our algorithm is used for real-time multi-agent planning in pursuit-evasion, terrain exploration and crowd simulation scenarios consisting of hundreds of moving agents, each with a distinct goal.

Querying databases of trajectories of differential equations: Data structures for trajectories

NASA Technical Reports Server (NTRS)

Grossman, Robert

1989-01-01

One approach to qualitative reasoning about dynamical systems is to extract qualitative information by searching or making queries on databases containing very large numbers of trajectories. The efficiency of such queries depends crucially upon finding an appropriate data structure for trajectories of dynamical systems. Suppose that a large number of parameterized trajectories gamma of a dynamical system evolving in R sup N are stored in a database. Let Eta is contained in set R sup N denote a parameterized path in Euclidean Space, and let the Euclidean Norm denote a norm on the space of paths. A data structure is defined to represent trajectories of dynamical systems, and an algorithm is sketched which answers queries.

Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.

PubMed

Kessler, Jan; Elgabarty, Hossam; Spura, Thomas; Karhan, Kristof; Partovi-Azar, Pouya; Hassanali, Ali A; Kühne, Thomas D

2015-08-06

The structure and dynamics of the water/vapor interface is revisited by means of path-integral and second-generation Car-Parrinello ab initio molecular dynamics simulations in conjunction with an instantaneous surface definition [Willard, A. P.; Chandler, D. J. Phys. Chem. B 2010, 114, 1954]. In agreement with previous studies, we find that one of the OH bonds of the water molecules in the topmost layer is pointing out of the water into the vapor phase, while the orientation of the underlying layer is reversed. Therebetween, an additional water layer is detected, where the molecules are aligned parallel to the instantaneous water surface.

A Probabilistic Framework for Constructing Temporal Relations in Replica Exchange Molecular Trajectories.

PubMed

Chattopadhyay, Aditya; Zheng, Min; Waller, Mark Paul; Priyakumar, U Deva

2018-05-23

Knowledge of the structure and dynamics of biomolecules is essential for elucidating the underlying mechanisms of biological processes. Given the stochastic nature of many biological processes, like protein unfolding, it's almost impossible that two independent simulations will generate the exact same sequence of events, which makes direct analysis of simulations difficult. Statistical models like Markov Chains, transition networks etc. help in shedding some light on the mechanistic nature of such processes by predicting long-time dynamics of these systems from short simulations. However, such methods fall short in analyzing trajectories with partial or no temporal information, for example, replica exchange molecular dynamics or Monte Carlo simulations. In this work we propose a probabilistic algorithm, borrowing concepts from graph theory and machine learning, to extract reactive pathways from molecular trajectories in the absence of temporal data. A suitable vector representation was chosen to represent each frame in the macromolecular trajectory (as a series of interaction and conformational energies) and dimensionality reduction was performed using principal component analysis (PCA). The trajectory was then clustered using a density-based clustering algorithm, where each cluster represents a metastable state on the potential energy surface (PES) of the biomolecule under study. A graph was created with these clusters as nodes with the edges learnt using an iterative expectation maximization algorithm. The most reactive path is conceived as the widest path along this graph. We have tested our method on RNA hairpin unfolding trajectory in aqueous urea solution. Our method makes the understanding of the mechanism of unfolding in RNA hairpin molecule more tractable. As this method doesn't rely on temporal data it can be used to analyze trajectories from Monte Carlo sampling techniques and replica exchange molecular dynamics (REMD).

Long-time Dynamics of Stochastic Wave Breaking

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Adaptive integral dynamic surface control of a hypersonic flight vehicle

NASA Astrophysics Data System (ADS)

Aslam Butt, Waseem; Yan, Lin; Amezquita S., Kendrick

2015-07-01

In this article, non-linear adaptive dynamic surface air speed and flight path angle control designs are presented for the longitudinal dynamics of a flexible hypersonic flight vehicle. The tracking performance of the control design is enhanced by introducing a novel integral term that caters to avoiding a large initial control signal. To ensure feasibility, the design scheme incorporates magnitude and rate constraints on the actuator commands. The uncertain non-linear functions are approximated by an efficient use of the neural networks to reduce the computational load. A detailed stability analysis shows that all closed-loop signals are uniformly ultimately bounded and the ? tracking performance is guaranteed. The robustness of the design scheme is verified through numerical simulations of the flexible flight vehicle model.

Development of modular control software for construction 3D-printer

NASA Astrophysics Data System (ADS)

Bazhanov, A.; Yudin, D.; Porkhalo, V.

2018-03-01

This article discusses the approach to developing modular software for real-time control of an industrial construction 3D printer. The proposed structure of a two-level software solution is implemented for a robotic system that moves in a Cartesian coordinate system with multi-axis interpolation. An algorithm for the formation and analysis of a path is considered to enable the most effective control of printing through dynamic programming.

Automated vehicle guidance using discrete reference markers. [road surface steering techniques

NASA Technical Reports Server (NTRS)

Johnston, A. R.; Assefi, T.; Lai, J. Y.

1979-01-01

Techniques for providing steering control for an automated vehicle using discrete reference markers fixed to the road surface are investigated analytically. Either optical or magnetic approaches can be used for the sensor, which generates a measurement of the lateral offset of the vehicle path at each marker to form the basic data for steering control. Possible mechanizations of sensor and controller are outlined. Techniques for handling certain anomalous conditions, such as a missing marker, or loss of acquisition, and special maneuvers, such as u-turns and switching, are briefly discussed. A general analysis of the vehicle dynamics and the discrete control system is presented using the state variable formulation. Noise in both the sensor measurement and in the steering servo are accounted for. An optimal controller is simulated on a general purpose computer, and the resulting plots of vehicle path are presented. Parameters representing a small multipassenger tram were selected, and the simulation runs show response to an erroneous sensor measurement and acquisition following large initial path errors.

Identification of the feedforward component in manual control with predictable target signals.

PubMed

Drop, Frank M; Pool, Daan M; Damveld, Herman J; van Paassen, Marinus M; Mulder, Max

2013-12-01

In the manual control of a dynamic system, the human controller (HC) often follows a visible and predictable reference path. Compared with a purely feedback control strategy, performance can be improved by making use of this knowledge of the reference. The operator could effectively introduce feedforward control in conjunction with a feedback path to compensate for errors, as hypothesized in literature. However, feedforward behavior has never been identified from experimental data, nor have the hypothesized models been validated. This paper investigates human control behavior in pursuit tracking of a predictable reference signal while being perturbed by a quasi-random multisine disturbance signal. An experiment was done in which the relative strength of the target and disturbance signals were systematically varied. The anticipated changes in control behavior were studied by means of an ARX model analysis and by fitting three parametric HC models: two different feedback models and a combined feedforward and feedback model. The ARX analysis shows that the experiment participants employed control action on both the error and the target signal. The control action on the target was similar to the inverse of the system dynamics. Model fits show that this behavior can be modeled best by the combined feedforward and feedback model.

Natural extension of fast-slow decomposition for dynamical systems

NASA Astrophysics Data System (ADS)

Rubin, J. E.; Krauskopf, B.; Osinga, H. M.

2018-01-01

Modeling and parameter estimation to capture the dynamics of physical systems are often challenging because many parameters can range over orders of magnitude and are difficult to measure experimentally. Moreover, selecting a suitable model complexity requires a sufficient understanding of the model's potential use, such as highlighting essential mechanisms underlying qualitative behavior or precisely quantifying realistic dynamics. We present an approach that can guide model development and tuning to achieve desired qualitative and quantitative solution properties. It relies on the presence of disparate time scales and employs techniques of separating the dynamics of fast and slow variables, which are well known in the analysis of qualitative solution features. We build on these methods to show how it is also possible to obtain quantitative solution features by imposing designed dynamics for the slow variables in the form of specified two-dimensional paths in a bifurcation-parameter landscape.

Scale-invariant entropy-based theory for dynamic ordering

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

Mahulikar, Shripad P., E-mail: spm@iitmandi.ac.in, E-mail: spm@aero.iitb.ac.in; Department of Aerospace Engineering, Indian Institute of Technology Bombay, Mumbai 400076; Kumari, Priti

2014-09-01

Dynamically Ordered self-organized dissipative structure exists in various forms and at different scales. This investigation first introduces the concept of an isolated embedding system, which embeds an open system, e.g., dissipative structure and its mass and/or energy exchange with its surroundings. Thereafter, scale-invariant theoretical analysis is presented using thermodynamic principles for Order creation, existence, and destruction. The sustainability criterion for Order existence based on its structured mass and/or energy interactions with the surroundings is mathematically defined. This criterion forms the basis for the interrelationship of physical parameters during sustained existence of dynamic Order. It is shown that the sufficient conditionmore » for dynamic Order existence is approached if its sustainability criterion is met, i.e., its destruction path is blocked. This scale-invariant approach has the potential to unify the physical understanding of universal dynamic ordering based on entropy considerations.« less

[Causal analysis approaches in epidemiology].

PubMed

Dumas, O; Siroux, V; Le Moual, N; Varraso, R

2014-02-01

Epidemiological research is mostly based on observational studies. Whether such studies can provide evidence of causation remains discussed. Several causal analysis methods have been developed in epidemiology. This paper aims at presenting an overview of these methods: graphical models, path analysis and its extensions, and models based on the counterfactual approach, with a special emphasis on marginal structural models. Graphical approaches have been developed to allow synthetic representations of supposed causal relationships in a given problem. They serve as qualitative support in the study of causal relationships. The sufficient-component cause model has been developed to deal with the issue of multicausality raised by the emergence of chronic multifactorial diseases. Directed acyclic graphs are mostly used as a visual tool to identify possible confounding sources in a study. Structural equations models, the main extension of path analysis, combine a system of equations and a path diagram, representing a set of possible causal relationships. They allow quantifying direct and indirect effects in a general model in which several relationships can be tested simultaneously. Dynamic path analysis further takes into account the role of time. The counterfactual approach defines causality by comparing the observed event and the counterfactual event (the event that would have been observed if, contrary to the fact, the subject had received a different exposure than the one he actually received). This theoretical approach has shown limits of traditional methods to address some causality questions. In particular, in longitudinal studies, when there is time-varying confounding, classical methods (regressions) may be biased. Marginal structural models have been developed to address this issue. In conclusion, "causal models", though they were developed partly independently, are based on equivalent logical foundations. A crucial step in the application of these models is the formulation of causal hypotheses, which will be a basis for all methodological choices. Beyond this step, statistical analysis tools recently developed offer new possibilities to delineate complex relationships, in particular in life course epidemiology. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

A variational dynamic programming approach to robot-path planning with a distance-safety criterion

NASA Technical Reports Server (NTRS)

Suh, Suk-Hwan; Shin, Kang G.

1988-01-01

An approach to robot-path planning is developed by considering both the traveling distance and the safety of the robot. A computationally-efficient algorithm is developed to find a near-optimal path with a weighted distance-safety criterion by using a variational calculus and dynamic programming (VCDP) method. The algorithm is readily applicable to any factory environment by representing the free workspace as channels. A method for deriving these channels is also proposed. Although it is developed mainly for two-dimensional problems, this method can be easily extended to a class of three-dimensional problems. Numerical examples are presented to demonstrate the utility and power of this method.

Ancient village fire escape path planning based on improved ant colony algorithm

NASA Astrophysics Data System (ADS)

Xia, Wei; Cao, Kang; Hu, QianChuan

2017-06-01

The roadways are narrow and perplexing in ancient villages, it brings challenges and difficulties for people to choose route to escape when a fire occurs. In this paper, a fire escape path planning method based on ant colony algorithm is presented according to the problem. The factors in the fire environment which influence the escape speed is introduced to improve the heuristic function of the algorithm, optimal transfer strategy, and adjustment pheromone volatile factor to improve pheromone update strategy adaptively, improve its dynamic search ability and search speed. Through simulation, the dynamic adjustment of the optimal escape path is obtained, and the method is proved to be feasible.

An engineering optimization method with application to STOL-aircraft approach and landing trajectories

NASA Technical Reports Server (NTRS)

Jacob, H. G.

1972-01-01

An optimization method has been developed that computes the optimal open loop inputs for a dynamical system by observing only its output. The method reduces to static optimization by expressing the inputs as series of functions with parameters to be optimized. Since the method is not concerned with the details of the dynamical system to be optimized, it works for both linear and nonlinear systems. The method and the application to optimizing longitudinal landing paths for a STOL aircraft with an augmented wing are discussed. Noise, fuel, time, and path deviation minimizations are considered with and without angle of attack, acceleration excursion, flight path, endpoint, and other constraints.

Detecting eye movements in dynamic environments.

PubMed

Reimer, Bryan; Sodhi, Manbir

2006-11-01

To take advantage of the increasing number of in-vehicle devices, automobile drivers must divide their attention between primary (driving) and secondary (operating in-vehicle device) tasks. In dynamic environments such as driving, however, it is not easy to identify and quantify how a driver focuses on the various tasks he/she is simultaneously engaged in, including the distracting tasks. Measures derived from the driver's scan path have been used as correlates of driver attention. This article presents a methodology for analyzing eye positions, which are discrete samples of a subject's scan path, in order to categorize driver eye movements. Previous methods of analyzing eye positions recorded in a dynamic environment have relied completely on the manual identification of the focus of visual attention from a point of regard superimposed on a video of a recorded scene, failing to utilize information regarding movement structure in the raw recorded eye positions. Although effective, these methods are too time consuming to be easily used when the large data sets that would be required to identify subtle differences between drivers, under different road conditions, and with different levels of distraction are processed. The aim of the methods presented in this article are to extend the degree of automation in the processing of eye movement data by proposing a methodology for eye movement analysis that extends automated fixation identification to include smooth and saccadic movements. By identifying eye movements in the recorded eye positions, a method of reducing the analysis of scene video to a finite search space is presented. The implementation of a software tool for the eye movement analysis is described, including an example from an on-road test-driving sample.

Path selection rules for droplet trains in single-lane microfluidic networks

NASA Astrophysics Data System (ADS)

Amon, A.; Schmit, A.; Salkin, L.; Courbin, L.; Panizza, P.

2013-07-01

We investigate the transport of periodic trains of droplets through microfluidic networks having one inlet, one outlet, and nodes consisting of T junctions. Variations of the dilution of the trains, i.e., the distance between drops, reveal the existence of various hydrodynamic regimes characterized by the number of preferential paths taken by the drops. As the dilution increases, this number continuously decreases until only one path remains explored. Building on a continuous approach used to treat droplet traffic through a single asymmetric loop, we determine selection rules for the paths taken by the drops and we predict the variations of the fraction of droplets taking these paths with the parameters at play including the dilution. Our results show that as dilution decreases, the paths are selected according to the ascending order of their hydrodynamic resistance in the absence of droplets. The dynamics of these systems controlled by time-delayed feedback is complex: We observe a succession of periodic regimes separated by a wealth of bifurcations as the dilution is varied. In contrast to droplet traffic in single asymmetric loops, the dynamical behavior in networks of loops is sensitive to initial conditions because of extra degrees of freedom.

Stereo Image Dense Matching by Integrating Sift and Sgm Algorithm

NASA Astrophysics Data System (ADS)

Zhou, Y.; Song, Y.; Lu, J.

2018-05-01

Semi-global matching(SGM) performs the dynamic programming by treating the different path directions equally. It does not consider the impact of different path directions on cost aggregation, and with the expansion of the disparity search range, the accuracy and efficiency of the algorithm drastically decrease. This paper presents a dense matching algorithm by integrating SIFT and SGM. It takes the successful matching pairs matched by SIFT as control points to direct the path in dynamic programming with truncating error propagation. Besides, matching accuracy can be improved by using the gradient direction of the detected feature points to modify the weights of the paths in different directions. The experimental results based on Middlebury stereo data sets and CE-3 lunar data sets demonstrate that the proposed algorithm can effectively cut off the error propagation, reduce disparity search range and improve matching accuracy.

The Study of Intelligent Vehicle Navigation Path Based on Behavior Coordination of Particle Swarm.

PubMed

Han, Gaining; Fu, Weiping; Wang, Wen

2016-01-01

In the behavior dynamics model, behavior competition leads to the shock problem of the intelligent vehicle navigation path, because of the simultaneous occurrence of the time-variant target behavior and obstacle avoidance behavior. Considering the safety and real-time of intelligent vehicle, the particle swarm optimization (PSO) algorithm is proposed to solve these problems for the optimization of weight coefficients of the heading angle and the path velocity. Firstly, according to the behavior dynamics model, the fitness function is defined concerning the intelligent vehicle driving characteristics, the distance between intelligent vehicle and obstacle, and distance of intelligent vehicle and target. Secondly, behavior coordination parameters that minimize the fitness function are obtained by particle swarm optimization algorithms. Finally, the simulation results show that the optimization method and its fitness function can improve the perturbations of the vehicle planning path and real-time and reliability.

Current-Sensitive Path Planning for an Underactuated Free-Floating Ocean Sensorweb

NASA Technical Reports Server (NTRS)

Dahl, Kristen P.; Thompson, David R.; McLaren, David; Chao, Yi; Chien, Steve

2011-01-01

This work investigates multi-agent path planning in strong, dynamic currents using thousands of highly under-actuated vehicles. We address the specific task of path planning for a global network of ocean-observing floats. These submersibles are typified by the Argo global network consisting of over 3000 sensor platforms. They can control their buoyancy to float at depth for data collection or rise to the surface for satellite communications. Currently, floats drift at a constant depth regardless of the local currents. However, accurate current forecasts have become available which present the possibility of intentionally controlling floats' motion by dynamically commanding them to linger at different depths. This project explores the use of these current predictions to direct float networks to some desired final formation or position. It presents multiple algorithms for such path optimization and demonstrates their advantage over the standard approach of constant-depth drifting.

Pseudo paths towards minimum energy states in network dynamics

NASA Astrophysics Data System (ADS)

Hedayatifar, L.; Hassanibesheli, F.; Shirazi, A. H.; Vasheghani Farahani, S.; Jafari, G. R.

2017-10-01

The dynamics of networks forming on Heider balance theory moves towards lower tension states. The condition derived from this theory enforces agents to reevaluate and modify their interactions to achieve equilibrium. These possible changes in network's topology can be considered as various paths that guide systems to minimum energy states. Based on this theory the final destination of a system could reside on a local minimum energy, ;jammed state;, or the global minimum energy, balanced states. The question we would like to address is whether jammed states just appear by chance? Or there exist some pseudo paths that bound a system towards a jammed state. We introduce an indicator to suspect the location of a jammed state based on the Inverse Participation Ratio method (IPR). We provide a margin before a local minimum where the number of possible paths dramatically drastically decreases. This is a condition that proves adequate for ending up on a jammed states.

A mathematical model for adaptive transport network in path finding by true slime mold.

PubMed

Tero, Atsushi; Kobayashi, Ryo; Nakagaki, Toshiyuki

2007-02-21

We describe here a mathematical model of the adaptive dynamics of a transport network of the true slime mold Physarum polycephalum, an amoeboid organism that exhibits path-finding behavior in a maze. This organism possesses a network of tubular elements, by means of which nutrients and signals circulate through the plasmodium. When the organism is put in a maze, the network changes its shape to connect two exits by the shortest path. This process of path-finding is attributed to an underlying physiological mechanism: a tube thickens as the flux through it increases. The experimental evidence for this is, however, only qualitative. We constructed a mathematical model of the general form of the tube dynamics. Our model contains a key parameter corresponding to the extent of the feedback regulation between the thickness of a tube and the flux through it. We demonstrate the dependence of the behavior of the model on this parameter.

The Study of Intelligent Vehicle Navigation Path Based on Behavior Coordination of Particle Swarm

PubMed Central

Han, Gaining; Fu, Weiping; Wang, Wen

2016-01-01

In the behavior dynamics model, behavior competition leads to the shock problem of the intelligent vehicle navigation path, because of the simultaneous occurrence of the time-variant target behavior and obstacle avoidance behavior. Considering the safety and real-time of intelligent vehicle, the particle swarm optimization (PSO) algorithm is proposed to solve these problems for the optimization of weight coefficients of the heading angle and the path velocity. Firstly, according to the behavior dynamics model, the fitness function is defined concerning the intelligent vehicle driving characteristics, the distance between intelligent vehicle and obstacle, and distance of intelligent vehicle and target. Secondly, behavior coordination parameters that minimize the fitness function are obtained by particle swarm optimization algorithms. Finally, the simulation results show that the optimization method and its fitness function can improve the perturbations of the vehicle planning path and real-time and reliability. PMID:26880881

Stage-by-Stage and Parallel Flow Path Compressor Modeling for a Variable Cycle Engine, NASA Advanced Air Vehicles Program - Commercial Supersonic Technology Project - AeroServoElasticity

NASA Technical Reports Server (NTRS)

Kopasakis, George; Connolly, Joseph W.; Cheng, Larry

2015-01-01

This paper covers the development of stage-by-stage and parallel flow path compressor modeling approaches for a Variable Cycle Engine. The stage-by-stage compressor modeling approach is an extension of a technique for lumped volume dynamics and performance characteristic modeling. It was developed to improve the accuracy of axial compressor dynamics over lumped volume dynamics modeling. The stage-by-stage compressor model presented here is formulated into a parallel flow path model that includes both axial and rotational dynamics. This is done to enable the study of compressor and propulsion system dynamic performance under flow distortion conditions. The approaches utilized here are generic and should be applicable for the modeling of any axial flow compressor design accurate time domain simulations. The objective of this work is as follows. Given the parameters describing the conditions of atmospheric disturbances, and utilizing the derived formulations, directly compute the transfer function poles and zeros describing these disturbances for acoustic velocity, temperature, pressure, and density. Time domain simulations of representative atmospheric turbulence can then be developed by utilizing these computed transfer functions together with the disturbance frequencies of interest.

i-PI: A Python interface for ab initio path integral molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Ceriotti, Michele; More, Joshua; Manolopoulos, David E.

2014-03-01

Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of these developments requires a considerable programming effort, which has hindered their adoption. Here we describe i-PI, an interface written in Python that has been designed to minimise the effort required to bring state-of-the-art path integral techniques to an electronic structure program. While it is best suited to first principles calculations and path integral molecular dynamics, i-PI can also be used to perform classical molecular dynamics simulations, and can just as easily be interfaced with an empirical forcefield code. To give just one example of the many potential applications of the interface, we use it in conjunction with the CP2K electronic structure package to showcase the importance of nuclear quantum effects in high-pressure water. Catalogue identifier: AERN_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AERN_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 138626 No. of bytes in distributed program, including test data, etc.: 3128618 Distribution format: tar.gz Programming language: Python. Computer: Multiple architectures. Operating system: Linux, Mac OSX, Windows. RAM: Less than 256 Mb Classification: 7.7. External routines: NumPy Nature of problem: Bringing the latest developments in the modelling of nuclear quantum effects with path integral molecular dynamics to ab initio electronic structure programs with minimal implementational effort. Solution method: State-of-the-art path integral molecular dynamics techniques are implemented in a Python interface. Any electronic structure code can be patched to receive the atomic coordinates from the Python interface, and to return the forces and energy that are used to integrate the equations of motion. Restrictions: This code only deals with distinguishable particles. It does not include fermonic or bosonic exchanges between equivalent nuclei, which can become important at very low temperatures. Running time: Depends dramatically on the nature of the simulation being performed. A few minutes for short tests with empirical force fields, up to several weeks for production calculations with ab initio forces. The examples provided with the code run in less than an hour.

Machine Learning and Network Analysis of Molecular Dynamics Trajectories Reveal Two Chains of Red/Ox-specific Residue Interactions in Human Protein Disulfide Isomerase.

PubMed

Karamzadeh, Razieh; Karimi-Jafari, Mohammad Hossein; Sharifi-Zarchi, Ali; Chitsaz, Hamidreza; Salekdeh, Ghasem Hosseini; Moosavi-Movahedi, Ali Akbar

2017-06-16

The human protein disulfide isomerase (hPDI), is an essential four-domain multifunctional enzyme. As a result of disulfide shuffling in its terminal domains, hPDI exists in two oxidation states with different conformational preferences which are important for substrate binding and functional activities. Here, we address the redox-dependent conformational dynamics of hPDI through molecular dynamics (MD) simulations. Collective domain motions are identified by the principal component analysis of MD trajectories and redox-dependent opening-closing structure variations are highlighted on projected free energy landscapes. Then, important structural features that exhibit considerable differences in dynamics of redox states are extracted by statistical machine learning methods. Mapping the structural variations to time series of residue interaction networks also provides a holistic representation of the dynamical redox differences. With emphasizing on persistent long-lasting interactions, an approach is proposed that compiled these time series networks to a single dynamic residue interaction network (DRIN). Differential comparison of DRIN in oxidized and reduced states reveals chains of residue interactions that represent potential allosteric paths between catalytic and ligand binding sites of hPDI.

Enabling Autonomous Rover Science through Dynamic Planning and Scheduling

NASA Technical Reports Server (NTRS)

Estlin, Tara A.; Gaines, Daniel; Chouinard, Caroline; Fisher, Forest; Castano, Rebecca; Judd, Michele; Nesnas, Issa

2005-01-01

This paper describes how dynamic planning and scheduling techniques can be used onboard a rover to autonomously adjust rover activities in support of science goals. These goals could be identified by scientists on the ground or could be identified by onboard data-analysis software. Several different types of dynamic decisions are described, including the handling of opportunistic science goals identified during rover traverses, preserving high priority science targets when resources, such as power, are unexpectedly over-subscribed, and dynamically adding additional, ground-specified science targets when rover actions are executed more quickly than expected. After describing our specific system approach, we discuss some of the particular challenges we have examined to support autonomous rover decision-making. These include interaction with rover navigation and path-planning software and handling large amounts of uncertainty in state and resource estimations.

Solvent Dependence of Double Proton Transfer in the Formic Acid-Formamidine Complex: Path Integral Molecular Dynamics Investigation.

PubMed

Kungwan, Nawee; Ngaojampa, Chanisorn; Ogata, Yudai; Kawatsu, Tsutomu; Oba, Yuki; Kawashima, Yukio; Tachikawa, Masanori

2017-10-05

Solvent dependence of double proton transfer in the formic acid-formamidine (FA-FN) complex at room temperature was investigated by means of ab initio path integral molecular dynamics (AIPIMD) simulation with taking nuclear quantum and thermal effects into account. The conductor-like screening model (COSMO) was applied for solvent effect. In comparison with gas phase, double proton delocalization between two heavy atoms (O and N) in FA-FN were observed with reduced proton transfer barrier height in low dielectric constant medium (<4.8). For dielectric constant medium at 4.8, the chance of finding these two protons are more pronounced due to the solvent effect which completely washes out the proton transfer barrier. In the case of higher dielectric constant medium (>4.8), the ionic species becomes more stable than the neutral ones and the formate anion and formamidium cation are thermodynamically stable. For ab initio molecular dynamics simulation, in low dielectric constant medium (<4.8) a reduction of proton transfer barrier with solvent effect is found to be less pronounced than the AIPIMD due to the absence of nuclear quantum effect. Moreover, the motions of FA-FN complex are significantly different with increasing dielectric constant medium. Such a difference is revealed in detail by the principal component analysis.

Mobility-Resolved Ion Selection in Uniform Drift Field Ion Mobility Spectrometry/Mass Spectrometry: Dynamic Switching in Structures for Lossless Ion Manipulations

DOE PAGES

Webb, Ian K.; Garimella, Sandilya V. B.; Tolmachev, Aleksey V.; ...

2014-09-15

A Structures for Lossless Ion Manipulations (SLIM) module that allows ion mobility separations and the switching of ions between alternative drift paths is described. The SLIM switch component has a “Tee” configuration and allows switching of ions between a linear path and a 90-degree bend. By controlling switching times, ions can be deflected to an alternative channel as a function of their mobilities. In the initial evaluation the switch is used in a static mode and shown compatible with high performance ion mobility separations at 4 torr. In the “dynamic mode” we show that mobility-selected ions can be switched intomore » the alternative channel, and that various ion species can be independently selected based on their mobilities for time-of-flight mass spectrometer (TOF MS) IMS detection and mass analysis. Ultimately, this development also provides the basis for e.g. the selection of specific mobilities for storage and accumulation, and key modules for the assembly of SLIM devices enabling much more complex sequences of ion manipulations.« less

Influence of impeller shroud forces on turbopump rotor dynamics

NASA Technical Reports Server (NTRS)

Williams, J. P.; Childs, Dara W.

1993-01-01

The shrouded-impeller leakage path forces calculated by Childs have been analyzed to answer two questions. First, because of certain characteristics or the results of Childs, the forces could not be modeled with traditional approaches. Therefore, an approach has been devised to include the forces in conventional rotordynamic analyses. The forces were found to be well-modeled with this approach. Finally, the effect these forces had on a simple rotor-bearing system was analyzed, and, therefore, they, in addition to seal forces, were applied to a Jeffcott rotor. The traditional methods of dynamic system analysis were modified to incorporate the impeller forces and yielded results for the eigenproblem, frequency response, critical speed, transient response, and an iterative technique for finding the frequency of free vibration as well as system stability. All results lead to the conclusion that the forces have little influence on natural frequency but can have appreciable effects on system stability. Specifically, at higher values of fluid swirl at the leakage path entrance, relative stability is reduced. The only unexpected response characteristics that occurred are attributed to the nonlinearity of the model.

Reentry trajectory optimization with waypoint and no-fly zone constraints using multiphase convex programming

NASA Astrophysics Data System (ADS)

Zhao, Dang-Jun; Song, Zheng-Yu

2017-08-01

This study proposes a multiphase convex programming approach for rapid reentry trajectory generation that satisfies path, waypoint and no-fly zone (NFZ) constraints on Common Aerial Vehicles (CAVs). Because the time when the vehicle reaches the waypoint is unknown, the trajectory of the vehicle is divided into several phases according to the prescribed waypoints, rendering a multiphase optimization problem with free final time. Due to the requirement of rapidity, the minimum flight time of each phase index is preferred over other indices in this research. The sequential linearization is used to approximate the nonlinear dynamics of the vehicle as well as the nonlinear concave path constraints on the heat rate, dynamic pressure, and normal load; meanwhile, the convexification techniques are proposed to relax the concave constraints on control variables. Next, the original multiphase optimization problem is reformulated as a standard second-order convex programming problem. Theoretical analysis is conducted to show that the original problem and the converted problem have the same solution. Numerical results are presented to demonstrate that the proposed approach is efficient and effective.

Runoff sources and flow paths dynamics in the Andean Páramo.

NASA Astrophysics Data System (ADS)

Correa, Alicia; Windhorst, David; Tetzlaff, Doerthe; Silva, Camila; Crespo, Patricio; Celleri, Rolando; Feyen, Jan; Breuer, Lutz

2017-04-01

The dynamics of runoff sources and flow paths in headwater catchments are still poorly understood. This is even more the case for remote areas such as the Páramo (Alpine grasslands) in the Andes, where these ecosystems act as water towers for a large fraction of the society. Temporal dynamics in water source areas, flow paths and relative age were assessed in a small catchment in the Ecuadorian Andes using data from the Zhurucay Ecohydrological Observatory (7.53 km2). We applied End Member Mixing Analysis, Hydrograph Separation and Inverse Transit Time Proxies to a multi-tracer set of solutes, stable isotopes, pH and electrical conductivity sampled from stream and twelve potential sources during two years. Rainfall, spring water and water from the bottom layers of Histosols (located at the foot of the hillslopes and in the riparian zone) and Andosols (located at the hillslopes) represented the dominant sources for runoff generation. Water coming from Histosols was the main contributor to stream water year-round, in line with a hydrological system that is dominated by pre-event water. Rainfall presented a uniform contribution during the year, while in drier conditions the spring water tripled in contribution. In wetter conditions, the relative age of stream water decreases, when the contributing area of the riparian zone expands, increasing the connectivity with lateral flow from hillslopes to the channel network. Being one of the earliest in the region, this multi-method study improved the understanding of the hydrological processes of headwater catchments and allowed to demonstrate that catchments with relatively homogeneous hydro-climatic conditions are characterized by inter-annual varying source contributions.

An Assessment of the State-of-the-art in Multidisciplinary Aeromechanical Analyses

NASA Technical Reports Server (NTRS)

Datta, Anubhav; Johnson, Wayne

2008-01-01

This paper presents a survey of the current state-of-the-art in multidisciplinary aeromechanical analyses which integrate advanced Computational Structural Dynamics (CSD) and Computational Fluid Dynamics (CFD) methods. The application areas to be surveyed include fixed wing aircraft, turbomachinery, and rotary wing aircraft. The objective of the authors in the present paper, together with a companion paper on requirements, is to lay out a path for a High Performance Computing (HPC) based next generation comprehensive rotorcraft analysis. From this survey of the key technologies in other application areas it is possible to identify the critical technology gaps that stem from unique rotorcraft requirements.

Diffusion Dynamics and Creative Destruction in a Simple Classical Model

PubMed Central

2015-01-01

ABSTRACT The article explores the impact of the diffusion of new methods of production on output and employment growth and income distribution within a Classical one‐sector framework. Disequilibrium paths are studied analytically and in terms of simulations. Diffusion by differential growth affects aggregate dynamics through several channels. The analysis reveals the non‐steady nature of economic change and shows that the adaptation pattern depends both on the innovation's factor‐saving bias and on the extent of the bias, which determines the strength of the selection pressure on non‐innovators. The typology of different cases developed shows various aspects of Schumpeter's concept of creative destruction. PMID:27642192

Blip decomposition of the path integral: exponential acceleration of real-time calculations on quantum dissipative systems.

PubMed

Makri, Nancy

2014-10-07

The real-time path integral representation of the reduced density matrix for a discrete system in contact with a dissipative medium is rewritten in terms of the number of blips, i.e., elementary time intervals over which the forward and backward paths are not identical. For a given set of blips, it is shown that the path sum with respect to the coordinates of all remaining time points is isomorphic to that for the wavefunction of a system subject to an external driving term and thus can be summed by an inexpensive iterative procedure. This exact decomposition reduces the number of terms by a factor that increases exponentially with propagation time. Further, under conditions (moderately high temperature and/or dissipation strength) that lead primarily to incoherent dynamics, the "fully incoherent limit" zero-blip term of the series provides a reasonable approximation to the dynamics, and the blip series converges rapidly to the exact result. Retention of only the blips required for satisfactory convergence leads to speedup of full-memory path integral calculations by many orders of magnitude.

Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory.

PubMed

Gao, J

2016-01-01

Path-integral free energy perturbation (PI-FEP) theory is presented to directly determine the ratio of quantum mechanical partition functions of different isotopologs in a single simulation. Furthermore, a double averaging strategy is used to carry out the practical simulation, separating the quantum mechanical path integral exactly into two separate calculations, one corresponding to a classical molecular dynamics simulation of the centroid coordinates, and another involving free-particle path-integral sampling over the classical, centroid positions. An integrated centroid path-integral free energy perturbation and umbrella sampling (PI-FEP/UM, or simply, PI-FEP) method along with bisection sampling was summarized, which provides an accurate and fast convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. The PI-FEP method is illustrated by a number of applications, to highlight the computational precision and accuracy, the rule of geometrical mean in kinetic isotope effects, enhanced nuclear quantum effects in enzyme catalysis, and protein dynamics on temperature dependence of kinetic isotope effects. © 2016 Elsevier Inc. All rights reserved.

Visualization and Hierarchical Analysis of Flow in Discrete Fracture Network Models

NASA Astrophysics Data System (ADS)

Aldrich, G. A.; Gable, C. W.; Painter, S. L.; Makedonska, N.; Hamann, B.; Woodring, J.

2013-12-01

Flow and transport in low permeability fractured rock is primary in interconnected fracture networks. Prediction and characterization of flow and transport in fractured rock has important implications in underground repositories for hazardous materials (eg. nuclear and chemical waste), contaminant migration and remediation, groundwater resource management, and hydrocarbon extraction. We have developed methods to explicitly model flow in discrete fracture networks and track flow paths using passive particle tracking algorithms. Visualization and analysis of particle trajectory through the fracture network is important to understanding fracture connectivity, flow patterns, potential contaminant pathways and fast paths through the network. However, occlusion due to the large number of highly tessellated and intersecting fracture polygons preclude the effective use of traditional visualization methods. We would also like quantitative analysis methods to characterize the trajectory of a large number of particle paths. We have solved these problems by defining a hierarchal flow network representing the topology of particle flow through the fracture network. This approach allows us to analyses the flow and the dynamics of the system as a whole. We are able to easily query the flow network, and use paint-and-link style framework to filter the fracture geometry and particle traces based on the flow analytics. This allows us to greatly reduce occlusion while emphasizing salient features such as the principal transport pathways. Examples are shown that demonstrate the methodology and highlight how use of this new method allows quantitative analysis and characterization of flow and transport in a number of representative fracture networks.

Characterization of the Space Shuttle Ascent Debris using CFD Methods

NASA Technical Reports Server (NTRS)

Murman, Scott M.; Aftosmis, Michael J.; Rogers, Stuart E.

2005-01-01

After video analysis of space shuttle flight STS-107's ascent showed that an object shed from the bipod-ramp region impacted the left wing, a transport analysis was initiated to determine a credible flight path and impact velocity for the piece of debris. This debris transport analysis was performed both during orbit, and after the subsequent re-entry accident. The analysis provided an accurate prediction of the velocity a large piece of foam bipod ramp would have as it impacted the wing leading edge. This prediction was corroborated by video analysis and fully-coupled CFD/six degree of freedom (DOF) simulations. While the prediction of impact velocity was accurate enough to predict critical damage in this case, one of the recommendations of the Columbia Accident Investigation Board (CAIB) for return-to-flight (RTF) was to analyze the complete debris environment experienced by the shuttle stack on ascent. This includes categorizing all possible debris sources, their probable geometric and aerodynamic characteristics, and their potential for damage. This paper is chiefly concerned with predicting the aerodynamic characteristics of a variety of potential debris sources (insulating foam and cork, nose-cone ablator, ice, ...) for the shuttle ascent configuration using CFD methods. These aerodynamic characteristics are used in the debris transport analysis to predict flight path, impact velocity and angle, and provide statistical variation to perform risk analyses where appropriate. The debris aerodynamic characteristics are difficult to determine using traditional methods, such as static or dynamic test data, due to the scaling requirements of simulating a typical debris event. The use of CFD methods has been a critical element for building confidence in the accuracy of the debris transport code by bridging the gap between existing aerodynamic data and the dynamics of full-scale, in-flight events.

Dynamical correlation effects on photoisomerization: Ab initio multiple spawning dynamics with MS-CASPT2 for a model trans-protonated Schiff base

DOE PAGES

Liu, Lihong; Liu, Jian; Martinez, Todd J.

2015-12-17

Here, we investigate the photoisomerization of a model retinal protonated Schiff base (trans-PSB3) using ab initio multiple spawning (AIMS) based on multi-state second order perturbation theory (MSPT2). Discrepancies between the photodynamical mechanism computed with three-root state-averaged complete active space self-consistent field (SA-3-CASSCF, which does not include dynamic electron correlation effects) and MSPT2 show that dynamic correlation is critical in this photoisomerization reaction. Furthermore, we show that the photodynamics of trans-PSB3 is not well described by predictions based on minimum energy conical intersections (MECIs) or minimum energy conical intersection (CI) seam paths. Instead, most of the CIs involved in the photoisomerizationmore » are far from MECIs and minimum energy CI seam paths. Thus, both dynamical nuclear effects and dynamic electron correlation are critical to understanding the photochemical mechanism.« less

Quantifying time-of-flight-resolved optical field dynamics in turbid media with interferometric near-infrared spectroscopy (iNIRS) (Conference Presentation)

NASA Astrophysics Data System (ADS)

Borycki, Dawid; Kholiqov, Oybek; Zhou, Wenjun; Srinivasan, Vivek J.

2017-03-01

Sensing and imaging methods based on the dynamic scattering of coherent light, including laser speckle, laser Doppler, and diffuse correlation spectroscopy quantify scatterer motion using light intensity (speckle) fluctuations. The underlying optical field autocorrelation (OFA), rather than being measured directly, is typically inferred from the intensity autocorrelation (IA) through the Siegert relationship, by assuming that the scattered field obeys Gaussian statistics. In this work, we demonstrate interferometric near-infrared spectroscopy (iNIRS) for measurement of time-of-flight (TOF) resolved field and intensity autocorrelations in fluid tissue phantoms and in vivo. In phantoms, we find a breakdown of the Siegert relationship for short times-of-flight due to a contribution from static paths whose optical field does not decorrelate over experimental time scales, and demonstrate that eliminating such paths by polarization gating restores the validity of the Siegert relationship. Inspired by these results, we developed a method, called correlation gating, for separating the OFA into static and dynamic components. Correlation gating enables more precise quantification of tissue dynamics. To prove this, we show that iNIRS and correlation gating can be applied to measure cerebral hemodynamics of the nude mouse in vivo using dynamically scattered (ergodic) paths and not static (non-ergodic) paths, which may not be impacted by blood. More generally, correlation gating, in conjunction with TOF resolution, enables more precise separation of diffuse and non-diffusive contributions to OFA than is possible with TOF resolution alone. Finally, we show that direct measurements of OFA are statistically more efficient than indirect measurements based on IA.

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.

Automatically visualise and analyse data on pathways using PathVisioRPC from any programming environment.

PubMed

Bohler, Anwesha; Eijssen, Lars M T; van Iersel, Martijn P; Leemans, Christ; Willighagen, Egon L; Kutmon, Martina; Jaillard, Magali; Evelo, Chris T

2015-08-23

Biological pathways are descriptive diagrams of biological processes widely used for functional analysis of differentially expressed genes or proteins. Primary data analysis, such as quality control, normalisation, and statistical analysis, is often performed in scripting languages like R, Perl, and Python. Subsequent pathway analysis is usually performed using dedicated external applications. Workflows involving manual use of multiple environments are time consuming and error prone. Therefore, tools are needed that enable pathway analysis directly within the same scripting languages used for primary data analyses. Existing tools have limited capability in terms of available pathway content, pathway editing and visualisation options, and export file formats. Consequently, making the full-fledged pathway analysis tool PathVisio available from various scripting languages will benefit researchers. We developed PathVisioRPC, an XMLRPC interface for the pathway analysis software PathVisio. PathVisioRPC enables creating and editing biological pathways, visualising data on pathways, performing pathway statistics, and exporting results in several image formats in multiple programming environments. We demonstrate PathVisioRPC functionalities using examples in Python. Subsequently, we analyse a publicly available NCBI GEO gene expression dataset studying tumour bearing mice treated with cyclophosphamide in R. The R scripts demonstrate how calls to existing R packages for data processing and calls to PathVisioRPC can directly work together. To further support R users, we have created RPathVisio simplifying the use of PathVisioRPC in this environment. We have also created a pathway module for the microarray data analysis portal ArrayAnalysis.org that calls the PathVisioRPC interface to perform pathway analysis. This module allows users to use PathVisio functionality online without having to download and install the software and exemplifies how the PathVisioRPC interface can be used by data analysis pipelines for functional analysis of processed genomics data. PathVisioRPC enables data visualisation and pathway analysis directly from within various analytical environments used for preliminary analyses. It supports the use of existing pathways from WikiPathways or pathways created using the RPC itself. It also enables automation of tasks performed using PathVisio, making it useful to PathVisio users performing repeated visualisation and analysis tasks. PathVisioRPC is freely available for academic and commercial use at http://projects.bigcat.unimaas.nl/pathvisiorpc.

Proceedings of the First Landscape State-and-Transition Simulation Modeling Conference, June 14–16, 2011, Portland, Oregon

Treesearch

Becky K. Kerns; Ayn J. Shlisky; Colin J. Daniel

2012-01-01

The first ever Landscape State-and-Transition Simulation Modeling Conference was held from June 14–16, 2011, in Portland Oregon. The conference brought together over 70 users of state-and-transition simulation modeling tools—the Vegetation Dynamics Development Tool (VDDT), the Tool for Exploratory Landscape Analysis (TELSA) and the Path Landscape Model. The goal of the...

Changing the Graduate Medical Education Funding Path to Reduce the Price of Health Care Services.

PubMed

Martin, Ralph A

2015-01-01

An analysis of the current Graduate Medical Education (GME) funding stream reveals undesired aspects that limit the number of graduates and may tend to raise the price of health care services. The author shows that a different model of GME funding changes the economic dynamics and takes advantage of economic forces to increase the supply of graduates, while potentially reducing the price of health care services.

Computational Analysis of Hybrid Two-Photon Absorbers with Excited State Absorption

DTIC Science & Technology

2007-03-01

level. This hybrid arrangement creates a complex dynamical system in which the electron carrier concentration of every photo-activated energy level...spatiotemporal details of the electron population densities of each photo-activated energy level as well as the pulse shape in space and time. The main...experiments at low input energy . However, further additions must be done to the calculation of the optical path for high input energy . 1 15. SUBJECT TERM

Formulation of D-brane Dynamics

NASA Astrophysics Data System (ADS)

Evans, Thomas

2012-03-01

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

An on-board near-optimal climb-dash energy management

NASA Technical Reports Server (NTRS)

Weston, A. R.; Cliff, E. M.; Kelley, H. J.

1982-01-01

On-board real time flight control is studied in order to develop algorithms which are simple enough to be used in practice, for a variety of missions involving three dimensional flight. The intercept mission in symmetric flight is emphasized. Extensive computation is required on the ground prior to the mission but the ensuing on-board exploitation is extremely simple. The scheme takes advantage of the boundary layer structure common in singular perturbations, arising with the multiple time scales appropriate to aircraft dynamics. Energy modelling of aircraft is used as the starting point for the analysis. In the symmetric case, a nominal path is generated which fairs into the dash or cruise state. Feedback coefficients are found as functions of the remaining energy to go (dash energy less current energy) along the nominal path.

Thermal coupling effect on the vortex dynamics of superconducting thin films: time-dependent Ginzburg–Landau simulations

NASA Astrophysics Data System (ADS)

Jing, Ze; Yong, Huadong; Zhou, Youhe

2018-05-01

In this paper, vortex dynamics of superconducting thin films are numerically investigated by the generalized time-dependent Ginzburg–Landau (TDGL) theory. Interactions between vortex motion and the motion induced energy dissipation is considered by solving the coupled TDGL equation and the heat diffusion equation. It is found that thermal coupling has significant effects on the vortex dynamics of superconducting thin films. Branching in the vortex penetration path originates from the coupling between vortex motion and the motion induced energy dissipation. In addition, the environment temperature, the magnetic field ramp rate and the geometry of the superconducting film also greatly influence the vortex dynamic behaviors. Our results provide new insights into the dynamics of superconducting vortices, and give a mesoscopic understanding on the channeling and branching of vortex penetration paths during flux avalanches.

Temperature-Dependent Conformational Properties of Human Neuronal Calcium Sensor-1 Protein Revealed by All-Atom Simulations.

PubMed

Zhu, Yuzhen; Ma, Buyong; Qi, Ruxi; Nussinov, Ruth; Zhang, Qingwen

2016-04-14

Neuronal calcium sensor-1 (NCS-1) protein has orthologues from Saccharomyces cerevisiae to human with highly conserved amino acid sequences. NCS-1 is an important factor controlling the animal's response to temperature change. This leads us to investigate the temperature effects on the conformational dynamics of human NCS-1 at 310 and 316 K by all-atom molecular dynamics (MD) simulations and dynamic community network analysis. Four independent 500 ns MD simulations show that secondary structure content at 316 K is similar to that at 310 K, whereas the global protein structure is expanded. Loop 3 (L3) adopts an extended state occuping the hydrophobic crevice, and the number of suboptimal communication paths between residue D176 and V190 is reduced at 316 K. The dynamic community network analysis suggests that the interdomain correlation is weakened, and the intradomain coupling is strengthened at 316 K. The elevated temperature reduces the number of the salt bridges, especially in C-domain. This study suggests that the elevated temperature affects the conformational dynamics of human NCS-1 protein. Comparison of the structural dynamics of R102Q mutant and Δ176-190 truncated NCS-1 suggests that the structural and dynamical response of NCS-1 protein to elevated temperature may be one of its intrinsic functional properties.

Path Planning Method in Multi-obstacle Marine Environment

NASA Astrophysics Data System (ADS)

Zhang, Jinpeng; Sun, Hanxv

2017-12-01

In this paper, an improved algorithm for particle swarm optimization is proposed for the application of underwater robot in the complex marine environment. Not only did consider to avoid obstacles when path planning, but also considered the current direction and the size effect on the performance of the robot dynamics. The algorithm uses the trunk binary tree structure to construct the path search space and A * heuristic search method is used in the search space to find a evaluation standard path. Then the particle swarm algorithm to optimize the path by adjusting evaluation function, which makes the underwater robot in the current navigation easier to control, and consume less energy.

Perfect discretization of path integrals

NASA Astrophysics Data System (ADS)

Steinhaus, Sebastian

2012-05-01

In order to obtain a well-defined path integral one often employs discretizations. In the case of General Relativity these generically break diffeomorphism symmetry, which has severe consequences since these symmetries determine the dynamics of the corresponding system. In this article we consider the path integral of reparametrization invariant systems as a toy example and present an improvement procedure for the discretized propagator. Fixed points and convergence of the procedure are discussed. Furthermore we show that a reparametrization invariant path integral implies discretization independence and acts as a projector onto physical states.

Planning paths through a spatial hierarchy - Eliminating stair-stepping effects

NASA Technical Reports Server (NTRS)

Slack, Marc G.

1989-01-01

Stair-stepping effects are a result of the loss of spatial continuity resulting from the decomposition of space into a grid. This paper presents a path planning algorithm which eliminates stair-stepping effects induced by the grid-based spatial representation. The algorithm exploits a hierarchical spatial model to efficiently plan paths for a mobile robot operating in dynamic domains. The spatial model and path planning algorithm map to a parallel machine, allowing the system to operate incrementally, thereby accounting for unexpected events in the operating space.

A longitudinal analysis of the relationship between fertility timing and schooling.

PubMed

Stange, Kevin

2011-08-01

This article quantifies the contribution of pre-treatment dynamic selection to the relationship between fertility timing and postsecondary attainment, after controlling for a rich set of predetermined characteristics. Eventual mothers and nonmothers are matched using their predicted birth hazard rate, which shares the desirable properties of a propensity score but in a multivalued treatment setting. I find that eventual mothers and matched nonmothers enter college at the same rate, but their educational paths diverge well before the former become pregnant. This pre-pregnancy divergence creates substantial differences in ultimate educational attainment that cannot possibly be due to the childbirth itself. Controls for predetermined characteristics and fixed effects do not address this form of dynamic selection bias. A dynamic model of the simultaneous childbirth-education sequencing decision is necessary to address it.

Life-space foam: A medium for motivational and cognitive dynamics

NASA Astrophysics Data System (ADS)

Ivancevic, Vladimir; Aidman, Eugene

2007-08-01

General stochastic dynamics, developed in a framework of Feynman path integrals, have been applied to Lewinian field-theoretic psychodynamics [K. Lewin, Field Theory in Social Science, University of Chicago Press, Chicago, 1951; K. Lewin, Resolving Social Conflicts, and, Field Theory in Social Science, American Psychological Association, Washington, 1997; M. Gold, A Kurt Lewin Reader, the Complete Social Scientist, American Psychological Association, Washington, 1999], resulting in the development of a new concept of life-space foam (LSF) as a natural medium for motivational and cognitive psychodynamics. According to LSF formalisms, the classic Lewinian life space can be macroscopically represented as a smooth manifold with steady force fields and behavioral paths, while at the microscopic level it is more realistically represented as a collection of wildly fluctuating force fields, (loco)motion paths and local geometries (and topologies with holes). A set of least-action principles is used to model the smoothness of global, macro-level LSF paths, fields and geometry. To model the corresponding local, micro-level LSF structures, an adaptive path integral is used, defining a multi-phase and multi-path (multi-field and multi-geometry) transition process from intention to goal-driven action. Application examples of this new approach include (but are not limited to) information processing, motivational fatigue, learning, memory and decision making.

Functional Integration

NASA Astrophysics Data System (ADS)

Cartier, Pierre; DeWitt-Morette, Cecile

2006-11-01

Acknowledgements; List symbols, conventions, and formulary; Part I. The Physical and Mathematical Environment: 1. The physical and mathematical environment; Part II. Quantum Mechanics: 2. First lesson: gaussian integrals; 3. Selected examples; 4. Semiclassical expansion: WKB; 5. Semiclassical expansion: beyond WKB; 6. Quantum dynamics: path integrals and operator formalism; Part III. Methods from Differential Geometry: 7. Symmetries; 8. Homotopy; 9. Grassmann analysis: basics; 10. Grassmann analysis: applications; 11. Volume elements, divergences, gradients; Part IV. Non-Gaussian Applications: 12. Poisson processes in physics; 13. A mathematical theory of Poisson processes; 14. First exit time: energy problems; Part V. Problems in Quantum Field Theory: 15. Renormalization 1: an introduction; 16. Renormalization 2: scaling; 17. Renormalization 3: combinatorics; 18. Volume elements in quantum field theory Bryce DeWitt; Part VI. Projects: 19. Projects; Appendix A. Forward and backward integrals: spaces of pointed paths; Appendix B. Product integrals; Appendix C. A compendium of gaussian integrals; Appendix D. Wick calculus Alexander Wurm; Appendix E. The Jacobi operator; Appendix F. Change of variables of integration; Appendix G. Analytic properties of covariances; Appendix H. Feynman's checkerboard; Bibliography; Index.

Functional Integration

NASA Astrophysics Data System (ADS)

Cartier, Pierre; DeWitt-Morette, Cecile

2010-06-01

Acknowledgements; List symbols, conventions, and formulary; Part I. The Physical and Mathematical Environment: 1. The physical and mathematical environment; Part II. Quantum Mechanics: 2. First lesson: gaussian integrals; 3. Selected examples; 4. Semiclassical expansion: WKB; 5. Semiclassical expansion: beyond WKB; 6. Quantum dynamics: path integrals and operator formalism; Part III. Methods from Differential Geometry: 7. Symmetries; 8. Homotopy; 9. Grassmann analysis: basics; 10. Grassmann analysis: applications; 11. Volume elements, divergences, gradients; Part IV. Non-Gaussian Applications: 12. Poisson processes in physics; 13. A mathematical theory of Poisson processes; 14. First exit time: energy problems; Part V. Problems in Quantum Field Theory: 15. Renormalization 1: an introduction; 16. Renormalization 2: scaling; 17. Renormalization 3: combinatorics; 18. Volume elements in quantum field theory Bryce DeWitt; Part VI. Projects: 19. Projects; Appendix A. Forward and backward integrals: spaces of pointed paths; Appendix B. Product integrals; Appendix C. A compendium of gaussian integrals; Appendix D. Wick calculus Alexander Wurm; Appendix E. The Jacobi operator; Appendix F. Change of variables of integration; Appendix G. Analytic properties of covariances; Appendix H. Feynman's checkerboard; Bibliography; Index.

Traverse Planning with Temporal-Spatial Constraints

NASA Technical Reports Server (NTRS)

Bresina, John L.; Morris, Paul H.; Deans, Mathew C.; Cohen, Tamar E.; Lees, David S.

2017-01-01

We present an approach to planning rover traverses in a domain that includes temporal-spatial constraints. We are using the NASA Resource Prospector mission as a reference mission in our research. The objective of this mission is to explore permanently shadowed regions at a Lunar pole. Most of the time the rover is required to avoid being in shadow. This requirement depends on where the rover is located and when it is at that location. Such a temporal-spatial constraint makes traverse planning more challenging for both humans and machines. We present a mixed-initiative traverse planner which addresses this challenge. This traverse planner is part of the Exploration Ground Data Systems (xGDS), which we have enhanced with new visualization features, new analysis tools, and new automation for path planning, in order to be applicable to the Re-source Prospector mission. The key concept that is the basis of the analysis tools and that supports the automated path planning is reachability in this dynamic environment due to the temporal-spatial constraints.

A novel representation for planning 3-D collision-free paths

NASA Technical Reports Server (NTRS)

Bonner, Susan; Kelley, Robert B.

1990-01-01

A new scheme for the representation of objects, the successive spherical approximation (SSA), facilitates the rapid planning of collision-free paths in a dynamic three-dimensional environment. The hierarchical nature of the SSA allows collisions to be determined efficiently while still providing an exact representation of objects. The rapidity with which collisions can be detected, less than 1 sec per environment object per path, makes it possible to use a generate-and-test path-planning strategy driven by human conceptual knowledge to determine collision-free paths in a matter of seconds on a Sun 3/180 computer. A hierarchy of rules, based on the concept of a free space cell, is used to find heuristically satisfying collision-free paths in a structured environment.

Variational path integral molecular dynamics and hybrid Monte Carlo algorithms using a fourth order propagator with applications to molecular systems

NASA Astrophysics Data System (ADS)

Kamibayashi, Yuki; Miura, Shinichi

2016-08-01

In the present study, variational path integral molecular dynamics and associated hybrid Monte Carlo (HMC) methods have been developed on the basis of a fourth order approximation of a density operator. To reveal various parameter dependence of physical quantities, we analytically solve one dimensional harmonic oscillators by the variational path integral; as a byproduct, we obtain the analytical expression of the discretized density matrix using the fourth order approximation for the oscillators. Then, we apply our methods to realistic systems like a water molecule and a para-hydrogen cluster. In the HMC, we adopt two level description to avoid the time consuming Hessian evaluation. For the systems examined in this paper, the HMC method is found to be about three times more efficient than the molecular dynamics method if appropriate HMC parameters are adopted; the advantage of the HMC method is suggested to be more evident for systems described by many body interaction.

Option pricing, stochastic volatility, singular dynamics and constrained path integrals

NASA Astrophysics Data System (ADS)

Contreras, Mauricio; Hojman, Sergio A.

2014-01-01

Stochastic volatility models have been widely studied and used in the financial world. The Heston model (Heston, 1993) [7] is one of the best known models to deal with this issue. These stochastic volatility models are characterized by the fact that they explicitly depend on a correlation parameter ρ which relates the two Brownian motions that drive the stochastic dynamics associated to the volatility and the underlying asset. Solutions to the Heston model in the context of option pricing, using a path integral approach, are found in Lemmens et al. (2008) [21] while in Baaquie (2007,1997) [12,13] propagators for different stochastic volatility models are constructed. In all previous cases, the propagator is not defined for extreme cases ρ=±1. It is therefore necessary to obtain a solution for these extreme cases and also to understand the origin of the divergence of the propagator. In this paper we study in detail a general class of stochastic volatility models for extreme values ρ=±1 and show that in these two cases, the associated classical dynamics corresponds to a system with second class constraints, which must be dealt with using Dirac’s method for constrained systems (Dirac, 1958,1967) [22,23] in order to properly obtain the propagator in the form of a Euclidean Hamiltonian path integral (Henneaux and Teitelboim, 1992) [25]. After integrating over momenta, one gets an Euclidean Lagrangian path integral without constraints, which in the case of the Heston model corresponds to a path integral of a repulsive radial harmonic oscillator. In all the cases studied, the price of the underlying asset is completely determined by one of the second class constraints in terms of volatility and plays no active role in the path integral.

Autonomous Collision-Free Navigation of Microvehicles in Complex and Dynamically Changing Environments.

PubMed

Li, Tianlong; Chang, Xiaocong; Wu, Zhiguang; Li, Jinxing; Shao, Guangbin; Deng, Xinghong; Qiu, Jianbin; Guo, Bin; Zhang, Guangyu; He, Qiang; Li, Longqiu; Wang, Joseph

2017-09-26

Self-propelled micro- and nanoscale robots represent a rapidly emerging and fascinating robotics research area. However, designing autonomous and adaptive control systems for operating micro/nanorobotics in complex and dynamically changing environments, which is a highly demanding feature, is still an unmet challenge. Here we describe a smart microvehicle for precise autonomous navigation in complicated environments and traffic scenarios. The fully autonomous navigation system of the smart microvehicle is composed of a microscope-coupled CCD camera, an artificial intelligence planner, and a magnetic field generator. The microscope-coupled CCD camera provides real-time localization of the chemically powered Janus microsphere vehicle and environmental detection for path planning to generate optimal collision-free routes, while the moving direction of the microrobot toward a reference position is determined by the external electromagnetic torque. Real-time object detection offers adaptive path planning in response to dynamically changing environments. We demonstrate that the autonomous navigation system can guide the vehicle movement in complex patterns, in the presence of dynamically changing obstacles, and in complex biological environments. Such a navigation system for micro/nanoscale vehicles, relying on vision-based close-loop control and path planning, is highly promising for their autonomous operation in complex dynamic settings and unpredictable scenarios expected in a variety of realistic nanoscale scenarios.

Dynamic perception of dynamic affordances: walking on a ship at sea.

PubMed

Walter, Hannah; Wagman, Jeffrey B; Stergiou, Nick; Erkmen, Nurtekin; Stoffregen, Thomas A

2017-02-01

Motion of the surface of the sea (waves, and swell) causes oscillatory motion of ships at sea. Generally, ships are longer than they are wide. One consequence of this structural difference is that oscillatory ship motion typically will be greater in roll (i.e., the ship rolling from side to side) than in pitch (i.e., the bow and stern rising and falling). For persons on ships at sea, affordances for walking on the open deck should be differentially influenced by ship motion in roll and pitch. Specifically, the minimum width of a walkable path should be greater when walking along the ship's short, or athwart axis than when walking along its long, or fore-aft axis. On a ship at sea, we evaluated the effects of walking in different directions (fore-aft vs. athwart) on actual walking performance. We did this by laying out narrow paths on the deck and asking participants (experienced maritime crewmembers) to walk as far as they could while remaining within the lateral path boundaries. As predicted, participants walked farther along the athwart path than along the fore-aft path. Before actual walking, we evaluated participants' judgments of their walking ability in the fore-aft and athwart directions. These judgments mirrored the observed differences in walking performance, and the accuracy of judgments did not differ between the two directions. We conclude that experienced maritime crewmembers were sensitive to affordances for walking in which the relevant properties of the environment were exclusively dynamic.

Dynamic perception of dynamic affordances: walking on a ship at sea

PubMed Central

Walter, Hannah; Wagman, Jeffrey B.; Stergiou, Nick; Erkmen, Nurtekin

2017-01-01

Motion of the surface of the sea (waves, and swell) causes oscillatory motion of ships at sea. Generally, ships are longer than they are wide. One consequence of this structural difference is that oscillatory ship motion typically will be greater in roll (i.e., the ship rolling from side to side) than in pitch (i.e., the bow and stern rising and falling). For persons on ships at sea, affordances for walking on the open deck should be differentially influenced by ship motion in roll and pitch. Specifically, the minimum width of a walkable path should be greater when walking along the ship’s short, or athwart axis than when walking along its long, or fore-aft axis. On a ship at sea, we evaluated the effects of walking in different directions (fore-aft vs. athwart) on actual walking performance. We did this by laying out narrow paths on the deck and asking participants (experienced maritime crewmembers) to walk as far as they could while remaining within the lateral path boundaries. As predicted, participants walked farther along the athwart path than along the fore-aft path. Before actual walking, we evaluated participants’ judgments of their walking ability in the fore-aft and athwart directions. These judgments mirrored the observed differences in walking performance, and the accuracy of judgments did not differ between the two directions. We conclude that experienced maritime crewmembers were sensitive to affordances for walking in which the relevant properties of the environment were exclusively dynamic. PMID:27787584

Kinetic constrained optimization of the golf swing hub path.

PubMed

Nesbit, Steven M; McGinnis, Ryan S

2014-12-01

This study details an optimization of the golf swing, where the hand path and club angular trajectories are manipulated. The optimization goal was to maximize club head velocity at impact within the interaction kinetic limitations (force, torque, work, and power) of the golfer as determined through the analysis of a typical swing using a two-dimensional dynamic model. The study was applied to four subjects with diverse swing capabilities and styles. It was determined that it is possible for all subjects to increase their club head velocity at impact within their respective kinetic limitations through combined modifications to their respective hand path and club angular trajectories. The manner of the modifications, the degree of velocity improvement, the amount of kinetic reduction, and the associated kinetic limitation quantities were subject dependent. By artificially minimizing selected kinetic inputs within the optimization algorithm, it was possible to identify swing trajectory characteristics that indicated relative kinetic weaknesses of a subject. Practical implications are offered based upon the findings of the study. Key PointsThe hand path trajectory is an important characteristic of the golf swing and greatly affects club head velocity and golfer/club energy transfer.It is possible to increase the energy transfer from the golfer to the club by modifying the hand path and swing trajectories without increasing the kinetic output demands on the golfer.It is possible to identify relative kinetic output strengths and weakness of a golfer through assessment of the hand path and swing trajectories.Increasing any one of the kinetic outputs of the golfer can potentially increase the club head velocity at impact.The hand path trajectory has important influences over the club swing trajectory.

Kinetic Constrained Optimization of the Golf Swing Hub Path

PubMed Central

Nesbit, Steven M.; McGinnis, Ryan S.

2014-01-01

This study details an optimization of the golf swing, where the hand path and club angular trajectories are manipulated. The optimization goal was to maximize club head velocity at impact within the interaction kinetic limitations (force, torque, work, and power) of the golfer as determined through the analysis of a typical swing using a two-dimensional dynamic model. The study was applied to four subjects with diverse swing capabilities and styles. It was determined that it is possible for all subjects to increase their club head velocity at impact within their respective kinetic limitations through combined modifications to their respective hand path and club angular trajectories. The manner of the modifications, the degree of velocity improvement, the amount of kinetic reduction, and the associated kinetic limitation quantities were subject dependent. By artificially minimizing selected kinetic inputs within the optimization algorithm, it was possible to identify swing trajectory characteristics that indicated relative kinetic weaknesses of a subject. Practical implications are offered based upon the findings of the study. Key Points The hand path trajectory is an important characteristic of the golf swing and greatly affects club head velocity and golfer/club energy transfer. It is possible to increase the energy transfer from the golfer to the club by modifying the hand path and swing trajectories without increasing the kinetic output demands on the golfer. It is possible to identify relative kinetic output strengths and weakness of a golfer through assessment of the hand path and swing trajectories. Increasing any one of the kinetic outputs of the golfer can potentially increase the club head velocity at impact. The hand path trajectory has important influences over the club swing trajectory. PMID:25435779

Multiscale simulations of patchy particle systems combining Molecular Dynamics, Path Sampling and Green's Function Reaction Dynamics

NASA Astrophysics Data System (ADS)

Bolhuis, Peter

Important reaction-diffusion processes, such as biochemical networks in living cells, or self-assembling soft matter, span many orders in length and time scales. In these systems, the reactants' spatial dynamics at mesoscopic length and time scales of microns and seconds is coupled to the reactions between the molecules at microscopic length and time scales of nanometers and milliseconds. This wide range of length and time scales makes these systems notoriously difficult to simulate. While mean-field rate equations cannot describe such processes, the mesoscopic Green's Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. The recently developed multiscale Molecular Dynamics Green's Function Reaction Dynamics (MD-GFRD) approach combines GFRD for simulating the system at the mesocopic scale where particles are far apart, with microscopic Molecular (or Brownian) Dynamics, for simulating the system at the microscopic scale where reactants are in close proximity. The association and dissociation of particles are treated with rare event path sampling techniques. I will illustrate the efficiency of this method for patchy particle systems. Replacing the microscopic regime with a Markov State Model avoids the microscopic regime completely. The MSM is then pre-computed using advanced path-sampling techniques such as multistate transition interface sampling. I illustrate this approach on patchy particle systems that show multiple modes of binding. MD-GFRD is generic, and can be used to efficiently simulate reaction-diffusion systems at the particle level, including the orientational dynamics, opening up the possibility for large-scale simulations of e.g. protein signaling networks.

pathChirp: Efficient Available Bandwidth Estimation for Network Paths

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

Cottrell, Les

2003-04-30

This paper presents pathChirp, a new active probing tool for estimating the available bandwidth on a communication network path. Based on the concept of ''self-induced congestion,'' pathChirp features an exponential flight pattern of probes we call a chirp. Packet chips offer several significant advantages over current probing schemes based on packet pairs or packet trains. By rapidly increasing the probing rate within each chirp, pathChirp obtains a rich set of information from which to dynamically estimate the available bandwidth. Since it uses only packet interarrival times for estimation, pathChirp does not require synchronous nor highly stable clocks at the sendermore » and receiver. We test pathChirp with simulations and Internet experiments and find that it provides good estimates of the available bandwidth while using only a fraction of the number of probe bytes that current state-of-the-art techniques use.« less

Redundancy, Self-Motion, and Motor Control

PubMed Central

Martin, V.; Scholz, J. P.; Schöner, G.

2011-01-01

Outside the laboratory, human movement typically involves redundant effector systems. How the nervous system selects among the task-equivalent solutions may provide insights into how movement is controlled. We propose a process model of movement generation that accounts for the kinematics of goal-directed pointing movements performed with a redundant arm. The key element is a neuronal dynamics that generates a virtual joint trajectory. This dynamics receives input from a neuronal timer that paces end-effector motion along its path. Within this dynamics, virtual joint velocity vectors that move the end effector are dynamically decoupled from velocity vectors that do not. Moreover, the sensed real joint configuration is coupled back into this neuronal dynamics, updating the virtual trajectory so that it yields to task-equivalent deviations from the dynamic movement plan. Experimental data from participants who perform in the same task setting as the model are compared in detail to the model predictions. We discover that joint velocities contain a substantial amount of self-motion that does not move the end effector. This is caused by the low impedance of muscle joint systems and by coupling among muscle joint systems due to multiarticulatory muscles. Back-coupling amplifies the induced control errors. We establish a link between the amount of self-motion and how curved the end-effector path is. We show that models in which an inverse dynamics cancels interaction torques predict too little self-motion and too straight end-effector paths. PMID:19718817

An Evaluation of Controller and Pilot Performance, Workload and Acceptability under a NextGen Concept for Dynamic Weather Adapted Arrival Routing

NASA Technical Reports Server (NTRS)

Johnson, Walter W.; Lachter, Joel; Brandt, Summer; Koteskey, Robert; Dao, Arik-Quang; Kraut, Josh; Ligda, Sarah; Battiste, Vernol

2012-01-01

In todays terminal operations, controller workload increases and throughput decreases when fixed standard terminal arrival routes (STARs) are impacted by storms. To circumvent this operational constraint, Prete, Krozel, Mitchell, Kim and Zou (2008) proposed to use automation to dynamically adapt arrival and departure routing based on weather predictions. The present study examined this proposal in the context of a NextGen trajectory-based operation concept, focusing on the acceptability and its effect on the controllers ability to manage traffic flows. Six controllers and twelve transport pilots participated in a human-in-the-loop simulation of arrival operations into Louisville International Airport with interval management requirements. Three types of routing structures were used: Static STARs (similar to current routing, which require the trajectories of individual aircraft to be modified to avoid the weather), Dynamic routing (automated adaptive routing around weather), and Dynamic Adjusted routing (automated adaptive routing around weather with aircraft entry time adjusted to account for differences in route length). Spacing Responsibility, whether responsibility for interval management resided with the controllers (as today), or resided with the pilot (who used a flight deck based automated spacing algorithm), was also manipulated. Dynamic routing as a whole was rated superior to static routing, especially by pilots, both in terms of workload reduction and flight path safety. A downside of using dynamic routing was that the paths flown in the dynamic conditions tended to be somewhat longer than the paths flown in the static condition.

Parallel replica dynamics method for bistable stochastic reaction networks: Simulation and sensitivity analysis

NASA Astrophysics Data System (ADS)

Wang, Ting; Plecháč, Petr

2017-12-01

Stochastic reaction networks that exhibit bistable behavior are common in systems biology, materials science, and catalysis. Sampling of stationary distributions is crucial for understanding and characterizing the long-time dynamics of bistable stochastic dynamical systems. However, simulations are often hindered by the insufficient sampling of rare transitions between the two metastable regions. In this paper, we apply the parallel replica method for a continuous time Markov chain in order to improve sampling of the stationary distribution in bistable stochastic reaction networks. The proposed method uses parallel computing to accelerate the sampling of rare transitions. Furthermore, it can be combined with the path-space information bounds for parametric sensitivity analysis. With the proposed methodology, we study three bistable biological networks: the Schlögl model, the genetic switch network, and the enzymatic futile cycle network. We demonstrate the algorithmic speedup achieved in these numerical benchmarks. More significant acceleration is expected when multi-core or graphics processing unit computer architectures and programming tools such as CUDA are employed.

Four dimensional material movies: High speed phase-contrast tomography by backprojection along dynamically curved paths.

PubMed

Ruhlandt, A; Töpperwien, M; Krenkel, M; Mokso, R; Salditt, T

2017-07-26

We present an approach towards four dimensional (4d) movies of materials, showing dynamic processes within the entire 3d structure. The method is based on tomographic reconstruction on dynamically curved paths using a motion model estimated by optical flow techniques, considerably reducing the typical motion artefacts of dynamic tomography. At the same time we exploit x-ray phase contrast based on free propagation to enhance the signal from micron scale structure recorded with illumination times down to a millisecond (ms). The concept is demonstrated by observing the burning process of a match stick in 4d, using high speed synchrotron phase contrast x-ray tomography recordings. The resulting movies reveal the structural changes of the wood cells during the combustion.

Dissolution Dynamic Nuclear Polarization capability study with fluid path

NASA Astrophysics Data System (ADS)

Malinowski, Ronja M.; Lipsø, Kasper W.; Lerche, Mathilde H.; Ardenkjær-Larsen, Jan H.

2016-11-01

Signal enhancement by hyperpolarization is a way of overcoming the low sensitivity in magnetic resonance; MRI in particular. One of the most well-known methods, dissolution Dynamic Nuclear Polarization, has been used clinically in cancer patients. One way of ensuring a low bioburden of the hyperpolarized product is by use of a closed fluid path that constitutes a barrier to contamination. The fluid path can be filled with the pharmaceuticals, i.e. imaging agent and solvents, in a clean room, and then stored or immediately used at the polarizer. In this study, we present a method of filling the fluid path that allows it to be reused. The filling method has been investigated in terms of reproducibility at two extrema, high dose for patient use and low dose for rodent studies, using [1-13C]pyruvate as example. We demonstrate that the filling method allows high reproducibility of six quality control parameters with standard deviations 3-10 times smaller than the acceptance criteria intervals in clinical studies.

Experimental demonstration of spectrum-sliced elastic optical path network (SLICE).

PubMed

Kozicki, Bartłomiej; Takara, Hidehiko; Tsukishima, Yukio; Yoshimatsu, Toshihide; Yonenaga, Kazushige; Jinno, Masahiko

2010-10-11

We describe experimental demonstration of spectrum-sliced elastic optical path network (SLICE) architecture. We employ optical orthogonal frequency-division multiplexing (OFDM) modulation format and bandwidth-variable optical cross-connects (OXC) to generate, transmit and receive optical paths with bandwidths of up to 1 Tb/s. We experimentally demonstrate elastic optical path setup and spectrally-efficient transmission of multiple channels with bit rates ranging from 40 to 140 Gb/s between six nodes of a mesh network. We show dynamic bandwidth scalability for optical paths with bit rates of 40 to 440 Gb/s. Moreover, we demonstrate multihop transmission of a 1 Tb/s optical path over 400 km of standard single-mode fiber (SMF). Finally, we investigate the filtering properties and the required guard band width for spectrally-efficient allocation of optical paths in SLICE.

a Modified Genetic Algorithm for Finding Fuzzy Shortest Paths in Uncertain Networks

NASA Astrophysics Data System (ADS)

Heidari, A. A.; Delavar, M. R.

2016-06-01

In realistic network analysis, there are several uncertainties in the measurements and computation of the arcs and vertices. These uncertainties should also be considered in realizing the shortest path problem (SPP) due to the inherent fuzziness in the body of expert's knowledge. In this paper, we investigated the SPP under uncertainty to evaluate our modified genetic strategy. We improved the performance of genetic algorithm (GA) to investigate a class of shortest path problems on networks with vague arc weights. The solutions of the uncertain SPP with considering fuzzy path lengths are examined and compared in detail. As a robust metaheuristic, GA algorithm is modified and evaluated to tackle the fuzzy SPP (FSPP) with uncertain arcs. For this purpose, first, a dynamic operation is implemented to enrich the exploration/exploitation patterns of the conventional procedure and mitigate the premature convergence of GA technique. Then, the modified GA (MGA) strategy is used to resolve the FSPP. The attained results of the proposed strategy are compared to those of GA with regard to the cost, quality of paths and CPU times. Numerical instances are provided to demonstrate the success of the proposed MGA-FSPP strategy in comparison with GA. The simulations affirm that not only the proposed technique can outperform GA, but also the qualities of the paths are effectively improved. The results clarify that the competence of the proposed GA is preferred in view of quality quantities. The results also demonstrate that the proposed method can efficiently be utilized to handle FSPP in uncertain networks.

Geomagnetic acceleration and rapid hydromagnetic wave dynamics in advanced numerical simulations of the geodynamo

NASA Astrophysics Data System (ADS)

Aubert, Julien

2018-04-01

Geomagnetic secular acceleration, the second temporal derivative of Earth's magnetic field, is a unique window on the dynamics taking place in Earth's core. In this study, the behaviours of the secular acceleration and underlying core dynamics are examined in new numerical simulations of the geodynamo that are dynamically closer to Earth's core conditions than earlier models. These new models reside on a theoretical path in parameter space connecting the region where most classical models are found to the natural conditions. The typical time scale for geomagnetic acceleration is found to be invariant along this path, at a value close to 10 years that matches Earth's core estimates. Despite this invariance, the spatio-temporal properties of secular acceleration show significant variability along the path, with an asymptotic regime of rapid rotation reached after 30% of this path (corresponding to a model Ekman number E = 3 - 7). In this regime, the energy of secular acceleration is entirely found at periods longer than that of planetary rotation, and the underlying flow acceleration patterns acquire a two-dimensional columnar structure representative of the rapid rotation limit. The spatial pattern of the secular acceleration at the core-mantle boundary shows significant localisation of energy within an equatorial belt. Rapid hydromagnetic wave dynamics is absent at the start of the path because of insufficient time scale separation with convective processes, weak forcing and excessive damping but can be clearly exhibited in the asymptotic regime. This study reports on ubiquitous axisymmetric geostrophic torsional waves of weak amplitude relatively to convective transport, and also stronger, laterally limited, quasi-geostrophic Alfvén waves propagating in the cylindrical radial direction from the tip of convective plumes towards the core-mantle boundary. In a system similar to Earth's core where the typical Alfvén velocity is significantly larger than the typical convective velocity, quasi-geostrophic Alfvén waves are shown to be an important carrier of flow acceleration to the core surface that links with the generation of strong, short-lived and intermittent equatorial pulses in the secular acceleration energy. The secular acceleration time scale is shown to be insensitive to magnetic signatures from torsional waves because of their weak amplitude, and from quasi-geostrophic Alfvén waves because of their intermittent character, and is therefore only indicative of convective transport phenomena that remain invariant along the parameter space path.

Dynamic Simulation over Long Time Periods with 100% Solar Generation.

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

Concepcion, Ricky James; Elliott, Ryan Thomas

2015-12-01

This project aimed to identify the path forward for dynamic simulation tools to accommodate these needs by characterizing the properties of power systems (with high PV penetration), analyzing how these properties affect dynamic simulation software, and offering solutions for potential problems.

Four-dimensional analysis by high-speed holographic imaging reveals a chiral memory of sperm flagella.

PubMed

Muschol, Michael; Wenders, Caroline; Wennemuth, Gunther

2018-01-01

Here high-speed Digital Holographic Microscopy (DHM) records sperm flagellar waveforms and swimming paths in 4 dimensions (X, Z, and t). We find flagellar excursions into the Z-plane nearly as large as the envelope of the flagellar waveform projected onto the XY-plane. These Z-plane excursions travel as waves down the flagellum each beat cycle. DHM also tracks the heads of free-swimming sperm and the dynamics and chirality of rolling of sperm around their long axis. We find that mouse sperm roll CW at the maximum positive Z-plane excursion of the head, then roll CCW at the subsequent maximum negative Z-plane excursion. This alternating chirality of rolling indicates sperm have a chiral memory. Procrustes alignments of path trajectories for sequences of roll-counterroll cycles show that path chirality is always CW for the cells analyzed in this study. Human and bull sperm lack distinguishable left and right surfaces, but DHM still indicates coordination of Z-plane excursions and rolling events. We propose that sperm have a chiral memory that resides in a hypothetical elastic linkage within the flagellar machinery, which stores some of the torque required for a CW or CCW roll to reuse in the following counter-roll. Separate mechanisms control path chirality.

Trajectory Generation and Path Planning for Autonomous Aerobots

NASA Technical Reports Server (NTRS)

Sharma, Shivanjli; Kulczycki, Eric A.; Elfes, Alberto

2007-01-01

This paper presents global path planning algorithms for the Titan aerobot based on user defined waypoints in 2D and 3D space. The algorithms were implemented using information obtained through a planner user interface. The trajectory planning algorithms were designed to accurately represent the aerobot's characteristics, such as minimum turning radius. Additionally, trajectory planning techniques were implemented to allow for surveying of a planar area based solely on camera fields of view, airship altitude, and the location of the planar area's perimeter. The developed paths allow for planar navigation and three-dimensional path planning. These calculated trajectories are optimized to produce the shortest possible path while still remaining within realistic bounds of airship dynamics.

Distinct docking and stabilization steps of the Pseudopilus conformational transition path suggest rotational assembly of type IV pilus-like fibers.

PubMed

Nivaskumar, Mangayarkarasi; Bouvier, Guillaume; Campos, Manuel; Nadeau, Nathalie; Yu, Xiong; Egelman, Edward H; Nilges, Michael; Francetic, Olivera

2014-05-06

The closely related bacterial type II secretion (T2S) and type IV pilus (T4P) systems are sophisticated machines that assemble dynamic fibers promoting protein transport, motility, or adhesion. Despite their essential role in virulence, the molecular mechanisms underlying helical fiber assembly remain unknown. Here, we use electron microscopy and flexible modeling to study conformational changes of PulG pili assembled by the Klebsiella oxytoca T2SS. Neural network analysis of 3,900 pilus models suggested a transition path toward low-energy conformations driven by progressive increase in fiber helical twist. Detailed predictions of interprotomer contacts along this path were tested by site-directed mutagenesis, pilus assembly, and protein secretion analyses. We demonstrate that electrostatic interactions between adjacent protomers (P-P+1) in the membrane drive pseudopilin docking, while P-P+3 and P-P+4 contacts determine downstream fiber stabilization steps. These results support a model of a spool-like assembly mechanism for fibers of the T2SS-T4P superfamily. Copyright © 2014 Elsevier Ltd. All rights reserved.

Distinct docking and stabilization steps of the pseudopilus conformational transition path suggest rotational assembly of type IV pilus-like fibers

PubMed Central

Nivaskumar, Mangayarkarasi; Bouvier, Guillaume; Campos, Manuel; Nadeau, Nathalie; Yu, Xiong; Egelman, Edward H.; Nilges, Michael; Francetic, Olivera

2014-01-01

SUMMARY The closely related bacterial type II secretion (T2S) and type IV pilus (T4P) systems are sophisticated machines that assemble dynamic fibers promoting protein transport, motility or adhesion. Despite their essential role in virulence, the molecular mechanisms underlying helical fiber assembly remain unknown. Here we use electron microscopy and flexible modeling to study conformational changes of PulG pili assembled by the Klebsiella oxytoca T2SS. Neural network analysis of 3900 pilus models suggested a transition path towards low-energy conformations driven by progressive increase in fiber helical twist. Detailed predictions of inter-protomer contacts along this path were tested by site-directed mutagenesis, pilus assembly and protein secretion analyses. We demonstrate that electrostatic interactions between adjacent protomers (P-P+1) in the membrane drive pseudopilin docking, while P-P+3 and P-P+4 contacts determine downstream fiber stabilization steps. These results support a new model of a spool-like assembly mechanism for fibers of the T2SS-T4P superfamily. PMID:24685147

Vibration Analysis of a Split Path Gearbox

NASA Technical Reports Server (NTRS)

Krantz, Timothy L.; Rashidi, Majid

1995-01-01

Split path gearboxes can be attractive alternatives to the common planetary designs for rotorcraft, but because they have seen little use, they are relatively high risk designs. To help reduce the risk of fielding a rotorcraft with a split path gearbox, the vibration and dynamic characteristics of such a gearbox were studied. A mathematical model was developed by using the Lagrangian method, and it was applied to study the effect of three design variables on the natural frequencies and vibration energy of the gearbox. The first design variable, shaft angle, had little influence on the natural frequencies. The second variable, mesh phasing, had a strong effect on the levels of vibration energy, with phase angles of 0 deg and 180 deg producing low vibration levels. The third design variable, the stiffness of the shafts connecting the spur gears to the helical pinions, strongly influenced the natural frequencies of some of the vibration modes, including two of the dominant modes. We found that, to achieve the lowest level of vibration energy, the natural frequencies of these two dominant modes should be less than those of the main excitation sources.

Dynamics control of autonomous vehicle at driving limits and experiment on an autonomous formula racing car

NASA Astrophysics Data System (ADS)

Ni, Jun; Hu, Jibin

2017-06-01

In this paper, a novel dynamics controller for autonomous vehicle to simultaneously control it to the driving limits and follow the desired path is proposed. The dynamics controller consists of longitudinal and lateral controllers. In longitudinal controller, the G-G diagram is utilized to describe the driving and handling limits of the vehicle. The accurate G-G diagram is obtained based on phase plane approach and a nonlinear vehicle dynamic model with accurate tyre model. In lateral controller, the tyre cornering stiffness is estimated to improve the robustness of the controller. The stability analysis of the closed-looped error dynamics shows that the controller remains stable against parameters uncertainties in extreme condition such as tyre saturation. Finally, an electric autonomous Formula race car developed by the authors is used to validate the proposed controller. The autonomous driving experiment on an oval race track shows the efficiency and robustness of the proposed controller.

Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H 2O) 4 on a semiempirical potential energy surface

NASA Astrophysics Data System (ADS)

Takayanagi, Toshiyuki; Takahashi, Kenta; Kakizaki, Akira; Shiga, Motoyuki; Tachikawa, Masanori

2009-04-01

Path-integral molecular dynamics simulations for the HCl(H 2O) 4 cluster have been performed on the ground-state potential energy surface directly obtained on-the-fly from semiempirical PM3-MAIS molecular orbital calculations. It is found that the HCl(H 2O) 4 cluster has structural rearrangement above the temperature of 300 K showing a liquid-like behavior. Quantum mechanical fluctuation of hydrogen nuclei plays a significant role in structural arrangement processes in this cluster.

MRI-based dynamic tracking of an untethered ferromagnetic microcapsule navigating in liquid

NASA Astrophysics Data System (ADS)

Dahmen, Christian; Belharet, Karim; Folio, David; Ferreira, Antoine; Fatikow, Sergej

2016-04-01

The propulsion of ferromagnetic objects by means of MRI gradients is a promising approach to enable new forms of therapy. In this work, necessary techniques are presented to make this approach work. This includes path planning algorithms working on MRI data, ferromagnetic artifact imaging and a tracking algorithm which delivers position feedback for the ferromagnetic objects, and a propulsion sequence to enable interleaved magnetic propulsion and imaging. Using a dedicated software environment, integrating path-planning methods and real-time tracking, a clinical MRI system is adapted to provide this new functionality for controlled interventional targeted therapeutic applications. Through MRI-based sensing analysis, this article aims to propose a framework to plan a robust pathway to enhance the navigation ability to reach deep locations in the human body. The proposed approaches are validated with different experiments.

Dynamic Balance Deficits 6 Months Following First-Time Acute Lateral Ankle Sprain: A Laboratory Analysis.

PubMed

Doherty, Cailbhe; Bleakley, Chris; Hertel, Jay; Caulfield, Brian; Ryan, John; Delahunt, Eamonn

2015-08-01

Controlled laboratory study. To utilize kinematic and stabilometric measures to compare dynamic balance during performance of the Star Excursion Balance Test between persons 6 months following first-time lateral ankle sprain (LAS) and a noninjured control group. Biomechanical evaluation of dynamic balance in persons following first-time LAS during performance of the Star Excursion Balance Test could provide insight into the mechanisms by which individuals proceed to recover fully or develop chronic ankle instability. Sagittal plane kinematics of the lower extremity and the center-of-pressure path during the performance of the anterior, posterolateral, and posteromedial reach directions of the Star Excursion Balance Test were obtained from 69 participants 6 months following first-time acute LAS and from a control group of 20 noninjured participants. Compared to the control group, the LAS group displayed lower normalized reach distances in all 3 reach directions on the injured and noninjured limbs, with the largest observed effect size in the posterolateral direction (P = .001, ηp(2) = 0.07). The performance impairment was associated with less hip and knee flexion and ankle dorsiflexion at the point of maximum reach (P<.02), and coincided with less complexity of the center-of-pressure path (P<.05). Participants with a 6-month history of LAS exhibit a persistence of deficits previously established in the acute phase of injury.

Oxygen Carbon Dynamics within the Hyporheic Zone of a Headwater Stream

NASA Astrophysics Data System (ADS)

Pennington, R.; Haggerty, R.; Wondzell, S. M.; Serchan, S. P.; Reeder, W. J.; Tonina, D.

2016-12-01

Streams and rivers influence global carbon fluxes; on an aerial basis, they have disproportionately high export rates compared to land. Various mechanisms exist for the movement of terrestrially derived carbon to the stream network including transport of organic and inorganic carbon with groundwater and hillslope runoff. A secondary process that has received little attention is carbon dynamics of hyporheic flow along flow paths that pass beneath the vegetated riparian zone. Through use of high frequency monitoring of dissolved inorganic carbon and dissolved oxygen we find that the riparian zone is a net source of carbon throughout the year. Increases in DIC relative stream water are generally more than double decreases in O2 on a molar basis. Metabolic quotients of C to O2 are close to 1.0, therefore respiration of dissolved or particulate organic carbon along flow paths would result in an equal magnitude increase in inorganic carbon to decrease in O2. Diffusion from the high CO2 soil atmosphere into hyporheic water has been considered, however 2-D reactive transport modeling using PFLOTRAN indicates that soil diffusion processes are unlikely to produce observed increases in carbon and that alternative transport mechanisms including root respiration or diel water level fluctuations are necessary for mass balance. Results of the analysis will feed into a comprehensive distributed model of the system that explores carbon dynamics at the reach scale.

Local and global dynamics of Ramsey model: From continuous to discrete time.

PubMed

Guzowska, Malgorzata; Michetti, Elisabetta

2018-05-01

The choice of time as a discrete or continuous variable may radically affect equilibrium stability in an endogenous growth model with durable consumption. In the continuous-time Ramsey model [F. P. Ramsey, Econ. J. 38(152), 543-559 (1928)], the steady state is locally saddle-path stable with monotonic convergence. However, in the discrete-time version, the steady state may be unstable or saddle-path stable with monotonic or oscillatory convergence or periodic solutions [see R.-A. Dana et al., Handbook on Optimal Growth 1 (Springer, 2006) and G. Sorger, Working Paper No. 1505 (2015)]. When this occurs, the discrete-time counterpart of the continuous-time model is not consistent with the initial framework. In order to obtain a discrete-time Ramsey model preserving the main properties of the continuous-time counterpart, we use a general backward and forward discretisation as initially proposed by Bosi and Ragot [Theor. Econ. Lett. 2(1), 10-15 (2012)]. The main result of the study here presented is that, with this hybrid discretisation method, fixed points and local dynamics do not change. For what it concerns global dynamics, i.e., long-run behavior for initial conditions taken on the state space, we mainly perform numerical analysis with the main scope of comparing both qualitative and quantitative evolution of the two systems, also varying some parameters of interest.

Local and global dynamics of Ramsey model: From continuous to discrete time

NASA Astrophysics Data System (ADS)

Guzowska, Malgorzata; Michetti, Elisabetta

2018-05-01

The choice of time as a discrete or continuous variable may radically affect equilibrium stability in an endogenous growth model with durable consumption. In the continuous-time Ramsey model [F. P. Ramsey, Econ. J. 38(152), 543-559 (1928)], the steady state is locally saddle-path stable with monotonic convergence. However, in the discrete-time version, the steady state may be unstable or saddle-path stable with monotonic or oscillatory convergence or periodic solutions [see R.-A. Dana et al., Handbook on Optimal Growth 1 (Springer, 2006) and G. Sorger, Working Paper No. 1505 (2015)]. When this occurs, the discrete-time counterpart of the continuous-time model is not consistent with the initial framework. In order to obtain a discrete-time Ramsey model preserving the main properties of the continuous-time counterpart, we use a general backward and forward discretisation as initially proposed by Bosi and Ragot [Theor. Econ. Lett. 2(1), 10-15 (2012)]. The main result of the study here presented is that, with this hybrid discretisation method, fixed points and local dynamics do not change. For what it concerns global dynamics, i.e., long-run behavior for initial conditions taken on the state space, we mainly perform numerical analysis with the main scope of comparing both qualitative and quantitative evolution of the two systems, also varying some parameters of interest.

Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics

NASA Astrophysics Data System (ADS)

Tao, Xuecheng; Shushkov, Philip; Miller, Thomas F.

2018-03-01

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. We present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.

Transition path time distributions

NASA Astrophysics Data System (ADS)

Laleman, M.; Carlon, E.; Orland, H.

2017-12-01

Biomolecular folding, at least in simple systems, can be described as a two state transition in a free energy landscape with two deep wells separated by a high barrier. Transition paths are the short part of the trajectories that cross the barrier. Average transition path times and, recently, their full probability distribution have been measured for several biomolecular systems, e.g., in the folding of nucleic acids or proteins. Motivated by these experiments, we have calculated the full transition path time distribution for a single stochastic particle crossing a parabolic barrier, including inertial terms which were neglected in previous studies. These terms influence the short time scale dynamics of a stochastic system and can be of experimental relevance in view of the short duration of transition paths. We derive the full transition path time distribution as well as the average transition path times and discuss the similarities and differences with the high friction limit.

Cooperative path planning for multi-USV based on improved artificial bee colony algorithm

NASA Astrophysics Data System (ADS)

Cao, Lu; Chen, Qiwei

2018-03-01

Due to the complex constraints, more uncertain factors and critical real-time demand of path planning for multiple unmanned surface vehicle (multi-USV), an improved artificial bee colony (I-ABC) algorithm were proposed to solve the model of cooperative path planning for multi-USV. First the Voronoi diagram of battle field space is conceived to generate the optimal area of USVs paths. Then the chaotic searching algorithm is used to initialize the collection of paths, which is regard as foods of the ABC algorithm. With the limited data, the initial collection can search the optimal area of paths perfectly. Finally simulations of the multi-USV path planning under various threats have been carried out. Simulation results verify that the I-ABC algorithm can improve the diversity of nectar source and the convergence rate of algorithm. It can increase the adaptability of dynamic battlefield and unexpected threats for USV.

A Dynamic Bioinspired Neural Network Based Real-Time Path Planning Method for Autonomous Underwater Vehicles

PubMed Central

2017-01-01

Real-time path planning for autonomous underwater vehicle (AUV) is a very difficult and challenging task. Bioinspired neural network (BINN) has been used to deal with this problem for its many distinct advantages: that is, no learning process is needed and realization is also easy. However, there are some shortcomings when BINN is applied to AUV path planning in a three-dimensional (3D) unknown environment, including complex computing problem when the environment is very large and repeated path problem when the size of obstacles is bigger than the detection range of sensors. To deal with these problems, an improved dynamic BINN is proposed in this paper. In this proposed method, the AUV is regarded as the core of the BINN and the size of the BINN is based on the detection range of sensors. Then the BINN will move with the AUV and the computing could be reduced. A virtual target is proposed in the path planning method to ensure that the AUV can move to the real target effectively and avoid big-size obstacles automatically. Furthermore, a target attractor concept is introduced to improve the computing efficiency of neural activities. Finally, some experiments are conducted under various 3D underwater environments. The experimental results show that the proposed BINN based method can deal with the real-time path planning problem for AUV efficiently. PMID:28255297

A Dynamic Bioinspired Neural Network Based Real-Time Path Planning Method for Autonomous Underwater Vehicles.

PubMed

Ni, Jianjun; Wu, Liuying; Shi, Pengfei; Yang, Simon X

2017-01-01

Real-time path planning for autonomous underwater vehicle (AUV) is a very difficult and challenging task. Bioinspired neural network (BINN) has been used to deal with this problem for its many distinct advantages: that is, no learning process is needed and realization is also easy. However, there are some shortcomings when BINN is applied to AUV path planning in a three-dimensional (3D) unknown environment, including complex computing problem when the environment is very large and repeated path problem when the size of obstacles is bigger than the detection range of sensors. To deal with these problems, an improved dynamic BINN is proposed in this paper. In this proposed method, the AUV is regarded as the core of the BINN and the size of the BINN is based on the detection range of sensors. Then the BINN will move with the AUV and the computing could be reduced. A virtual target is proposed in the path planning method to ensure that the AUV can move to the real target effectively and avoid big-size obstacles automatically. Furthermore, a target attractor concept is introduced to improve the computing efficiency of neural activities. Finally, some experiments are conducted under various 3D underwater environments. The experimental results show that the proposed BINN based method can deal with the real-time path planning problem for AUV efficiently.

Temporal variation of meandering intensity and domain-wide lateral oscillations of the Gulf Stream

NASA Technical Reports Server (NTRS)

Lee, Tong; Cornillon, Peter

1995-01-01

The path of the Gulf Stream exhibits two modes of variability: wavelike spatial meanders associated with instability processes and large-sale lateral shifts of the path presumably due to atmospheric forcing. The objectives of this study are to examine the temporal variation of the intensity of spatial meandering in the stream, to characterize large-scale lateral oscillations in the stream's path, and to study the correlation betwen these two dynamically distinct modes of variability. The data used for this analysis are path displacemets ofthe Gulf Stream between 75 deg and 60 deg W obtained from AVHRR-derived (Advanced Very High Resolution Radiometer) infrared images for the period April 1982 through December 1989. Meandering intensity, measured by the spatial root-mean-sqaure displacement of the stream path, displays a 9-month dominant periodicity which is persistent through the study period. The 9-month fluctuation in meandering intensity may be related to the interaction of Rosseby waves with the stream. Interannual variation of meandering intensity is also found to be significant, with meandering being mich more intense during 1985 than it was in 1987. Annual variation, however,is weak and not well-defined.The spatially averaged position of the stream, which reflects nonmeandering large-scale lateral oscillations of the stream path, is dominated by an annual cycle. On average, the mean position is farthest north in November and farthest south in April. The first empirical orthogonal function mode of the space-time path displacements represents lateral oscillatins that are in-phase over the space-time domain. Interannual oscillations are also observed and are found to be weaker than the annual oscillation. The eigenvalue of the first mode indicates that about 21.5% of the total space-time variability of the stream path can be attibuted to domain-wide lateral oscillation. The correlation between meandering intensity and domain-wide lateral oscillations is very weak.

An Optimization Principle for Deriving Nonequilibrium Statistical Models of Hamiltonian Dynamics

NASA Astrophysics Data System (ADS)

Turkington, Bruce

2013-08-01

A general method for deriving closed reduced models of Hamiltonian dynamical systems is developed using techniques from optimization and statistical estimation. Given a vector of resolved variables, selected to describe the macroscopic state of the system, a family of quasi-equilibrium probability densities on phase space corresponding to the resolved variables is employed as a statistical model, and the evolution of the mean resolved vector is estimated by optimizing over paths of these densities. Specifically, a cost function is constructed to quantify the lack-of-fit to the microscopic dynamics of any feasible path of densities from the statistical model; it is an ensemble-averaged, weighted, squared-norm of the residual that results from submitting the path of densities to the Liouville equation. The path that minimizes the time integral of the cost function determines the best-fit evolution of the mean resolved vector. The closed reduced equations satisfied by the optimal path are derived by Hamilton-Jacobi theory. When expressed in terms of the macroscopic variables, these equations have the generic structure of governing equations for nonequilibrium thermodynamics. In particular, the value function for the optimization principle coincides with the dissipation potential that defines the relation between thermodynamic forces and fluxes. The adjustable closure parameters in the best-fit reduced equations depend explicitly on the arbitrary weights that enter into the lack-of-fit cost function. Two particular model reductions are outlined to illustrate the general method. In each example the set of weights in the optimization principle contracts into a single effective closure parameter.

Invariant density analysis: modeling and analysis of the postural control system using Markov chains.

PubMed

Hur, Pilwon; Shorter, K Alex; Mehta, Prashant G; Hsiao-Wecksler, Elizabeth T

2012-04-01

In this paper, a novel analysis technique, invariant density analysis (IDA), is introduced. IDA quantifies steady-state behavior of the postural control system using center of pressure (COP) data collected during quiet standing. IDA relies on the analysis of a reduced-order finite Markov model to characterize stochastic behavior observed during postural sway. Five IDA parameters characterize the model and offer physiological insight into the long-term dynamical behavior of the postural control system. Two studies were performed to demonstrate the efficacy of IDA. Study 1 showed that multiple short trials can be concatenated to create a dataset suitable for IDA. Study 2 demonstrated that IDA was effective at distinguishing age-related differences in postural control behavior between young, middle-aged, and older adults. These results suggest that the postural control system of young adults converges more quickly to their steady-state behavior while maintaining COP nearer an overall centroid than either the middle-aged or older adults. Additionally, larger entropy values for older adults indicate that their COP follows a more stochastic path, while smaller entropy values for young adults indicate a more deterministic path. These results illustrate the potential of IDA as a quantitative tool for the assessment of the quiet-standing postural control system.

A new method for solving routing and wavelength assignment problems under inaccurate routing information in optical networks with conversion capability

NASA Astrophysics Data System (ADS)

Luo, Yanting; Zhang, Yongjun; Gu, Wanyi

2009-11-01

In large dynamic networks it is extremely difficult to maintain accurate routing information on all network nodes. The existing studies have illustrated the impact of imprecise state information on the performance of dynamic routing and wavelength assignment (RWA) algorithms. An algorithm called Bypass Based Optical Routing (BBOR) proposed by Xavier Masip-Bruin et al can reduce the effects of having inaccurate routing information in networks operating under the wavelength-continuity constraint. Then they extended the BBOR mechanism (for convenience it's called EBBOR mechanism below) to be applied to the networks with sparse and limited wavelength conversion. But it only considers the characteristic of wavelength conversion in the step of computing the bypass-paths so that its performance may decline with increasing the degree of wavelength translation (this concept will be explained in the section of introduction again). We will demonstrate the issue through theoretical analysis and introduce a novel algorithm which modifies both the lightpath selection and the bypass-paths computation in comparison to EBBOR algorithm. Simulations show that the Modified EBBOR (MEBBOR) algorithm improves the blocking performance significantly in optical networks with Conversion Capability.

Dynamic Speed Adaptation for Path Tracking Based on Curvature Information and Speed Limits.

PubMed

Gámez Serna, Citlalli; Ruichek, Yassine

2017-06-14

A critical concern of autonomous vehicles is safety. Different approaches have tried to enhance driving safety to reduce the number of fatal crashes and severe injuries. As an example, Intelligent Speed Adaptation (ISA) systems warn the driver when the vehicle exceeds the recommended speed limit. However, these systems only take into account fixed speed limits without considering factors like road geometry. In this paper, we consider road curvature with speed limits to automatically adjust vehicle's speed with the ideal one through our proposed Dynamic Speed Adaptation (DSA) method. Furthermore, 'curve analysis extraction' and 'speed limits database creation' are also part of our contribution. An algorithm that analyzes GPS information off-line identifies high curvature segments and estimates the speed for each curve. The speed limit database contains information about the different speed limit zones for each traveled path. Our DSA senses speed limits and curves of the road using GPS information and ensures smooth speed transitions between current and ideal speeds. Through experimental simulations with different control algorithms on real and simulated datasets, we prove that our method is able to significantly reduce lateral errors on sharp curves, to respect speed limits and consequently increase safety and comfort for the passenger.

Tilted hexagonal post arrays: DNA electrophoresis in anisotropic media.

PubMed

Chen, Zhen; Dorfman, Kevin D

2014-02-01

Using Brownian dynamics simulations, we show that DNA electrophoresis in a hexagonal array of micron-sized posts changes qualitatively when the applied electric field vector is not coincident with the lattice vectors of the array. DNA electrophoresis in such "tilted" post arrays is superior to the standard "un-tilted" approach; while the time required to achieve a resolution of unity in a tilted post array is similar to an un-tilted array at a low-electric field strengths, this time (i) decreases exponentially with electric field strength in a tilted array and (ii) increases exponentially with electric field strength in an un-tilted array. Although the DNA dynamics in a post array are complicated, the electrophoretic mobility results indicate that the "free path," i.e. the average distance of ballistic trajectories of point-sized particles launched from random positions in the unit cell until they intersect the next post, is a useful proxy for the detailed DNA trajectories. The analysis of the free path reveals a fundamental connection between anisotropy of the medium and DNA transport therein that goes beyond simply improving the separation device. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Implementation of Speed Variation in the Structural Dynamic Assessment of Turbomachinery Flow-Path Components

NASA Technical Reports Server (NTRS)

Brown, Andrew M.; Davis, R. Benjamin; DeHaye, Michael

2013-01-01

During the design of turbomachinery flow path components, the assessment of possible structural resonant conditions is critical. Higher frequency modes of these structures are frequently found to be subject to resonance, and in these cases, design criteria require a forced response analysis of the structure with the assumption that the excitation speed exactly equals the resonant frequency. The design becomes problematic if the response analysis shows a violation of the HCF criteria. One possible solution is to perform "finite-life" analysis, where Miner's rule is used to calculate the actual life in seconds in comparison to the required life. In this situation, it is beneficial to incorporate the fact that, for a variety of turbomachinery control reasons, the speed of the rotor does not actually dwell at a single value but instead dithers about a nominal mean speed and during the time that the excitation frequency is not equal to the resonant frequency, the damage accumulated by the structure is diminished significantly. Building on previous investigations into this process, we show that a steady-state assumption of the response is extremely accurate for this typical case, resulting in the ability to quickly account for speed variation in the finite-life analysis of a component which has previously had its peak dynamic stress at resonance calculated. A technique using Monte Carlo simulation is also presented which can be used when specific speed time histories are not available. The implementation of these techniques can prove critical for successful turbopump design, as the improvement in life when speed variation is considered is shown to be greater than a factor of two

Mapping mechanical force propagation through biomolecular complexes

DOE PAGES

Schoeler, Constantin; Bernardi, Rafael C.; Malinowska, Klara H.; ...

2015-08-11

In this paper, we employ single-molecule force spectroscopy with an atomic force microscope (AFM) and steered molecular dynamics (SMD) simulations to reveal force propagation pathways through a mechanically ultrastable multidomain cellulosome protein complex. We demonstrate a new combination of network-based correlation analysis supported by AFM directional pulling experiments, which allowed us to visualize stiff paths through the protein complex along which force is transmitted. Finally, the results implicate specific force-propagation routes nonparallel to the pulling axis that are advantageous for achieving high dissociation forces.

Dynamic Testing of the NASA Hypersonic Project Combined Cycle Engine Testbed for Mode Transition Experiments

NASA Technical Reports Server (NTRS)

2011-01-01

NASA is interested in developing technology that leads to more routine, safe, and affordable access to space. Access to space using airbreathing propulsion systems has potential to meet these objectives based on Airbreathing Access to Space (AAS) system studies. To this end, the NASA Fundamental Aeronautics Program (FAP) Hypersonic Project is conducting fundamental research on a Turbine Based Combined Cycle (TBCC) propulsion system. The TBCC being studied considers a dual flow-path inlet system. One flow-path includes variable geometry to regulate airflow to a turbine engine cycle. The turbine cycle provides propulsion from take-off to supersonic flight. The second flow-path supports a dual-mode scramjet (DMSJ) cycle which would be initiated at supersonic speed to further accelerate the vehicle to hypersonic speed. For a TBCC propulsion system to accelerate a vehicle from supersonic to hypersonic speed, a critical enabling technology is the ability to safely and effectively transition from the turbine to the DMSJ-referred to as mode transition. To experimentally test methods of mode transition, a Combined Cycle Engine (CCE) Large-scale Inlet testbed was designed with two flow paths-a low speed flow-path sized for a turbine cycle and a high speed flow-path designed for a DMSJ. This testbed system is identified as the CCE Large-Scale Inlet for Mode Transition studies (CCE-LIMX). The test plan for the CCE-LIMX in the NASA Glenn Research Center (GRC) 10- by 10-ft Supersonic Wind Tunnel (10x10 SWT) is segmented into multiple phases. The first phase is a matrix of inlet characterization (IC) tests to evaluate the inlet performance and establish the mode transition schedule. The second phase is a matrix of dynamic system identification (SysID) experiments designed to support closed-loop control development at mode transition schedule operating points for the CCE-LIMX. The third phase includes a direct demonstration of controlled mode transition using a closed loop control system developed with the data obtained from the first two phases. Plans for a fourth phase include mode transition experiments with a turbine engine. This paper, focusing on the first two phases of experiments, presents developed operational and analysis tools for streamlined testing and data reduction procedures.

A simplified rotor system mathematical model for piloted flight dynamics simulation

NASA Technical Reports Server (NTRS)

Chen, R. T. N.

1979-01-01

The model was developed for real-time pilot-in-the-loop investigation of helicopter flying qualities. The mathematical model included the tip-path plane dynamics and several primary rotor design parameters, such as flapping hinge restraint, flapping hinge offset, blade Lock number, and pitch-flap coupling. The model was used in several exploratory studies of the flying qualities of helicopters with a variety of rotor systems. The basic assumptions used and the major steps involved in the development of the set of equations listed are described. The equations consisted of the tip-path plane dynamic equation, the equations for the main rotor forces and moments, and the equation for control phasing required to achieve decoupling in pitch and roll due to cyclic inputs.

Release Path Temperatures of Shock-Compressed Tin from Dynamic Reflectance and Radiance Measurements

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

La Lone, B. M.; Stevens, G. D.; Turley, W. D.

2013-08-01

Dynamic reflectance and radiance measurements were conducted for tin samples shock compressed to 35 GPa and released to 15 GPa using high explosives. We determined the reflectance of the tin samples glued to lithium fluoride windows using an integrating sphere with an internal xenon flashlamp as an illumination source. The dynamic reflectance (R) was determined at near normal incidence in four spectral bands with coverage in visible and near-infrared spectra. Uncertainties in R/R0 are < 2%, and uncertainties in absolute reflectance are < 5%. In complementary experiments, thermal radiance from the tin/glue/lithium fluoride interface was recorded with similar shock stressmore » and spectral coverage as the reflectance measurements. The two sets of experiments were combined to obtain the temperature history of the tin surface with an uncertainty of < 2%. The stress at the interface was determined from photonic Doppler velocimetry and combined with the temperatures to obtain temperature-stress release paths for tin. We discuss the relationship between the experimental release paths and release isentropes that begin on the principal shock Hugoniot.« less

Proton and electron mean free paths: The Palmer consensus revisited

NASA Technical Reports Server (NTRS)

Bieber, John W.; Matthaeus, William H.; Smith, Charles W.; Wanner, Wolfgang; Kallenrode, May-Britt; Wibberenz, Gerd

1994-01-01

We present experimental and theoretical evidence suggesting that the mean free path of cosmic-ray electrons and protons may be fundamentally different at low to intermediate (less than 50 MV) rigidities. The experimental evidence is from Helios observations of solar energetic particles, which show that the mean free path of 1.4 MV electrons is often similar to that of 187 MV protons, even though proton mean free paths continue to decrease comparatively rapidly with decreasing rigidty down to the lowest channels (about 100 MV) observed. The theoretical evidence is from computations of particle scattering in dynamical magnetic turbulence, which predict that electrons will have a larger mean free path than protons of the same rigidity. In the light of these new results, 'consensus' ideas about cosmic-ray mean free paths may require drastic revision.

Brazilian spatial dynamics in the long term (1872-2000): ``path dependency'' or ``reversal of fortune''?

NASA Astrophysics Data System (ADS)

Monasterio, Leonardo Monteiro

2010-03-01

This paper analyzes the spatial dynamics of Brazilian regional inequalities between 1872 and 2000 using contemporary tools. The first part of the paper provides new estimates of income per capita in 1872 by municipality using census and electoral information on income by occupation. The level of analysis is the Minimum Comparable Areas 1872-2000 developed by Reis et al. (Áreas mínimas comparáveis para os períodos intercensitários de 1872 a 2000, 2007). These areas are the least aggregation of adjacent municipalities required to allow consistent geographic area comparisons between census years. In the second section of the paper, Exploratory Spatial Data Analysis, Markov chains and stochastic kernel techniques (spatially conditioned) are applied to the dataset. The results suggest that, in broad terms, the spatial pattern of income distribution in Brazil during that period of time has remained stable.

Quantum circuit dynamics via path integrals: Is there a classical action for discrete-time paths?

NASA Astrophysics Data System (ADS)

Penney, Mark D.; Enshan Koh, Dax; Spekkens, Robert W.

2017-07-01

It is straightforward to compute the transition amplitudes of a quantum circuit using the sum-over-paths methodology when the gates in the circuit are balanced, where a balanced gate is one for which all non-zero transition amplitudes are of equal magnitude. Here we consider the question of whether, for such circuits, the relative phases of different discrete-time paths through the configuration space can be defined in terms of a classical action, as they are for continuous-time paths. We show how to do so for certain kinds of quantum circuits, namely, Clifford circuits where the elementary systems are continuous-variable systems or discrete systems of odd-prime dimension. These types of circuit are distinguished by having phase-space representations that serve to define their classical counterparts. For discrete systems, the phase-space coordinates are also discrete variables. We show that for each gate in the generating set, one can associate a symplectomorphism on the phase-space and to each of these one can associate a generating function, defined on two copies of the configuration space. For discrete systems, the latter association is achieved using tools from algebraic geometry. Finally, we show that if the action functional for a discrete-time path through a sequence of gates is defined using the sum of the corresponding generating functions, then it yields the correct relative phases for the path-sum expression. These results are likely to be relevant for quantizing physical theories where time is fundamentally discrete, characterizing the classical limit of discrete-time quantum dynamics, and proving complexity results for quantum circuits.

Graph-based analysis of kinetics on multidimensional potential-energy surfaces.

PubMed

Okushima, T; Niiyama, T; Ikeda, K S; Shimizu, Y

2009-09-01

The aim of this paper is twofold: one is to give a detailed description of an alternative graph-based analysis method, which we call saddle connectivity graph, for analyzing the global topography and the dynamical properties of many-dimensional potential-energy landscapes and the other is to give examples of applications of this method in the analysis of the kinetics of realistic systems. A Dijkstra-type shortest path algorithm is proposed to extract dynamically dominant transition pathways by kinetically defining transition costs. The applicability of this approach is first confirmed by an illustrative example of a low-dimensional random potential. We then show that a coarse-graining procedure tailored for saddle connectivity graphs can be used to obtain the kinetic properties of 13- and 38-atom Lennard-Jones clusters. The coarse-graining method not only reduces the complexity of the graphs, but also, with iterative use, reveals a self-similar hierarchical structure in these clusters. We also propose that the self-similarity is common to many-atom Lennard-Jones clusters.

Theoretical transient analysis of a hearing aid feedback canceller with a saturation type nonlinearity in the direct path.

PubMed

Costa, Márcio Holsbach

2017-12-01

Feedback cancellation in a hearing aid is essential for achieving high maximum stable gain to compensate for the losses in severe to profound hearing impaired people. The performance of adaptive feedback cancellers has been studied by assuming that the feedback path can be modeled as a linear system. However, limited dynamic range, low-cost loudspeakers, and nonlinear power amplifiers may distort the hearing aid output signal. In this way, linear-based predictions of the canceller performance may lead to significant deviations from its actual behavior. This work presents a theoretical performance analysis of a Least Mean Square based shadow filter that is applied to set up the coefficients of a feedback canceller, which is subject to a static saturation type nonlinearity at the output of the direct path. Deterministic recursive equations are derived to predict the mean square feedback error and the mean coefficient vector evolution between updates of the feedback canceller. These models are defined as functions of the canceller parameters and input signal statistics. Comparisons with Monte Carlo simulations show the provided models are highly accurate under the considered assumptions. The developed models allow inferences about the potential impact of an overdriven loudspeaker over the transient performance of the direct method feedback canceller, serving as insightful tools for understanding the involved mechanisms. Copyright © 2017 Elsevier Ltd. All rights reserved.

Providing Career Guidance to Adolescents through Digital Games: A Case Study

ERIC Educational Resources Information Center

Dunwell, Ian; Lameras, Petros; de Freitas, Sara; Petridis, Panos; Hendrix, Maurice; Arnab, Sylvester; Star, Kam

2014-01-01

In an evolving global workplace, it is increasingly important for graduates and school-leavers to possess an understanding of the job market, their relevant skills, and career progression paths. However, both the marketplace and career paths are becoming increasingly dynamic, with employees more frequently moving between sectors and positions than…

Dissolution Dynamic Nuclear Polarization capability study with fluid path.

PubMed

Malinowski, Ronja M; Lipsø, Kasper W; Lerche, Mathilde H; Ardenkjær-Larsen, Jan H

2016-11-01

Signal enhancement by hyperpolarization is a way of overcoming the low sensitivity in magnetic resonance; MRI in particular. One of the most well-known methods, dissolution Dynamic Nuclear Polarization, has been used clinically in cancer patients. One way of ensuring a low bioburden of the hyperpolarized product is by use of a closed fluid path that constitutes a barrier to contamination. The fluid path can be filled with the pharmaceuticals, i.e. imaging agent and solvents, in a clean room, and then stored or immediately used at the polarizer. In this study, we present a method of filling the fluid path that allows it to be reused. The filling method has been investigated in terms of reproducibility at two extrema, high dose for patient use and low dose for rodent studies, using [1-13C]pyruvate as example. We demonstrate that the filling method allows high reproducibility of six quality control parameters with standard deviations 3-10 times smaller than the acceptance criteria intervals in clinical studies. Copyright © 2016 Elsevier Inc. All rights reserved.

Ensuring critical event sequences in high consequence computer based systems as inspired by path expressions

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

Kidd, M.E.C.

1997-02-01

The goal of our work is to provide a high level of confidence that critical software driven event sequences are maintained in the face of hardware failures, malevolent attacks and harsh or unstable operating environments. This will be accomplished by providing dynamic fault management measures directly to the software developer and to their varied development environments. The methodology employed here is inspired by previous work in path expressions. This paper discusses the perceived problems, a brief overview of path expressions, the proposed methods, and a discussion of the differences between the proposed methods and traditional path expression usage and implementation.

Kinematic analysis of total knee prosthesis designed for Asian population.

PubMed

Low, F H; Khoo, L P; Chua, C K; Lo, N N

2000-01-01

In designing a total knee replacement (TKR) prosthesis catering for the Asian population, 62 sets of femur were harvested and analyzed. The morphometrical data obtained were found to be in good agreement with dimensions typical of the Asian knee and has reaffirmed the fact that Caucasian knees are generally larger than Asian knees. Subsequently, these data when treated using a multivariate statistical technique resulted in the establishment of major design parameters for six different sizes of femoral implants. An extra-small implant size with established dimensions and geometrical shape has surfaced from the study. The differences between the Asian knees and the Caucasian knees are discussed. Employing the established femoral dimensions and motion path of the knee joint, the articulating tibia profile was generated. All the sizes of implants were modeled using a computer-aided software package. Thereupon, these models that accurately fits the local Asian knee were transported into a dynamic and kinematic analysis software package. The tibiofemoral joint was modeled successfully as a slide curve joint to study intuitively the motion of the femur when articulating on the tibia surface. An optimal tibia profile could be synthesized to mimic the natural knee path motion. Details of the analysis are presented and discussed.

Topographic Controls on Landslide and Debris-Flow Mobility

NASA Astrophysics Data System (ADS)

McCoy, S. W.; Pettitt, S.

2014-12-01

Regardless of whether a granular flow initiates from failure and liquefaction of a shallow landslide or from overland flow that entrains sediment to form a debris flow, the resulting flow poses hazards to downslope communities. Understanding controls on granular-flow mobility is critical for accurate hazard prediction. The topographic form of granular-flow paths can vary significantly across different steeplands and is one of the few flow-path properties that can be readily altered by engineered control structures such as closed-type check dams. We use grain-scale numerical modeling (discrete element method simulations) of free-surface, gravity-driven granular flows to investigate how different topographic profiles with the same mean slope and total relief can produce notable differences in flow mobility due to strong nonlinearities inherent to granular-flow dynamics. We describe how varying the profile shape from planar, to convex up, to concave up, as well how varying the number, size, and location of check dams along a flow path, changes flow velocity, thickness, discharge, energy dissipation, impact force and runout distance. Our preliminary results highlight an important path dependence for this nonlinear system, show that caution should be used when predicting flow dynamics from path-averaged properties, and provide some mechanics-based guidance for engineering control structures.

CO oxidation reaction on Pt(111) studied by the dynamic Monte Carlo method including lateral interactions of adsorbates.

PubMed

Nagasaka, Masanari; Kondoh, Hiroshi; Nakai, Ikuyo; Ohta, Toshiaki

2007-01-28

The dynamics of adsorbate structures during CO oxidation on Pt(111) surfaces and its effects on the reaction were studied by the dynamic Monte Carlo method including lateral interactions of adsorbates. The lateral interaction energies between adsorbed species were calculated by the density functional theory method. Dynamic Monte Carlo simulations were performed for the oxidation reaction over a mesoscopic scale, where the experimentally determined activation energies of elementary paths were altered by the calculated lateral interaction energies. The simulated results reproduced the characteristics of the microscopic and mesoscopic scale adsorbate structures formed during the reaction, and revealed that the complicated reaction kinetics is comprehensively explained by a single reaction path affected by the surrounding adsorbates. We also propose from the simulations that weakly adsorbed CO molecules at domain boundaries promote the island-periphery specific reaction.

Molecular dynamics simulations of substitutional diffusion

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

Zhou, Xiaowang; Jones, Reese E.; Gruber, Jacob

2016-12-18

In atomistic simulations, diffusion energy barriers are usually calculated for each atomic jump path using a nudged elastic band method. Practical materials often involve thousands of distinct atomic jump paths that are not known a priori. Hence, it is often preferred to determine an overall diffusion energy barrier and an overall pre-exponential factor from the Arrhenius equation constructed through molecular dynamics simulations of mean square displacement of the diffusion species at different temperatures. This approach has been well established for interstitial diffusion, but not for substitutional diffusion at the same confidence. Using In 0.1 Ga 0.9 N as an example,more » we have identified conditions where molecular dynamics simulations can be used to calculate highly converged Arrhenius plots for substitutional alloys. As a result, this may enable many complex diffusion problems to be easily and reliably studied in the future using molecular dynamics, provided that moderate computing resources are available.« less

Predicting impact of multi-paths on phase change in map-based vehicular ad hoc networks

NASA Astrophysics Data System (ADS)

Rahmes, Mark; Lemieux, George; Sonnenberg, Jerome; Chester, David B.

2014-05-01

Dynamic Spectrum Access, which through its ability to adapt the operating frequency of a radio, is widely believed to be a solution to the limited spectrum problem. Mobile Ad Hoc Networks (MANETs) can extend high capacity mobile communications over large areas where fixed and tethered-mobile systems are not available. In one use case with high potential impact cognitive radio employs spectrum sensing to facilitate identification of allocated frequencies not currently accessed by their primary users. Primary users own the rights to radiate at a specific frequency and geographic location, secondary users opportunistically attempt to radiate at a specific frequency when the primary user is not using it. We quantify optimal signal detection in map based cognitive radio networks with multiple rapidly varying phase changes and multiple orthogonal signals. Doppler shift occurs due to reflection, scattering, and rapid vehicle movement. Path propagation as well as vehicle movement produces either constructive or destructive interference with the incident wave. Our signal detection algorithms can assist the Doppler spread compensation algorithm by deciding how many phase changes in signals are present in a selected band of interest. Additionally we can populate a spatial radio environment map (REM) database with known information that can be leveraged in an ad hoc network to facilitate Dynamic Spectrum Access. We show how topography can help predict the impact of multi-paths on phase change, as well as about the prediction from dense traffic areas. Utilization of high resolution geospatial data layers in RF propagation analysis is directly applicable.

Markov State Models of gene regulatory networks.

PubMed

Chu, Brian K; Tse, Margaret J; Sato, Royce R; Read, Elizabeth L

2017-02-06

Gene regulatory networks with dynamics characterized by multiple stable states underlie cell fate-decisions. Quantitative models that can link molecular-level knowledge of gene regulation to a global understanding of network dynamics have the potential to guide cell-reprogramming strategies. Networks are often modeled by the stochastic Chemical Master Equation, but methods for systematic identification of key properties of the global dynamics are currently lacking. The method identifies the number, phenotypes, and lifetimes of long-lived states for a set of common gene regulatory network models. Application of transition path theory to the constructed Markov State Model decomposes global dynamics into a set of dominant transition paths and associated relative probabilities for stochastic state-switching. In this proof-of-concept study, we found that the Markov State Model provides a general framework for analyzing and visualizing stochastic multistability and state-transitions in gene networks. Our results suggest that this framework-adopted from the field of atomistic Molecular Dynamics-can be a useful tool for quantitative Systems Biology at the network scale.

Studying the influence of strong meteorological disturbances in the Earth's lower atmosphere on variations of ionospheric parameters in the Asian region of Russia

NASA Astrophysics Data System (ADS)

Chernigovskaya, Marina; Kurkin, Vladimir; Orlov, Igor; Oinats, Alexey; Sharkov, Eugenii

2010-05-01

Short-period temporal variations of ionospheric parameters were analyzed to study probabilities of manifestation of strong meteorological disturbances in the Earth's lower atmosphere in variations of upper atmosphere parameters in a zone far removed from a disturbance source. In the analysis, we used data on maximum observed frequencies (MOF) of oblique sounding (OS) signals along Norilsk-Irkutsk, Magadan-Irkutsk, and Khabarovsk-Irkutsk paths in East Siberia and the Far East. These data were obtained during solar minimum at equinoxes (March, September) in 2008-2009. Analyzing effects of wave disturbances in ionospheric parameters, we take into account helio-geomagnetic and meteorological conditions in regions under study to do an effective separation between disturbances associated with magnetospheric-ionospheric coupling and those induced by the influence of the lower atmosphere on the upper one. The frequency analysis we conducted revealed time intervals with higher intensity of short-period oscillations which may have been interpreted as manifestation of large-scale traveling ionospheric disturbances (TIDs) whose sources were internal gravity waves (IGWs) with periods of 1-5 hours. The complex analysis of helio-geomagnetic, ionospheric, and atmospheric data as well as data on tropical cyclones established that the detected TIDs were unrelated to helio-geomagnetic disturbances (2008-2009 exhibited solar minimum and quiet geomagnetic conditions). The analysis of other potential sources of the observed short-period wave disturbances shows that observed TIDs do not always coincide in time with passage of local meteorological fronts through the region of subionospheric points of OS paths and are not associated with passage of solar terminator. An attempt was made to connect a number of detected TIDs with ionospheric responses to tropical cyclones (TC) which were in active phase in the north-west of the Pacific Ocean during the periods considered. A considerable increase in energy of short-period wave disturbances was observed along Khabarovsk-Irkutsk, Magadan-Irkutsk, and Norilsk-Irkutsk paths during the active tropical cyclogenesis in September 2008-2009. Intensity of the observed TIDs decreased as midpoints of OS paths moved westward away from potential IGW sources. Ionospheric responses to wave disturbance propagation from the same IGW sources differ in the OS paths under analysis. This must be associated with different geometry of the OS paths as well as with the fact that the IGW source under consideration changes in intensity and its coordinates (stages and motion paths of tropical cyclones) during TC development. Thus there is an angular dependence between the wave disturbance propagation direction and the line connecting midpoints of the OS paths. Velocities of wave disturbance propagation (~90-170 m/s) were measured from the delay period of TIDs passage in regions of midpoints of spaced-apart OS paths. Short-period TIDs can also be observed at spring equinox in March 2008-2009 under quiet helio-geomagnetic conditions and in the absence of active tropical cyclones in the north-west of the Pacific Ocean, but TIDs energy is much lower than that in autumn. Authors note it was not possible to identify potential IGW sources for some TIDs within the scope of this work. These TIDs may be related to ionospheric responses to seasonal transitions in the upper atmosphere dynamic regime during the equinoxes under study. Further systematic investigations in this area of study are required to store statistics of observations of ionospheric responses to strong meteorological disturbances. The study was supported by the RFBR grant № 09-05-00760.

Geomagnetic acceleration and rapid hydromagnetic wave dynamics in advanced numerical simulations of the geodynamo

NASA Astrophysics Data System (ADS)

Aubert, Julien

2018-07-01

Geomagnetic secular acceleration, the second temporal derivative of the Earth's magnetic field, is a unique window on the dynamics taking place in the Earth's core. In this study, the behaviours of the secular acceleration and underlying core dynamics are examined in new numerical simulations of the geodynamo that are dynamically closer to the Earth's core conditions than earlier models. These new models reside on a theoretical path in parameter space connecting the region where most classical models are found to the natural conditions. The typical timescale for geomagnetic acceleration is found to be invariant along this path, at a value close to 10 yr that matches the Earth's core estimates. Despite this invariance, the spatio-temporal properties of secular acceleration show significant variability along the path, with an asymptotic regime of rapid rotation reached after 30 per cent of this path (corresponding to a model Ekman number E = 3 × 10-7). In this regime, the energy of secular acceleration is entirely found at periods longer than that of planetary rotation, and the underlying flow acceleration patterns acquire a 2-D columnar structure representative of the rapid rotation limit. The spatial pattern of the secular acceleration at the core-mantle boundary shows significant localization of energy within an equatorial belt. Rapid hydromagnetic wave dynamics is absent at the start of the path because of insufficient timescale separation with convective processes, weak forcing and excessive damping but can be clearly exhibited in the asymptotic regime. This study reports on ubiquitous axisymmetric geostrophic torsional waves of weak amplitude relatively to convective transport, and also stronger, laterally limited, quasi-geostrophic Alfvén waves propagating in the cylindrical radial direction from the tip of convective plumes towards the core-mantle boundary. In a system similar to the Earth's core where the typical Alfvén velocity is significantly larger than the typical convective velocity, quasi-geostrophic Alfvén waves are shown to be an important carrier of flow acceleration to the core surface that links with the generation of strong, short-lived and intermittent equatorial pulses in the secular acceleration energy. The secular acceleration timescale is shown to be insensitive to magnetic signatures from torsional waves because of their weak amplitude, and from quasi-geostrophic Alfvén waves because of their intermittent character, and is therefore only indicative of convective transport phenomena that remain invariant along the parameter space path.

Noise-induced escape in an excitable system

NASA Astrophysics Data System (ADS)

Khovanov, I. A.; Polovinkin, A. V.; Luchinsky, D. G.; McClintock, P. V. E.

2013-03-01

We consider the stochastic dynamics of escape in an excitable system, the FitzHugh-Nagumo (FHN) neuronal model, for different classes of excitability. We discuss, first, the threshold structure of the FHN model as an example of a system without a saddle state. We then develop a nonlinear (nonlocal) stability approach based on the theory of large fluctuations, including a finite-noise correction, to describe noise-induced escape in the excitable regime. We show that the threshold structure is revealed via patterns of most probable (optimal) fluctuational paths. The approach allows us to estimate the escape rate and the exit location distribution. We compare the responses of a monostable resonator and monostable integrator to stochastic input signals and to a mixture of periodic and stochastic stimuli. Unlike the commonly used local analysis of the stable state, our nonlocal approach based on optimal paths yields results that are in good agreement with direct numerical simulations of the Langevin equation.

Design for Verification: Enabling Verification of High Dependability Software-Intensive Systems

NASA Technical Reports Server (NTRS)

Mehlitz, Peter C.; Penix, John; Markosian, Lawrence Z.; Koga, Dennis (Technical Monitor)

2003-01-01

Strategies to achieve confidence that high-dependability applications are correctly implemented include testing and automated verification. Testing deals mainly with a limited number of expected execution paths. Verification usually attempts to deal with a larger number of possible execution paths. While the impact of architecture design on testing is well known, its impact on most verification methods is not as well understood. The Design for Verification approach considers verification from the application development perspective, in which system architecture is designed explicitly according to the application's key properties. The D4V-hypothesis is that the same general architecture and design principles that lead to good modularity, extensibility and complexity/functionality ratio can be adapted to overcome some of the constraints on verification tools, such as the production of hand-crafted models and the limits on dynamic and static analysis caused by state space explosion.

CAST: a new program package for the accurate characterization of large and flexible molecular systems.

PubMed

Grebner, Christoph; Becker, Johannes; Weber, Daniel; Bellinger, Daniel; Tafipolski, Maxim; Brückner, Charlotte; Engels, Bernd

2014-09-15

The presented program package, Conformational Analysis and Search Tool (CAST) allows the accurate treatment of large and flexible (macro) molecular systems. For the determination of thermally accessible minima CAST offers the newly developed TabuSearch algorithm, but algorithms such as Monte Carlo (MC), MC with minimization, and molecular dynamics are implemented as well. For the determination of reaction paths, CAST provides the PathOpt, the Nudge Elastic band, and the umbrella sampling approach. Access to free energies is possible through the free energy perturbation approach. Along with a number of standard force fields, a newly developed symmetry-adapted perturbation theory-based force field is included. Semiempirical computations are possible through DFTB+ and MOPAC interfaces. For calculations based on density functional theory, a Message Passing Interface (MPI) interface to the Graphics Processing Unit (GPU)-accelerated TeraChem program is available. The program is available on request. Copyright © 2014 Wiley Periodicals, Inc.

An experimental analysis on OSPF-TE convergence time

NASA Astrophysics Data System (ADS)

Huang, S.; Kitayama, K.; Cugini, F.; Paolucci, F.; Giorgetti, A.; Valcarenghi, L.; Castoldi, P.

2008-11-01

Open shortest path first (OSPF) protocol is commonly used as an interior gateway protocol (IGP) in MPLS and generalized MPLS (GMPLS) networks to determine the topology over which label-switched paths (LSPs) can be established. Traffic-engineering extensions (network states such as link bandwidth information, available wavelengths, signal quality, etc) have been recently enabled in OSPF (henceforth, called OSPF-TE) to support shortest path first (SPF) tree calculation upon different purposes, thus possibly achieving optimal path computation and helping improve resource utilization efficiency. Adding these features into routing phase can exploit the OSPF robustness, and no additional network component is required to manage the traffic-engineering information. However, this traffic-engineering enhancement also complicates OSPF behavior. Since network states change frequently upon the dynamic trafficengineered LSP setup and release, the network is easily driven from a stable state to unstable operating regimes. In this paper, we focus on studying the OSPF-TE stability in terms of convergence time. Convergence time is referred to the time spent by the network to go back to steady states upon any network state change. An external observation method (based on black-box method) is employed to estimate the convergence time. Several experimental test-beds are developed to emulate dynamic LSP setup/release, re-routing upon single-link failure. The experimental results show that with OSPF-TE the network requires more time to converge compared to the conventional OSPF protocol without TE extension. Especially, in case of wavelength-routed optical network (WRON), introducing per wavelength availability and wavelength continuity constraint to OSPF-TE suffers severe convergence time and a large number of advertised link state advertisements (LSAs). Our study implies that long convergence time and large number of LSAs flooded in the network might cause scalability problems in OSPF-TE and impose limitations on OSPF-TE applications. New solutions to mitigate the s convergence time and to reduce the amount of state information are desired in the future.

Finite Element Simulation of the Shear Effect of Ultrasonic on Heat Exchanger Descaling

NASA Astrophysics Data System (ADS)

Lu, Shaolv; Wang, Zhihua; Wang, Hehui

2018-03-01

The shear effect on the interface of metal plate and its attached scale is an important mechanism of ultrasonic descaling, which is caused by the different propagation speed of ultrasonic wave in two different mediums. The propagating of ultrasonic wave on the shell is simulated based on the ANSYS/LS-DYNA explicit dynamic analysis. The distribution of shear stress in different paths under ultrasonic vibration is obtained through the finite element analysis and it reveals the main descaling mechanism of shear effect. The simulation result is helpful and enlightening to the reasonable design and the application of the ultrasonic scaling technology on heat exchanger.

Three-dimensional particle tracking velocimetry using dynamic vision sensors

NASA Astrophysics Data System (ADS)

Borer, D.; Delbruck, T.; Rösgen, T.

2017-12-01

A fast-flow visualization method is presented based on tracking neutrally buoyant soap bubbles with a set of neuromorphic cameras. The "dynamic vision sensors" register only the changes in brightness with very low latency, capturing fast processes at a low data rate. The data consist of a stream of asynchronous events, each encoding the corresponding pixel position, the time instant of the event and the sign of the change in logarithmic intensity. The work uses three such synchronized cameras to perform 3D particle tracking in a medium sized wind tunnel. The data analysis relies on Kalman filters to associate the asynchronous events with individual tracers and to reconstruct the three-dimensional path and velocity based on calibrated sensor information.

Dependence of Internal Friction on Folding Mechanism

PubMed Central

2016-01-01

An outstanding challenge in protein folding is understanding the origin of “internal friction” in folding dynamics, experimentally identified from the dependence of folding rates on solvent viscosity. A possible origin suggested by simulation is the crossing of local torsion barriers. However, it was unclear why internal friction varied from protein to protein or for different folding barriers of the same protein. Using all-atom simulations with variable solvent viscosity, in conjunction with transition-path sampling to obtain reaction rates and analysis via Markov state models, we are able to determine the internal friction in the folding of several peptides and miniproteins. In agreement with experiment, we find that the folding events with greatest internal friction are those that mainly involve helix formation, while hairpin formation exhibits little or no evidence of friction. Via a careful analysis of folding transition paths, we show that internal friction arises when torsion angle changes are an important part of the folding mechanism near the folding free energy barrier. These results suggest an explanation for the variation of internal friction effects from protein to protein and across the energy landscape of the same protein. PMID:25721133

Dependence of internal friction on folding mechanism.

PubMed

Zheng, Wenwei; De Sancho, David; Hoppe, Travis; Best, Robert B

2015-03-11

An outstanding challenge in protein folding is understanding the origin of "internal friction" in folding dynamics, experimentally identified from the dependence of folding rates on solvent viscosity. A possible origin suggested by simulation is the crossing of local torsion barriers. However, it was unclear why internal friction varied from protein to protein or for different folding barriers of the same protein. Using all-atom simulations with variable solvent viscosity, in conjunction with transition-path sampling to obtain reaction rates and analysis via Markov state models, we are able to determine the internal friction in the folding of several peptides and miniproteins. In agreement with experiment, we find that the folding events with greatest internal friction are those that mainly involve helix formation, while hairpin formation exhibits little or no evidence of friction. Via a careful analysis of folding transition paths, we show that internal friction arises when torsion angle changes are an important part of the folding mechanism near the folding free energy barrier. These results suggest an explanation for the variation of internal friction effects from protein to protein and across the energy landscape of the same protein.

Efficient micromagnetics for magnetic storage devices

NASA Astrophysics Data System (ADS)

Escobar Acevedo, Marco Antonio

Micromagnetics is an important component for advancing the magnetic nanostructures understanding and design. Numerous existing and prospective magnetic devices rely on micromagnetic analysis, these include hard disk drives, magnetic sensors, memories, microwave generators, and magnetic logic. The ability to examine, describe, and predict the magnetic behavior, and macroscopic properties of nanoscale magnetic systems is essential for improving the existing devices, for progressing in their understanding, and for enabling new technologies. This dissertation describes efficient micromagnetic methods as required for magnetic storage analysis. Their performance and accuracy is demonstrated by studying realistic, complex, and relevant micromagnetic system case studies. An efficient methodology for dynamic micromagnetics in large scale simulations is used to study the writing process in a full scale model of a magnetic write head. An efficient scheme, tailored for micromagnetics, to find the minimum energy state on a magnetic system is presented. This scheme can be used to calculate hysteresis loops. An efficient scheme, tailored for micromagnetics, to find the minimum energy path between two stable states on a magnetic system is presented. This minimum energy path is intimately related to the thermal stability.

Energy-optimal path planning in the coastal ocean

NASA Astrophysics Data System (ADS)

Subramani, Deepak N.; Haley, Patrick J.; Lermusiaux, Pierre F. J.

2017-05-01

We integrate data-driven ocean modeling with the stochastic Dynamically Orthogonal (DO) level-set optimization methodology to compute and study energy-optimal paths, speeds, and headings for ocean vehicles in the Middle-Atlantic Bight (MAB) region. We hindcast the energy-optimal paths from among exact time-optimal paths for the period 28 August 2006 to 9 September 2006. To do so, we first obtain a data-assimilative multiscale reanalysis, combining ocean observations with implicit two-way nested multiresolution primitive-equation simulations of the tidal-to-mesoscale dynamics in the region. Second, we solve the reduced-order stochastic DO level-set partial differential equations (PDEs) to compute the joint probability of minimum arrival time, vehicle-speed time series, and total energy utilized. Third, for each arrival time, we select the vehicle-speed time series that minimize the total energy utilization from the marginal probability of vehicle-speed and total energy. The corresponding energy-optimal path and headings are obtained through the exact particle-backtracking equation. Theoretically, the present methodology is PDE-based and provides fundamental energy-optimal predictions without heuristics. Computationally, it is 3-4 orders of magnitude faster than direct Monte Carlo methods. For the missions considered, we analyze the effects of the regional tidal currents, strong wind events, coastal jets, shelfbreak front, and other local circulations on the energy-optimal paths. Results showcase the opportunities for vehicles that intelligently utilize the ocean environment to minimize energy usage, rigorously integrating ocean forecasting with optimal control of autonomous vehicles.

A scaling law for random walks on networks

PubMed Central

Perkins, Theodore J.; Foxall, Eric; Glass, Leon; Edwards, Roderick

2014-01-01

The dynamics of many natural and artificial systems are well described as random walks on a network: the stochastic behaviour of molecules, traffic patterns on the internet, fluctuations in stock prices and so on. The vast literature on random walks provides many tools for computing properties such as steady-state probabilities or expected hitting times. Previously, however, there has been no general theory describing the distribution of possible paths followed by a random walk. Here, we show that for any random walk on a finite network, there are precisely three mutually exclusive possibilities for the form of the path distribution: finite, stretched exponential and power law. The form of the distribution depends only on the structure of the network, while the stepping probabilities control the parameters of the distribution. We use our theory to explain path distributions in domains such as sports, music, nonlinear dynamics and stochastic chemical kinetics. PMID:25311870

A study of the high-precision displacement laser probe

NASA Astrophysics Data System (ADS)

Fan, Yuming; Zhang, Guoxiong

2006-06-01

On the basis of the measuring principle of the dynamic active optical confocal probe based on time difference measurement that has a reference path, a dynamic active optical confocal probe based on time difference measurement but has no reference path is developed. In this paper, the working principle of this optical confocal probe is dissertated. A large-scale integrated measuring system is designed to simplify the structure of the probe and to enhance the stability of the probe. Single-chip microcomputer system with a high-speed ADC is selected in the measurement and control system of the probe. At the end of the paper, experiments on the performance of the optical confocal probe based on time difference measurement with no reference path are carried out. Experiment results show that the probe has a measuring resolution of 0.05μm, a measuring range of 0.2mm and a linearity of 0.4μm.

A scaling law for random walks on networks

NASA Astrophysics Data System (ADS)

Perkins, Theodore J.; Foxall, Eric; Glass, Leon; Edwards, Roderick

2014-10-01

The dynamics of many natural and artificial systems are well described as random walks on a network: the stochastic behaviour of molecules, traffic patterns on the internet, fluctuations in stock prices and so on. The vast literature on random walks provides many tools for computing properties such as steady-state probabilities or expected hitting times. Previously, however, there has been no general theory describing the distribution of possible paths followed by a random walk. Here, we show that for any random walk on a finite network, there are precisely three mutually exclusive possibilities for the form of the path distribution: finite, stretched exponential and power law. The form of the distribution depends only on the structure of the network, while the stepping probabilities control the parameters of the distribution. We use our theory to explain path distributions in domains such as sports, music, nonlinear dynamics and stochastic chemical kinetics.

A scaling law for random walks on networks.

PubMed

Perkins, Theodore J; Foxall, Eric; Glass, Leon; Edwards, Roderick

2014-10-14

The dynamics of many natural and artificial systems are well described as random walks on a network: the stochastic behaviour of molecules, traffic patterns on the internet, fluctuations in stock prices and so on. The vast literature on random walks provides many tools for computing properties such as steady-state probabilities or expected hitting times. Previously, however, there has been no general theory describing the distribution of possible paths followed by a random walk. Here, we show that for any random walk on a finite network, there are precisely three mutually exclusive possibilities for the form of the path distribution: finite, stretched exponential and power law. The form of the distribution depends only on the structure of the network, while the stepping probabilities control the parameters of the distribution. We use our theory to explain path distributions in domains such as sports, music, nonlinear dynamics and stochastic chemical kinetics.

gRINN: a tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations.

PubMed

Serçinoglu, Onur; Ozbek, Pemra

2018-05-25

Atomistic molecular dynamics (MD) simulations generate a wealth of information related to the dynamics of proteins. If properly analyzed, this information can lead to new insights regarding protein function and assist wet-lab experiments. Aiming to identify interactions between individual amino acid residues and the role played by each in the context of MD simulations, we present a stand-alone software called gRINN (get Residue Interaction eNergies and Networks). gRINN features graphical user interfaces (GUIs) and a command-line interface for generating and analyzing pairwise residue interaction energies and energy correlations from protein MD simulation trajectories. gRINN utilizes the features of NAMD or GROMACS MD simulation packages and automatizes the steps necessary to extract residue-residue interaction energies from user-supplied simulation trajectories, greatly simplifying the analysis for the end-user. A GUI, including an embedded molecular viewer, is provided for visualization of interaction energy time-series, distributions, an interaction energy matrix, interaction energy correlations and a residue correlation matrix. gRINN additionally offers construction and analysis of Protein Energy Networks, providing residue-based metrics such as degrees, betweenness-centralities, closeness centralities as well as shortest path analysis. gRINN is free and open to all users without login requirement at http://grinn.readthedocs.io.

Dynamics and causalities of atmospheric and oceanic data identified by complex networks and Granger causality analysis

NASA Astrophysics Data System (ADS)

Charakopoulos, A. K.; Katsouli, G. A.; Karakasidis, T. E.

2018-04-01

Understanding the underlying processes and extracting detailed characteristics of spatiotemporal dynamics of ocean and atmosphere as well as their interaction is of significant interest and has not been well thoroughly established. The purpose of this study was to examine the performance of two main additional methodologies for the identification of spatiotemporal underlying dynamic characteristics and patterns among atmospheric and oceanic variables from Seawatch buoys from Aegean and Ionian Sea, provided by the Hellenic Center for Marine Research (HCMR). The first approach involves the estimation of cross correlation analysis in an attempt to investigate time-lagged relationships, and further in order to identify the direction of interactions between the variables we performed the Granger causality method. According to the second approach the time series are converted into complex networks and then the main topological network properties such as degree distribution, average path length, diameter, modularity and clustering coefficient are evaluated. Our results show that the proposed analysis of complex network analysis of time series can lead to the extraction of hidden spatiotemporal characteristics. Also our findings indicate high level of positive and negative correlations and causalities among variables, both from the same buoy and also between buoys from different stations, which cannot be determined from the use of simple statistical measures.

Teleconnection Paths via Climate Network Direct Link Detection.

PubMed

Zhou, Dong; Gozolchiani, Avi; Ashkenazy, Yosef; Havlin, Shlomo

2015-12-31

Teleconnections describe remote connections (typically thousands of kilometers) of the climate system. These are of great importance in climate dynamics as they reflect the transportation of energy and climate change on global scales (like the El Niño phenomenon). Yet, the path of influence propagation between such remote regions, and weighting associated with different paths, are only partially known. Here we propose a systematic climate network approach to find and quantify the optimal paths between remotely distant interacting locations. Specifically, we separate the correlations between two grid points into direct and indirect components, where the optimal path is found based on a minimal total cost function of the direct links. We demonstrate our method using near surface air temperature reanalysis data, on identifying cross-latitude teleconnections and their corresponding optimal paths. The proposed method may be used to quantify and improve our understanding regarding the emergence of climate patterns on global scales.

Impact adding bifurcation in an autonomous hybrid dynamical model of church bell

NASA Astrophysics Data System (ADS)

Brzeski, P.; Chong, A. S. E.; Wiercigroch, M.; Perlikowski, P.

2018-05-01

In this paper we present the bifurcation analysis of the yoke-bell-clapper system which corresponds to the biggest bell "Serce Lodzi" mounted in the Cathedral Basilica of St Stanislaus Kostka, Lodz, Poland. The mathematical model of the system considered in this work has been derived and verified based on measurements of dynamics of the real bell. We perform numerical analysis both by direct numerical integration and path-following method using toolbox ABESPOL (Chong, 2016). By introducing the active yoke the position of the bell-clapper system with respect to the yoke axis of rotation can be easily changed and it can be used to probe the system dynamics. We found a wide variety of periodic and non-periodic solutions, and examined the ranges of coexistence of solutions and transitions between them via different types of bifurcations. Finally, a new type of bifurcation induced by a grazing event - an "impact adding bifurcation" has been proposed. When it occurs, the number of impacts between the bell and the clapper is increasing while the period of the system's motion stays the same.

Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations

NASA Astrophysics Data System (ADS)

Orellana, Laura; Yoluk, Ozge; Carrillo, Oliver; Orozco, Modesto; Lindahl, Erik

2016-08-01

Protein conformational changes are at the heart of cell functions, from signalling to ion transport. However, the transient nature of the intermediates along transition pathways hampers their experimental detection, making the underlying mechanisms elusive. Here we retrieve dynamic information on the actual transition routes from principal component analysis (PCA) of structurally-rich ensembles and, in combination with coarse-grained simulations, explore the conformational landscapes of five well-studied proteins. Modelling them as elastic networks in a hybrid elastic-network Brownian dynamics simulation (eBDIMS), we generate trajectories connecting stable end-states that spontaneously sample the crystallographic motions, predicting the structures of known intermediates along the paths. We also show that the explored non-linear routes can delimit the lowest energy passages between end-states sampled by atomistic molecular dynamics. The integrative methodology presented here provides a powerful framework to extract and expand dynamic pathway information from the Protein Data Bank, as well as to validate sampling methods in general.

Dynamic effects of memory in a cobweb model with competing technologies

NASA Astrophysics Data System (ADS)

Agliari, Anna; Naimzada, Ahmad; Pecora, Nicolò

2017-02-01

We analyze a simple model based on the cobweb demand-supply framework with costly innovators and free imitators and study the endogenous dynamics of price and firms' fractions in a homogeneous good market. The evolutionary selection between technologies depends on a performance measure in which a memory parameter is introduced. The resulting dynamics is then described by a two-dimensional map. In addition to the locally stabilizing effect due to the presence of memory, we show the existence of a double stability threshold which entails for different dynamic scenarios occurring when the memory parameter takes extreme values (i.e. when consideration of the last profit realization prevails or it is too much neglected). The eventuality of different coexisting attractors as well as the structure of the basins of attraction that characterizes the path dependence property of the model with memory is shown. In particular, through global analysis we also illustrate particular bifurcations sequences that may increase the complexity of the related basins of attraction.

Collective degrees of freedom involved in absorption and desorption of surfactant molecules in spherical non-ionic micelles

NASA Astrophysics Data System (ADS)

Ahn, Yong Nam; Mohan, Gunjan; Kopelevich, Dmitry I.

2012-10-01

Dynamics of absorption and desorption of a surfactant monomer into and out of a spherical non-ionic micelle is investigated by coarse-grained molecular dynamics (MD) simulations. It is shown that these processes involve a complex interplay between the micellar structure and the monomer configuration. A quantitative model for collective dynamics of these degrees of freedom is developed. This is accomplished by reconstructing a multi-dimensional free energy landscape of the surfactant-micelle system using constrained MD simulations in which the distance between the micellar and monomer centers of mass is held constant. Results of this analysis are verified by direct (unconstrained) MD simulations of surfactant absorption in the micelle. It is demonstrated that the system dynamics is likely to deviate from the minimum energy path on the energy landscape. These deviations create an energy barrier for the monomer absorption and increase an existing barrier for the monomer desorption. A reduced Fokker-Planck equation is proposed to model these effects.

Comparative dynamics in a health investment model.

PubMed

Eisenring, C

1999-10-01

The method of comparative dynamics fully exploits the inter-temporal structure of optimal control models. I derive comparative dynamic results in a simplified demand for health model. The effect of a change in the depreciation rate on the optimal paths for health capital and investment in health is studied by use of a phase diagram.

Cyclic fatigue resistance of R-Pilot, WaveOne Gold Glider, and ProGlider glide path instruments.

PubMed

Keskin, Cangül; İnan, Uğur; Demiral, Murat; Keleş, Ali

2018-02-17

The aim of the present study was to compare the cyclic fatigue resistance of R-Pilot (VDW; Munich, Germany) with ProGlider (Denstply Sirona; Ballaigues, Switzerland) and WaveOne Gold Glider (Denstply Sirona; Ballaigues, Switzerland) glide path instruments. R-Pilot, ProGlider, and WaveOne Gold Glider instruments were collected (n = 15) and tested in a dynamic cyclic fatigue test device, which has an artificial canal with 60° angle of curvature and a 5-mm radius of curvature. All instruments were operated until fracture occurred, and both time to fracture (TF) and the lengths of the fractured fragments were recorded. Mean and standard deviations of TF and fragment length were calculated for each reciprocating system. TF data and fractured fragment length data were subjected to one-way ANOVA and post-hoc Tukey tests (P < 0.05). Also a Weibull analysis was performed on TF data. The cyclic fatigue resistance values of the WaveOne Gold Glider and R-Pilot were significantly higher than those of the ProGlider (P < 0.05), with no significant difference between them (P > 0.05). Weibull analysis revealed that WaveOne Gold Glider showed the highest predicted TF value for 99% survival rate, which was followed by R-Pilot and ProGlider. Regarding the length of the fractured tips, there were no significant differences among the instruments (P > 0.05). The reciprocating WaveOne Gold Glider and R-Pilot instruments had significantly higher cyclic fatigue resistance than rotary ProGlider instruments. This study reported that novel reciprocating glide path instruments exhibited higher cyclic fatigue resistance than rotating glide path instrument.

Analysis and design of a capsule landing system and surface vehicle control system for Mars exploration

NASA Technical Reports Server (NTRS)

Frederick, D. K.; Lashmet, P. K.; Moyer, W. R.; Sandor, G. N.; Shen, C. N.; Smith, E. J.; Yerazunis, S. W.

1973-01-01

The following tasks related to the design, construction, and evaluation of a mobile planetary vehicle for unmanned exploration of Mars are discussed: (1) design and construction of a 0.5 scale dynamic vehicle; (2) mathematical modeling of vehicle dynamics; (3) experimental 0.4 scale vehicle dynamics measurements and interpretation; (4) vehicle electro-mechanical control systems; (5) remote control systems; (6) collapsibility and deployment concepts and hardware; (7) design, construction and evaluation of a wheel with increased lateral stiffness, (8) system design optimization; (9) design of an on-board computer; (10) design and construction of a laser range finder; (11) measurement of reflectivity of terrain surfaces; (12) obstacle perception by edge detection; (13) terrain modeling based on gradients; (14) laser scan systems; (15) path selection system simulation and evaluation; (16) gas chromatograph system concepts; (17) experimental chromatograph separation measurements and chromatograph model improvement and evaluation.

Universal Session-Level Change Processes in an Early Session of Psychotherapy: Path Models

ERIC Educational Resources Information Center

Kolden, Gregory G.; Chisholm-Stockard, Sarah M.; Strauman, Timothy J.; Tierney, Sandy C.; Mullen, Elizabeth A.; Schneider, Kristin L.

2006-01-01

The authors used structural equation modeling to investigate universal change processes identified in the generic model of psychotherapy (GMP). Three path models of increasing complexity were examined in Study 1 in dynamic therapy. The best fitting model from Study one was replicated in Study two for participants receiving either cognitive or…

Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems

NASA Astrophysics Data System (ADS)

Kröger, Martin

2005-06-01

We present an algorithm which returns a shortest path and related number of entanglements for a given configuration of a polymeric system in 2 or 3 dimensions. Rubinstein and Helfand, and later Everaers et al. introduced a concept to extract primitive paths for dense polymeric melts made of linear chains (a multiple disconnected multibead 'path'), where each primitive path is defined as a path connecting the (space-fixed) ends of a polymer under the constraint of non-interpenetration (excluded volume) between primitive paths of different chains, such that the multiple disconnected path fulfills a minimization criterion. The present algorithm uses geometrical operations and provides a—model independent—efficient approximate solution to this challenging problem. Primitive paths are treated as 'infinitely' thin (we further allow for finite thickness to model excluded volume), and tensionless lines rather than multibead chains, excluded volume is taken into account without a force law. The present implementation allows to construct a shortest multiple disconnected path (SP) for 2D systems (polymeric chain within spherical obstacles) and an optimal SP for 3D systems (collection of polymeric chains). The number of entanglements is then simply obtained from the SP as either the number of interior kinks, or from the average length of a line segment. Further, information about structure and potentially also the dynamics of entanglements is immediately available from the SP. We apply the method to study the 'concentration' dependence of the degree of entanglement in phantom chain systems. Program summaryTitle of program:Z Catalogue number:ADVG Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVG Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computer for which the program is designed and others on which it has been tested: Silicon Graphics (Irix), Sun (Solaris), PC (Linux) Operating systems or monitors under which the program has been tested: UNIX, Linux Program language used: USANSI Fortran 77 and Fortran 90 Memory required to execute with typical data: 1 MByte No. of lines in distributed program, including test data, etc.: 10 660 No. of bytes in distributed program, including test data, etc.: 119 551 Distribution formet:tar.gz Nature of physical problem: The problem is to obtain primitive paths substantiating a shortest multiple disconnected path (SP) for a given polymer configuration (chains of particles, with or without additional single particles as obstacles for the 2D case). Primitive paths are here defined as in [M. Rubinstein, E. Helfand, J. Chem. Phys. 82 (1985) 2477; R. Everaers, S.K. Sukumaran, G.S. Grest, C. Svaneborg, A. Sivasubramanian, K. Kremer, Science 303 (2004) 823] as the shortest line (path) respecting 'topological' constraints (from neighboring polymers or point obstacles) between ends of polymers. There is a unique solution for the 2D case. For the 3D case it is unique if we construct a primitive path of a single chain embedded within fixed line obstacles [J.S.B. Mitchell, Geometric shortest paths and network optimization, in: J.-R. Sack, J. Urrutia (Eds.), Handbook of Computational Geometry, Elsevier, Amsterdam, 2000, pp. 633-701]. For a large 3D configuration made of several chains, short is meant to be the Euclidean shortest multiple disconnected path (SP) where primitive paths are constructed for all chains simultaneously. While the latter problem, in general, does not possess a unique solution, the algorithm must return a locally optimal solution, robust against minor displacements of the disconnected path and chain re-labeling. The problem is solved if the number of kinks (or entanglements Z), explicitly deduced from the SP, is quite insensitive to the exact conformation of the SP which allows to estimate Z with a small error. Efficient method of solution: Primitive paths are constructed from the given polymer configuration (a non-shortest multiple disconnected path, including obstacles, if present) by first replacing each polymer contour by a line with a number of 'kinks' (beads, nodes) and 'segments' (edges). To obtain primitive paths, defined to be uncrossable by any other objects (neighboring primitive paths, line or point obstacles), the algorithm minimizes the length of all primitive paths consecutively, until a final minimum Euclidean length of the SP is reached. Fast geometric operations rather than dynamical methods are used to minimize the contour lengths of the primitive paths. Neighbor lists are used to keep track of potentially intersecting segments of other chains. Periodic boundary conditions are employed. A finite small line thickness is used in order to make sure that entanglements are not 'lost' due to finite precision of representation of numbers. Restrictions on the complexity of the problem: For a single chain embedded within fixed line or point obstacles, the algorithm returns the exact SP. For more complex problems, the algorithm returns a locally optimal SP. Except for exotic, probably rare, configurations it turns out that different locally optimal SPs possess quite an identical number of nodes. In general, the problem constructing the SP is known to be NP-hard [J.S.B. Mitchell, Geometric shortest paths and network optimization, in: J.-R. Sack, J. Urrutia (Eds.), Handbook of Computational Geometry, Elsevier, Amsterdam, 2000, pp. 633-701], and we offer a solution which should suffice to analyze physical problems, and gives an estimate about the precision and uniqueness of the result (from a standard deviation by varying the parameter: cyclicswitch). The program is NOT restricted to handle systems for which segment lengths of the SP exceed half the box size. Typical running time: Typical running times are approximately two orders of magnitude shorter compared with the ones needed for a corresponding molecular dynamics approach, and scale mostly linearly with system size. We provide a benchmark table.

A Theoretical Approach to Norm Ecosystems: Two Adaptive Architectures of Indirect Reciprocity Show Different Paths to the Evolution of Cooperation

NASA Astrophysics Data System (ADS)

Uchida, Satoshi; Yamamoto, Hitoshi; Okada, Isamu; Sasaki, Tatsuya

2018-02-01

Indirect reciprocity is one of the basic mechanisms to sustain mutual cooperation, by which beneficial acts are returned, not by the recipient, but by third parties. This mechanism relies on the ability of individuals to know the past actions of others, and to assess those actions. There are many different systems of assessing others, which can be interpreted as rudimentary social norms (i.e., views on what is “good” or “bad”). In this paper, impacts of different adaptive architectures, i.e., ways for individuals to adapt to environments, on indirect reciprocity are investigated. We examine two representative architectures: one based on replicator dynamics and the other on genetic algorithm. Different from the replicator dynamics, the genetic algorithm requires describing the mixture of all possible norms in the norm space under consideration. Therefore, we also propose an analytic method to study norm ecosystems in which all possible second order social norms potentially exist and compete. The analysis reveals that the different adaptive architectures show different paths to the evolution of cooperation. Especially we find that so called Stern-Judging, one of the best studied norms in the literature, exhibits distinct behaviors in both architectures. On one hand, in the replicator dynamics, Stern-Judging remains alive and gets a majority steadily when the population reaches a cooperative state. On the other hand, in the genetic algorithm, it gets a majority only temporarily and becomes extinct in the end.

Task path planning, scheduling and learning for free-ranging robot systems

NASA Technical Reports Server (NTRS)

Wakefield, G. Steve

1987-01-01

The development of robotics applications for space operations is often restricted by the limited movement available to guided robots. Free ranging robots can offer greater flexibility than physically guided robots in these applications. Presented here is an object oriented approach to path planning and task scheduling for free-ranging robots that allows the dynamic determination of paths based on the current environment. The system also provides task learning for repetitive jobs. This approach provides a basis for the design of free-ranging robot systems which are adaptable to various environments and tasks.

Dynamics of a Two-Link Vehicle in an L-Shaped Corridor Revisited

NASA Astrophysics Data System (ADS)

Antonyuk, E. Ya.; Zabuga, A. T.

2014-03-01

The kinematics of a two-link mobile robot with three steerable wheels moving in an L-shaped corridor is analyzed. A smooth (with continuous first derivative) path is designed maintaining the optimal maneuverability of the vehicle. The motion of the vehicle along this path is planned. Analytical expressions for the reactions at the contact of the wheels with the ground are given in the general case of motion. The radius of curvature of the programmed path is shown to have a strong influence on the reactions.

Dynamic real-time routing for evacuation response planning and execution.

DOT National Transportation Integrated Search

2011-01-01

This study addresses the problem of dynamic routing operations in the emergency response context, primarily in terms : of the routing of response vehicles and evacuees. The study focuses on identifying the paths used for routing response : vehicles a...

Strong influence of coadsorbate interaction on CO desorption dynamics on Ru(0001) probed by ultrafast x-ray spectroscopy and ab initio simulations

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

Xin, H.; LaRue, J.; Oberg, H.

2015-04-16

We show that coadsorbed oxygen atoms have a dramatic influence on the CO desorption dynamics from Ru(0001). In contrast to the precursor-mediated desorption mechanism on Ru(0001), the presence of surface oxygen modifies the electronic structure of Ru atoms such that CO desorption occurs predominantly via the direct pathway. This phenomenon is directly observed in an ultrafast pump-probe experiment using a soft x-ray free-electron laser to monitor the dynamic evolution of the valence electronic structure of the surface species. This is supported with the potential of mean force along the CO desorption path obtained from density-functional theory calculations. Charge density distributionmore » and frozen-orbital analysis suggest that the oxygen-induced reduction of the Pauli repulsion, and consequent increase of the dative interaction between the CO 5σ and the charged Ru atom, is the electronic origin of the distinct desorption dynamics. Ab initio molecular dynamics simulations of CO desorption from Ru(0001) and oxygen-coadsorbed Ru(0001) provide further insights into the surface bond-breaking process.« less

Experimental and analytical study of secondary path variations in active engine mounts

NASA Astrophysics Data System (ADS)

Hausberg, Fabian; Scheiblegger, Christian; Pfeffer, Peter; Plöchl, Manfred; Hecker, Simon; Rupp, Markus

2015-03-01

Active engine mounts (AEMs) provide an effective solution to further improve the acoustic and vibrational comfort of passenger cars. Typically, adaptive feedforward control algorithms, e.g., the filtered-x-least-mean-squares (FxLMS) algorithm, are applied to cancel disturbing engine vibrations. These algorithms require an accurate estimate of the AEM active dynamic characteristics, also known as the secondary path, in order to guarantee control performance and stability. This paper focuses on the experimental and theoretical study of secondary path variations in AEMs. The impact of three major influences, namely nonlinearity, change of preload and component temperature, on the AEM active dynamic characteristics is experimentally analyzed. The obtained test results are theoretically investigated with a linear AEM model which incorporates an appropriate description for elastomeric components. A special experimental set-up extends the model validation of the active dynamic characteristics to higher frequencies up to 400 Hz. The theoretical and experimental results show that significant secondary path variations are merely observed in the frequency range of the AEM actuator's resonance frequency. These variations mainly result from the change of the component temperature. As the stability of the algorithm is primarily affected by the actuator's resonance frequency, the findings of this paper facilitate the design of AEMs with simpler adaptive feedforward algorithms. From a practical point of view it may further be concluded that algorithmic countermeasures against instability are only necessary in the frequency range of the AEM actuator's resonance frequency.

Foundations and latest advances in replica exchange transition interface sampling.

PubMed

Cabriolu, Raffaela; Skjelbred Refsnes, Kristin M; Bolhuis, Peter G; van Erp, Titus S

2017-10-21

Nearly 20 years ago, transition path sampling (TPS) emerged as an alternative method to free energy based approaches for the study of rare events such as nucleation, protein folding, chemical reactions, and phase transitions. TPS effectively performs Monte Carlo simulations with relatively short molecular dynamics trajectories, with the advantage of not having to alter the actual potential energy surface nor the underlying physical dynamics. Although the TPS approach also introduced a methodology to compute reaction rates, this approach was for a long time considered theoretically attractive, providing the exact same results as extensively long molecular dynamics simulations, but still expensive for most relevant applications. With the increase of computer power and improvements in the algorithmic methodology, quantitative path sampling is finding applications in more and more areas of research. In particular, the transition interface sampling (TIS) and the replica exchange TIS (RETIS) algorithms have, in turn, improved the efficiency of quantitative path sampling significantly, while maintaining the exact nature of the approach. Also, open-source software packages are making these methods, for which implementation is not straightforward, now available for a wider group of users. In addition, a blooming development takes place regarding both applications and algorithmic refinements. Therefore, it is timely to explore the wide panorama of the new developments in this field. This is the aim of this article, which focuses on the most efficient exact path sampling approach, RETIS, as well as its recent applications, extensions, and variations.

Path-space variational inference for non-equilibrium coarse-grained systems

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

Harmandaris, Vagelis, E-mail: harman@uoc.gr; Institute of Applied and Computational Mathematics; Kalligiannaki, Evangelia, E-mail: ekalligian@tem.uoc.gr

In this paper we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular simulations. The latter are ubiquitous in physicochemical and biological applications, where they are typically associated with coupling mechanisms, multi-physics and/or boundary conditions. In general the non-equilibrium steady states are not known explicitly as they do not necessarily have a Gibbs structure. The presented approach can compare microscopic behavior of molecular systems to parametric and non-parametric coarse-grained models using the relative entropy between distributions on the path space and setting up a corresponding path-space variational inference problem. The methods can become entirelymore » data-driven when the microscopic dynamics are replaced with corresponding correlated data in the form of time series. Furthermore, we present connections and generalizations of force matching methods in coarse-graining with path-space information methods. We demonstrate the enhanced transferability of information-based parameterizations to different observables, at a specific thermodynamic point, due to information inequalities. We discuss methodological connections between information-based coarse-graining of molecular systems and variational inference methods primarily developed in the machine learning community. However, we note that the work presented here addresses variational inference for correlated time series due to the focus on dynamics. The applicability of the proposed methods is demonstrated on high-dimensional stochastic processes given by overdamped and driven Langevin dynamics of interacting particles.« less

Foundations and latest advances in replica exchange transition interface sampling

NASA Astrophysics Data System (ADS)

Cabriolu, Raffaela; Skjelbred Refsnes, Kristin M.; Bolhuis, Peter G.; van Erp, Titus S.

2017-10-01

Nearly 20 years ago, transition path sampling (TPS) emerged as an alternative method to free energy based approaches for the study of rare events such as nucleation, protein folding, chemical reactions, and phase transitions. TPS effectively performs Monte Carlo simulations with relatively short molecular dynamics trajectories, with the advantage of not having to alter the actual potential energy surface nor the underlying physical dynamics. Although the TPS approach also introduced a methodology to compute reaction rates, this approach was for a long time considered theoretically attractive, providing the exact same results as extensively long molecular dynamics simulations, but still expensive for most relevant applications. With the increase of computer power and improvements in the algorithmic methodology, quantitative path sampling is finding applications in more and more areas of research. In particular, the transition interface sampling (TIS) and the replica exchange TIS (RETIS) algorithms have, in turn, improved the efficiency of quantitative path sampling significantly, while maintaining the exact nature of the approach. Also, open-source software packages are making these methods, for which implementation is not straightforward, now available for a wider group of users. In addition, a blooming development takes place regarding both applications and algorithmic refinements. Therefore, it is timely to explore the wide panorama of the new developments in this field. This is the aim of this article, which focuses on the most efficient exact path sampling approach, RETIS, as well as its recent applications, extensions, and variations.

Investigation of progressive failure robustness and alternate load paths for damage tolerant structures

NASA Astrophysics Data System (ADS)

Marhadi, Kun Saptohartyadi

Structural optimization for damage tolerance under various unforeseen damage scenarios is computationally challenging. It couples non-linear progressive failure analysis with sampling-based stochastic analysis of random damage. The goal of this research was to understand the relationship between alternate load paths available in a structure and its damage tolerance, and to use this information to develop computationally efficient methods for designing damage tolerant structures. Progressive failure of a redundant truss structure subjected to small random variability was investigated to identify features that correlate with robustness and predictability of the structure's progressive failure. The identified features were used to develop numerical surrogate measures that permit computationally efficient deterministic optimization to achieve robustness and predictability of progressive failure. Analysis of damage tolerance on designs with robust progressive failure indicated that robustness and predictability of progressive failure do not guarantee damage tolerance. Damage tolerance requires a structure to redistribute its load to alternate load paths. In order to investigate the load distribution characteristics that lead to damage tolerance in structures, designs with varying degrees of damage tolerance were generated using brute force stochastic optimization. A method based on principal component analysis was used to describe load distributions (alternate load paths) in the structures. Results indicate that a structure that can develop alternate paths is not necessarily damage tolerant. The alternate load paths must have a required minimum load capability. Robustness analysis of damage tolerant optimum designs indicates that designs are tailored to specified damage. A design Optimized under one damage specification can be sensitive to other damages not considered. Effectiveness of existing load path definitions and characterizations were investigated for continuum structures. A load path definition using a relative compliance change measure (U* field) was demonstrated to be the most useful measure of load path. This measure provides quantitative information on load path trajectories and qualitative information on the effectiveness of the load path. The use of the U* description of load paths in optimizing structures for effective load paths was investigated.

Common-path biodynamic imaging for dynamic fluctuation spectroscopy of 3D living tissue

NASA Astrophysics Data System (ADS)

Li, Zhe; Turek, John; Nolte, David D.

2017-03-01

Biodynamic imaging is a novel 3D optical imaging technology based on short-coherence digital holography that measures intracellular motions of cells inside their natural microenvironments. Here both common-path and Mach-Zehnder designs are presented. Biological tissues such as tumor spheroids and ex vivo biopsies are used as targets, and backscattered light is collected as signal. Drugs are applied to samples, and their effects are evaluated by identifying biomarkers that capture intracellular dynamics from the reconstructed holograms. Through digital holography and coherence gating, information from different depths of the samples can be extracted, enabling the deep-tissue measurement of the responses to drugs.

Dynamic-Stark-effect-induced coherent mixture of virtual paths in laser-dressed helium: energetic electron impact excitation

NASA Astrophysics Data System (ADS)

Agueny, Hicham; Makhoute, Abdelkader; Dubois, Alain

2017-06-01

We theoretically investigate quantum virtual path interference caused by the dynamic Stark effect in bound-bound electronic transitions. The effect is studied in an intermediate resonant region and in connection with the energetic electron impact excitation of a helium atom embedded in a weak low-frequency laser field. The process under investigation is dealt with via a Born-Floquet approach. Numerical calculations show a resonant feature in laser-assisted cross sections. The latter is found to be sensitive to the intensity of the laser field dressing. We show that this feature is a signature of quantum beats which result from the coherent mixture of different quantum virtual pathways, and that excitation may follow in order to end up with a common final channel. This mixture arises from the dynamic Stark effect, which produces a set of avoided crossings in laser-dressed states. The effect allows one to coherently control quantum virtual path interference by varying the intensity of the laser field dressing. Our findings suggest that the combination of an energetic electron and a weak laser field is a useful tool for the coherent control of nonadiabatic transitions in an intermediate resonant region.

Path integral molecular dynamic simulation of flexible molecular systems in their ground state: Application to the water dimer

NASA Astrophysics Data System (ADS)

Schmidt, Matthew; Roy, Pierre-Nicholas

2018-03-01

We extend the Langevin equation Path Integral Ground State (LePIGS), a ground state quantum molecular dynamics method, to simulate flexible molecular systems and calculate both energetic and structural properties. We test the approach with the H2O and D2O monomers and dimers. We systematically optimize all simulation parameters and use a unity trial wavefunction. We report ground state energies, dissociation energies, and structural properties using three different water models, two of which are empirically based, q-TIP4P/F and q-SPC/Fw, and one which is ab initio, MB-pol. We demonstrate that our energies calculated from LePIGS can be merged seamlessly with low temperature path integral molecular dynamics calculations and note the similarities between the two methods. We also benchmark our energies against previous diffusion Monte Carlo calculations using the same potentials and compare to experimental results. We further demonstrate that accurate vibrational energies of the H2O and D2O monomer can be calculated from imaginary time correlation functions generated from the LePIGS simulations using solely the unity trial wavefunction.

Optimization of Supersonic Transport Trajectories

NASA Technical Reports Server (NTRS)

Ardema, Mark D.; Windhorst, Robert; Phillips, James

1998-01-01

This paper develops a near-optimal guidance law for generating minimum fuel, time, or cost fixed-range trajectories for supersonic transport aircraft. The approach uses a choice of new state variables along with singular perturbation techniques to time-scale decouple the dynamic equations into multiple equations of single order (second order for the fast dynamics). Application of the maximum principle to each of the decoupled equations, as opposed to application to the original coupled equations, avoids the two point boundary value problem and transforms the problem from one of a functional optimization to one of multiple function optimizations. It is shown that such an approach produces well known aircraft performance results such as minimizing the Brequet factor for minimum fuel consumption and the energy climb path. Furthermore, the new state variables produce a consistent calculation of flight path angle along the trajectory, eliminating one of the deficiencies in the traditional energy state approximation. In addition, jumps in the energy climb path are smoothed out by integration of the original dynamic equations at constant load factor. Numerical results performed for a supersonic transport design show that a pushover dive followed by a pullout at nominal load factors are sufficient maneuvers to smooth the jump.

Locally enhanced sampling molecular dynamics study of the dioxygen transport in human cytoglobin.

PubMed

Orlowski, Slawomir; Nowak, Wieslaw

2007-07-01

Cytoglobin (Cyg)--a new member of the vertebrate heme globin family--is expressed in many tissues of the human body but its physiological role is still unclear. It may deliver oxygen under hypoxia, serve as a scavenger of reactive species or be involved in collagen synthesis. This protein is usually six-coordinated and binds oxygen by a displacement of the distal HisE7 imidazole. In this paper, the results of 60 ns molecular dynamics (MD) simulations of dioxygen diffusion inside Cyg matrix are discussed. In addition to a classical MD trajectory, an approximate Locally Enhanced Sampling (LES) method has been employed. Classical diffusion paths were carefully analyzed, five cavities in dynamical structures were determined and at least four distinct ligand exit paths were identified. The most probable exit/entry path is connected with a large tunnel present in Cyg. Several residues that are perhaps critical for kinetics of small gaseous diffusion were discovered. A comparison of gaseous ligand transport in Cyg and in the most studied heme protein myoglobin is presented. Implications of efficient oxygen transport found in Cyg to its possible physiological role are discussed.

Automated analysis of information processing, kinetic independence and modular architecture in biochemical networks using MIDIA.

PubMed

Bowsher, Clive G

2011-02-15

Understanding the encoding and propagation of information by biochemical reaction networks and the relationship of such information processing properties to modular network structure is of fundamental importance in the study of cell signalling and regulation. However, a rigorous, automated approach for general biochemical networks has not been available, and high-throughput analysis has therefore been out of reach. Modularization Identification by Dynamic Independence Algorithms (MIDIA) is a user-friendly, extensible R package that performs automated analysis of how information is processed by biochemical networks. An important component is the algorithm's ability to identify exact network decompositions based on both the mass action kinetics and informational properties of the network. These modularizations are visualized using a tree structure from which important dynamic conditional independence properties can be directly read. Only partial stoichiometric information needs to be used as input to MIDIA, and neither simulations nor knowledge of rate parameters are required. When applied to a signalling network, for example, the method identifies the routes and species involved in the sequential propagation of information between its multiple inputs and outputs. These routes correspond to the relevant paths in the tree structure and may be further visualized using the Input-Output Path Matrix tool. MIDIA remains computationally feasible for the largest network reconstructions currently available and is straightforward to use with models written in Systems Biology Markup Language (SBML). The package is distributed under the GNU General Public License and is available, together with a link to browsable Supplementary Material, at http://code.google.com/p/midia. Further information is at www.maths.bris.ac.uk/~macgb/Software.html.

Characterization of a Dynamic String Method for the Construction of Transition Pathways in Molecular Reactions

PubMed Central

Johnson, Margaret E.; Hummer, Gerhard

2012-01-01

We explore the theoretical foundation of different string methods used to find dominant reaction pathways in high-dimensional configuration spaces. Pathways are assessed by the amount of reactive flux they carry and by their orientation relative to the committor function. By examining the effects of transforming between different collective coordinates that span the same underlying space, we unmask artificial coordinate dependences in strings optimized to follow the free energy gradient. In contrast, strings optimized to follow the drift vector produce reaction pathways that are significantly less sensitive to reparameterizations of the collective coordinates. The differences in these paths arise because the drift vector depends on both the free energy gradient and the diffusion tensor of the coarse collective variables. Anisotropy and position dependence of diffusion tensors arise commonly in spaces of coarse variables, whose generally slow dynamics are obtained by nonlinear projections of the strongly coupled atomic motions. We show here that transition paths constructed to account for dynamics by following the drift vector will (to a close approximation) carry the maximum reactive flux both in systems with isotropic position dependent diffusion, and in systems with constant but anisotropic diffusion. We derive a simple method for calculating the committor function along paths that follow the reactive flux. Lastly, we provide guidance for the practical implementation of the dynamic string method. PMID:22616575

Amoeba-Inspired Heuristic Search Dynamics for Exploring Chemical Reaction Paths.

PubMed

Aono, Masashi; Wakabayashi, Masamitsu

2015-09-01

We propose a nature-inspired model for simulating chemical reactions in a computationally resource-saving manner. The model was developed by extending our previously proposed heuristic search algorithm, called "AmoebaSAT [Aono et al. 2013]," which was inspired by the spatiotemporal dynamics of a single-celled amoeboid organism that exhibits sophisticated computing capabilities in adapting to its environment efficiently [Zhu et al. 2013]. AmoebaSAT is used for solving an NP-complete combinatorial optimization problem [Garey and Johnson 1979], "the satisfiability problem," and finds a constraint-satisfying solution at a speed that is dramatically faster than one of the conventionally known fastest stochastic local search methods [Iwama and Tamaki 2004] for a class of randomly generated problem instances [ http://www.cs.ubc.ca/~hoos/5/benchm.html ]. In cases where the problem has more than one solution, AmoebaSAT exhibits dynamic transition behavior among a variety of the solutions. Inheriting these features of AmoebaSAT, we formulate "AmoebaChem," which explores a variety of metastable molecules in which several constraints determined by input atoms are satisfied and generates dynamic transition processes among the metastable molecules. AmoebaChem and its developed forms will be applied to the study of the origins of life, to discover reaction paths for which expected or unexpected organic compounds may be formed via unknown unstable intermediates and to estimate the likelihood of each of the discovered paths.

Nonpreemptive run-time scheduling issues on a multitasked, multiprogrammed multiprocessor with dependencies, bidimensional tasks, folding and dynamic graphs

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

Miller, Allan Ray

1987-05-01

Increases in high speed hardware have mandated studies in software techniques to exploit the parallel capabilities. This thesis examines the effects a run-time scheduler has on a multiprocessor. The model consists of directed, acyclic graphs, generated from serial FORTRAN benchmark programs by the parallel compiler Parafrase. A multitasked, multiprogrammed environment is created. Dependencies are generated by the compiler. Tasks are bidimensional, i.e., they may specify both time and processor requests. Processor requests may be folded into execution time by the scheduler. The graphs may arrive at arbitrary time intervals. The general case is NP-hard, thus, a variety of heuristics aremore » examined by a simulator. Multiprogramming demonstrates a greater need for a run-time scheduler than does monoprogramming for a variety of reasons, e.g., greater stress on the processors, a larger number of independent control paths, more variety in the task parameters, etc. The dynamic critical path series of algorithms perform well. Dynamic critical volume did not add much. Unfortunately, dynamic critical path maximizes turnaround time as well as throughput. Two schedulers are presented which balance throughput and turnaround time. The first requires classification of jobs by type; the second requires selection of a ratio value which is dependent upon system parameters. 45 refs., 19 figs., 20 tabs.« less

Dynamic fair node spectrum allocation for ad hoc networks using random matrices

NASA Astrophysics Data System (ADS)

Rahmes, Mark; Lemieux, George; Chester, Dave; Sonnenberg, Jerry

2015-05-01

Dynamic Spectrum Access (DSA) is widely seen as a solution to the problem of limited spectrum, because of its ability to adapt the operating frequency of a radio. Mobile Ad Hoc Networks (MANETs) can extend high-capacity mobile communications over large areas where fixed and tethered-mobile systems are not available. In one use case with high potential impact, cognitive radio employs spectrum sensing to facilitate the identification of allocated frequencies not currently accessed by their primary users. Primary users own the rights to radiate at a specific frequency and geographic location, while secondary users opportunistically attempt to radiate at a specific frequency when the primary user is not using it. We populate a spatial radio environment map (REM) database with known information that can be leveraged in an ad hoc network to facilitate fair path use of the DSA-discovered links. Utilization of high-resolution geospatial data layers in RF propagation analysis is directly applicable. Random matrix theory (RMT) is useful in simulating network layer usage in nodes by a Wishart adjacency matrix. We use the Dijkstra algorithm for discovering ad hoc network node connection patterns. We present a method for analysts to dynamically allocate node-node path and link resources using fair division. User allocation of limited resources as a function of time must be dynamic and based on system fairness policies. The context of fair means that first available request for an asset is not envied as long as it is not yet allocated or tasked in order to prevent cycling of the system. This solution may also save money by offering a Pareto efficient repeatable process. We use a water fill queue algorithm to include Shapley value marginal contributions for allocation.

Methods and apparatus for removal and control of material in laser drilling of a borehole

DOEpatents

Rinzler, Charles C; Zediker, Mark S; Faircloth, Brian O; Moxley, Joel F

2014-01-28

The removal of material from the path of a high power laser beam during down hole laser operations including drilling of a borehole and removal of displaced laser effected borehole material from the borehole during laser operations. In particular, paths, dynamics and parameters of fluid flows for use in conjunction with a laser bottom hole assembly.

Methods and apparatus for removal and control of material in laser drilling of a borehole

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

Rinzler, Charles C.; Zediker, Mark S.; Faircloth, Brian O.

2016-12-06

The removal of material from the path of a high power laser beam during down hole laser operations including drilling of a borehole and removal of displaced laser effected borehole material from the borehole during laser operations. In particular, paths, dynamics and parameters of fluid flows for use in conjunction with a laser bottom hole assembly.

Derivation of the Schrodinger Equation from the Hamilton-Jacobi Equation in Feynman's Path Integral Formulation of Quantum Mechanics

ERIC Educational Resources Information Center

Field, J. H.

2011-01-01

It is shown how the time-dependent Schrodinger equation may be simply derived from the dynamical postulate of Feynman's path integral formulation of quantum mechanics and the Hamilton-Jacobi equation of classical mechanics. Schrodinger's own published derivations of quantum wave equations, the first of which was also based on the Hamilton-Jacobi…

Mechanisms and dynamics of protonation and lithiation of ferrocene.

PubMed

Sharma, Nishant; Ajay, Jayanth K; Venkatasubbaiah, Krishnan; Lourderaj, Upakarasamy

2015-09-14

By elucidating the mechanism of the simplest electrophilic substitution reaction of ferrocene, it was found that the verification of the protonation reaction has been a difficulty. In the work reported here, ab initio chemical dynamics simulations were performed at B3LYP/DZVP level of theory to understand the atomic level mechanisms of protonation and lithiation of ferrocene. Protonation of ferrocene resulted in the agostic and metal-protonated forms. Trajectory calculations revealed that protonation of ferrocene occurs by exo and endo mechanisms, with exo being the major path. H(+) was found to be mobile and hopped from the Cp ring to the metal center and vice versa after the initial attack on ferrocene, with the metal-complex having a shorter lifetime. These results remove the ambiguity surrounding the mechanism, as proposed in earlier experimental and computational studies. Lithiation of ferrocene resulted in the formation of cation-π and metal-lithiated complexes. Similar to protonation, trajectory results revealed that both exo and endo paths were followed, with the exo path being the major one. In addition, lithiated-ferrocene exhibited planetary motion. The major path (exo) followed in the protonation and lithiation of ferrocene is consistent with the observations in earlier experimental studies for other hard electrophiles.

Parametric diagnosis of the adaptive gas path in the automatic control system of the aircraft engine

NASA Astrophysics Data System (ADS)

Kuznetsova, T. A.

2017-01-01

The paper dwells on the adaptive multimode mathematical model of the gas-turbine aircraft engine (GTE) embedded in the automatic control system (ACS). The mathematical model is based on the throttle performances, and is characterized by high accuracy of engine parameters identification in stationary and dynamic modes. The proposed on-board engine model is the state space linearized low-level simulation. The engine health is identified by the influence of the coefficient matrix. The influence coefficient is determined by the GTE high-level mathematical model based on measurements of gas-dynamic parameters. In the automatic control algorithm, the sum of squares of the deviation between the parameters of the mathematical model and real GTE is minimized. The proposed mathematical model is effectively used for gas path defects detecting in on-line GTE health monitoring. The accuracy of the on-board mathematical model embedded in ACS determines the quality of adaptive control and reliability of the engine. To improve the accuracy of identification solutions and sustainability provision, the numerical method of Monte Carlo was used. The parametric diagnostic algorithm based on the LPτ - sequence was developed and tested. Analysis of the results suggests that the application of the developed algorithms allows achieving higher identification accuracy and reliability than similar models used in practice.

Dynamic Speed Adaptation for Path Tracking Based on Curvature Information and Speed Limits †

PubMed Central

Gámez Serna, Citlalli; Ruichek, Yassine

2017-01-01

A critical concern of autonomous vehicles is safety. Different approaches have tried to enhance driving safety to reduce the number of fatal crashes and severe injuries. As an example, Intelligent Speed Adaptation (ISA) systems warn the driver when the vehicle exceeds the recommended speed limit. However, these systems only take into account fixed speed limits without considering factors like road geometry. In this paper, we consider road curvature with speed limits to automatically adjust vehicle’s speed with the ideal one through our proposed Dynamic Speed Adaptation (DSA) method. Furthermore, ‘curve analysis extraction’ and ‘speed limits database creation’ are also part of our contribution. An algorithm that analyzes GPS information off-line identifies high curvature segments and estimates the speed for each curve. The speed limit database contains information about the different speed limit zones for each traveled path. Our DSA senses speed limits and curves of the road using GPS information and ensures smooth speed transitions between current and ideal speeds. Through experimental simulations with different control algorithms on real and simulated datasets, we prove that our method is able to significantly reduce lateral errors on sharp curves, to respect speed limits and consequently increase safety and comfort for the passenger. PMID:28613251

[Prevention of stress in the workplace].

PubMed

Vaccani, R

2009-01-01

The chronological/logical path goes from the base distinction that classify the stressing phenomena between the two categories, eu-stress and dis-stress. It is underlined the subjective characteristic of stressing processes, the statement that what might be eu-stress for someone can be dis-stress for others. The organizational setting can be considered as a privileged preventive intervention area. Therefore it is suggested this categorization for the stress organizational causes: Causes connected to the organizational system (Incoherencies or structural understaffing, procedural incoherencies); Causes connected to the wrong alignment of competencies; Causes connected to the wrong alignment of aptitudes; Causes connected to the social dynamics of abuse of power. The categories to differentiate the stress organizational causes are proposed to give a useful glossary to design various preventive actions: Preventive actions on the organizational setting; Preventive actions through education; Preventive actions about role redesign; Preventive actions aimed at sustaining ethical social cohabitation. Finally, it is assessed that the approach to organizational stress requires an holistic, multi disciplinary perspective analysis, able to connect the ethic and qualitative characteristic of the markets (closed and open markets) to the organizational setting, to the subject peculiar character at work and its impact with working roles, to the social dynamics derived from hierarchical roles, to the organizational moods, to the individual perceptions, to the clinical paths.

Real-time maneuver optimization of space-based robots in a dynamic environment: Theory and on-orbit experiments

NASA Astrophysics Data System (ADS)

Chamitoff, Gregory E.; Saenz-Otero, Alvar; Katz, Jacob G.; Ulrich, Steve; Morrell, Benjamin J.; Gibbens, Peter W.

2018-01-01

This paper presents the development of a real-time path-planning optimization approach to controlling the motion of space-based robots. The algorithm is capable of planning three dimensional trajectories for a robot to navigate within complex surroundings that include numerous static and dynamic obstacles, path constraints and performance limitations. The methodology employs a unique transformation that enables rapid generation of feasible solutions for complex geometries, making it suitable for application to real-time operations and dynamic environments. This strategy was implemented on the Synchronized Position Hold Engage Reorient Experimental Satellite (SPHERES) test-bed on the International Space Station (ISS), and experimental testing was conducted onboard the ISS during Expedition 17 by the first author. Lessons learned from the on-orbit tests were used to further refine the algorithm for future implementations.

Flat panel X-ray detector with reduced internal scattering for improved attenuation accuracy and dynamic range

DOEpatents

Smith, Peter D [Santa Fe, NM; Claytor, Thomas N [White Rock, NM; Berry, Phillip C [Albuquerque, NM; Hills, Charles R [Los Alamos, NM

2010-10-12

An x-ray detector is disclosed that has had all unnecessary material removed from the x-ray beam path, and all of the remaining material in the beam path made as light and as low in atomic number as possible. The resulting detector is essentially transparent to x-rays and, thus, has greatly reduced internal scatter. The result of this is that x-ray attenuation data measured for the object under examination are much more accurate and have an increased dynamic range. The benefits of this improvement are that beam hardening corrections can be made accurately, that computed tomography reconstructions can be used for quantitative determination of material properties including density and atomic number, and that lower exposures may be possible as a result of the increased dynamic range.

Quantification and Control of Wall Effects in Porous Media Experiments

NASA Astrophysics Data System (ADS)

Roth, E. J.; Mays, D. C.; Neupauer, R.; Crimaldi, J. P.

2017-12-01

Fluid flow dynamics in porous media are dominated by media heterogeneity. This heterogeneity can create preferential pathways in which local seepage velocities dwarf system seepage velocities, further complicating an already incomplete understanding of dispersive processes. In physical models of porous media flows, apparatus walls introduce preferential flow paths (i.e., wall effects) that may overwhelm other naturally occurring preferential pathways within the apparatus, leading to deceptive results. We used planar laser-induced fluorescence (PLIF) in conjunction with refractive index matched (RIM) porous media and pore fluid to observe fluid dynamics in the porous media, with particular attention to the region near the apparatus walls in a 17 cm x 8 cm x 7 cm uniform flow cell. Hexagonal close packed spheres were used to create an isotropic, homogenous porous media field in the interior of the apparatus. Visualization of the movement of a fluorescent dye revealed the influence of the wall in creating higher permeability preferential flow paths in an otherwise homogenous media packing. These preferential flow paths extended approximately one half of one sphere diameter from the wall for homogenously packed regions, with a quickly diminishing effect on flow dynamics for homogenous media adjacent to the preferential pathway, but with major influence on flow dynamics for adjoining heterogeneous regions. Multiple approaches to mitigate wall effects were investigated, and a modified wall was created such that the fluid dynamics near the wall mimics the fluid dynamics within the homogenous porous media. This research supports the design of a two-dimensional experimental apparatus that will simulate engineered pumping schemes for use in contaminant remediation. However, this research could benefit the design of fixed bed reactors or other engineering challenges in which vessel walls contribute to unwanted preferential flow.

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

PubMed

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

2014-10-01

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

Aerolian erosion, transport, and deposition of volcaniclastic sands among the shifting sand dunes, Christmas Lake Valley, Oregon: TIMS image analysis

NASA Technical Reports Server (NTRS)

Edgett, Kenneth S.; Ramsey, Michael S.; Christensen, Philip R.

1995-01-01

Remote sensing is a tool that, in the context of aeolian studies, offers a synoptic view of a dune field, sand sea, or entire desert region. Blount et al. (1990) presented one of the first studies demonstrating the power of multispectral images for interpreting the dynamic history of an aeolian sand sea. Blount's work on the Gran Desierto of Mexico used a Landsat TM scene and a linear spectral mixing model to show where different sand populations occur and along what paths these sands may have traveled before becoming incorporated into dunes. Interpretation of sand transport paths and sources in the Gran Desierto led to an improved understanding of the origin and Holocene history of the dunes. With the anticipated advent of the EOS-A platform and ASTER thermal infrared capability in 1998, it will become possible to look at continental sand seas and map sand transport paths using 8-12 mu m bands that are well-suited to tracking silicate sediments. A logical extension of Blount's work is to attempt a similar study using thermal infrared images. One such study has already begun by looking at feldspar, quartz, magnetite, and clay distributions in the Kelso Dunes of southern California. This paper describes the geology and application of TIMS image analysis of a less-well known Holocene dune field in south central Oregon using TIMS data obtained in 1991.

4D measurements of biological and synthetic structures using a dynamic interferometer

NASA Astrophysics Data System (ADS)

Toto-Arellano, Noel-Ivan

2017-12-01

Considering the deficiency of time elapsed for phase-stepping interferometric techniques and the need of developing non-contact and on-line measurement with high accuracy, a single-shot phase-shifting triple-interferometer (PSTI) is developed for analysis of characteristics of transparent structures and optical path difference (OPD) measurements. In the proposed PSTI, coupled three interferometers which generate four interference patterns, and a polarizer array is used as phase shifters to produce four spatially separated interferograms with π/2-phase shifts, which are recorded in a single capture by a camera. The configuration of the PSTI allows dynamic measurements (4D measurements) and does not require vibration isolation. We have applied the developed system to examine the size and OPD of cells, and the slope of thin films

Microfog lubrication for aircraft engine bearings

NASA Technical Reports Server (NTRS)

Rosenlieb, J. W.

1976-01-01

An analysis and system study was performed to provide design information regarding lubricant and coolant flow rates and flow paths for effective utilization of the lubricant and coolant in a once through bearing oil mist (microfog) and coolant air system. Both static and dynamic tests were performed. Static tests were executed to evaluate and calibrate the mist supply system. A total of thirteen dynamic step speed bearing tests were performed using four different lubricants and several different mist and air supply configurations. The most effective configuration consisted of supplying the mist and the major portion of the cooling air axially through the bearing. The results of these tests have shown the feasibility of using a once through oil mist and cooling air system to lubricate and cool a high speed, high temperature aircraft engine mainshaft bearing.

Engine System Loads Development for the Fastrac 60K Flight Engine

NASA Technical Reports Server (NTRS)

Frady, Greg; Christensen, Eric R.; Mims, Katherine; Harris, Don; Parks, Russell; Brunty, Joseph

2000-01-01

Early implementation of structural dynamics finite element analyses for calculation of design loads is considered common design practice for high volume manufacturing industries such as automotive and aeronautical industries. However, with the rarity of rocket engine development programs starts, these tools are relatively new to the design of rocket engines. In the new Fastrac engine program, the focus has been to reduce the cost to weight ratio; current structural dynamics analysis practices were tailored in order to meet both production and structural design goals. Perturbation of rocket engine design parameters resulted in a number of Fastrac load cycles necessary to characterize the impact due to mass and stiffness changes. Evolution of loads and load extraction methodologies, parametric considerations and a discussion of load path sensitivities are discussed.

Finite element analysis using NASTRAN applied to helicopter transmission vibration/noise reduction

NASA Technical Reports Server (NTRS)

Howells, R. W.; Sciarra, J. J.

1975-01-01

A finite element NASTRAN model of the complete forward rotor transmission housing for the Boeing Vertol CH-47 helicopter was developed and applied to reduce transmission vibration/noise at its source. In addition to a description of the model, a technique for vibration/noise prediction and reduction is outlined. Also included are the dynamic response as predicted by NASTRAN, test data, the use of strain energy methods to optimize the housing for minimum vibration/noise, and determination of design modifications which will be manufactured and tested. The techniques presented are not restricted to helicopters but are applicable to any power transmission system. The transmission housing model developed can be used further to evaluate static and dynamic stresses, thermal distortions, deflections and load paths, fail-safety/vulnerability, and composite materials.

Longitudinal control effectiveness and entry dynamics of a single-stage-to-orbit vehicle

NASA Technical Reports Server (NTRS)

Vinh, N. X.; Lin, C. F.

1982-01-01

The classical theory of flight dynamics for airplane longitudinal stability and control analysis was extended to the case of a hypervelocity reentry vehicle. This includes the elements inherent in supersonic and hypersonic flight such as the influence of the Mach number on aerodynamic characteristics, and the effect of the reaction control system and aerodynamic controls on the trim condition through a wide range of speed. Phugoid motion and angle of attack oscillation for typical cases of cruising flight, ballistic entry, and glide entry are investigated. In each case, closed form solutions for the variations in altitude, flight path angle, speed and angle of attack are obtained. The solutions explicitly display the influence of different regions design parameters and trajectory variables on the stability of the motion.

Atomistic potentials based energy flux integral criterion for dynamic adiabatic shear banding

NASA Astrophysics Data System (ADS)

Xu, Yun; Chen, Jun

2015-02-01

The energy flux integral criterion based on atomistic potentials within the framework of hyperelasticity-plasticity is proposed for dynamic adiabatic shear banding (ASB). System Helmholtz energy decomposition reveals that the dynamic influence on the integral path dependence is originated from the volumetric strain energy and partial deviatoric strain energy, and the plastic influence only from the rest part of deviatoric strain energy. The concept of critical shear banding energy is suggested for describing the initiation of ASB, which consists of the dynamic recrystallization (DRX) threshold energy and the thermal softening energy. The criterion directly relates energy flux to the basic physical processes that induce shear instability such as dislocation nucleations and multiplications, without introducing ad-hoc parameters in empirical constitutive models. It reduces to the classical path independent J-integral for quasi-static loading and elastic solids. The atomistic-to-continuum multiscale coupling method is used to simulate the initiation of ASB. Atomic configurations indicate that DRX induced microstructural softening may be essential to the dynamic shear localization and hence the initiation of ASB.

Static and Dynamic Reservoir Characterization Using High Resolution P-Wave Velocity Data in Delhi Field, la

NASA Astrophysics Data System (ADS)

Hussain, S.; Davis, T.

2012-12-01

Static and dynamic reservoir characterization was done on high resolution P-wave seismic data in Delhi Field, LA to study the complex stratigraphy of the Holt-Bryant sands and to delineate the CO2 flow path. The field is undergoing CO2 injection for enhanced oil recovery. The seismic data was bandwidth extended by Geotrace to decrease the tuning thickness effect. Once the authenticity of the added frequencies in the data was determined, the interpretation helped map thin Tuscaloosa and Paluxy sands. Cross-equalization was done on the baseline and monitor surveys to remove the non-repeatable noise in the data. Acoustic impedance (AI) inversion was done on the baseline and monitor surveys to map the changes in AI with CO2 injection in the field. Figure 1 shows the AI percentage change at Base Paluxy. The analysis helped identify areas that were not being swept by CO2. Figure 2 shows the CO2 flow paths in Tuscaloosa formation. The percentage change of AI with CO2 injection and pressure increase corresponded with the fluid substitution modeling results. Time-lapse interpretation helped in delineating the channels, high permeability zones and the bypassed zones in the reservoir.; Figure 1: P-impedance percentage difference map with a 2 ms window centered at the base of Paluxy with the production data from June 2010 overlain; the black dashed line is the oil-water contact; notice the negative impedance change below the OWC. The lighter yellow color shows area where Paluxy is not being swept completely. ; Figure 2: P-impedance percentage difference map at TUSC 7 top; the white triangles are TUSC 7 injectors and the white circles are TUSC 7 producers; the black polygons show the flow paths of CO2.

Changes in the limb kinematics and walking-distance estimation after shank elongation: evidence for a locomotor body schema?

PubMed

Dominici, Nadia; Daprati, Elena; Nico, Daniele; Cappellini, Germana; Ivanenko, Yuri P; Lacquaniti, Francesco

2009-03-01

When walking, step length provides critical information on traveled distance along the ongoing path [corrected] Little is known on the role that knowledge about body dimensions plays within this process. Here we directly addressed this question by evaluating whether changes in body proportions interfere with computation of traveled distance for targets located outside the reaching space. We studied locomotion and distance estimation in an achondroplastic child (ACH, 11 yr) before and after surgical elongation of the shank segments of both lower limbs and in healthy adults walking on stilts, designed to mimic shank-segment elongation. Kinematic analysis of gait revealed that dynamic coupling of the thigh, shank, and foot segments changed substantially as a result of elongation. Step length remained unvaried, in spite of the significant increase in total limb length ( approximately 1.5-fold). These relatively shorter strides resulted from smaller oscillations of the shank segment, as would be predicted by proportional increments in limb size and not by asymmetrical segmental increment as in the present case (length of thighs was not modified). Distance estimation was measured by walking with eyes closed toward a memorized target. Before surgery, the behavior of ACH was comparable to that of typically developing participants. In contrast, following shank elongation, the ACH walked significantly shorter distances when aiming at the same targets. Comparable changes in limb kinematics, stride length, and estimation of traveled distance were found in adults wearing on stilts, suggesting that path integration errors in both cases were related to alterations in the intersegmental coordination of the walking limbs. The results are consistent with a dynamic locomotor body schema used for controlling step length and path estimation, based on inherent relationships between gait parameters and body proportions.

Eigenstates and dynamics of Hooke's atom: Exact results and path integral simulations

NASA Astrophysics Data System (ADS)

Gholizadehkalkhoran, Hossein; Ruokosenmäki, Ilkka; Rantala, Tapio T.

2018-05-01

The system of two interacting electrons in one-dimensional harmonic potential or Hooke's atom is considered, again. On one hand, it appears as a model for quantum dots in a strong confinement regime, and on the other hand, it provides us with a hard test bench for new methods with the "space splitting" arising from the one-dimensional Coulomb potential. Here, we complete the numerous previous studies of the ground state of Hooke's atom by including the excited states and dynamics, not considered earlier. With the perturbation theory, we reach essentially exact eigenstate energies and wave functions for the strong confinement regime as novel results. We also consider external perturbation induced quantum dynamics in a simple separable case. Finally, we test our novel numerical approach based on real-time path integrals (RTPIs) in reproducing the above. The RTPI turns out to be a straightforward approach with exact account of electronic correlations for solving the eigenstates and dynamics without the conventional restrictions of electronic structure methods.

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

Chen, Hang, E-mail: hangchen@mit.edu; Thill, Peter; Cao, Jianshu

In biochemical systems, intrinsic noise may drive the system switch from one stable state to another. We investigate how kinetic switching between stable states in a bistable network is influenced by dynamic disorder, i.e., fluctuations in the rate coefficients. Using the geometric minimum action method, we first investigate the optimal transition paths and the corresponding minimum actions based on a genetic toggle switch model in which reaction coefficients draw from a discrete probability distribution. For the continuous probability distribution of the rate coefficient, we then consider two models of dynamic disorder in which reaction coefficients undergo different stochastic processes withmore » the same stationary distribution. In one, the kinetic parameters follow a discrete Markov process and in the other they follow continuous Langevin dynamics. We find that regulation of the parameters modulating the dynamic disorder, as has been demonstrated to occur through allosteric control in bistable networks in the immune system, can be crucial in shaping the statistics of optimal transition paths, transition probabilities, and the stationary probability distribution of the network.« less

Sediment transport modelling based on grain size trend analysis in Augusta Harbour (Sicily)

NASA Astrophysics Data System (ADS)

Barbera, Giuseppe; Feo, Roberto; Freni, Gabriele

2015-12-01

To support marine civil engineer in pollutant studies, sediment management or dredging operations, is useful to know how the sediments move in accumulation basin. This paper investigates the dynamic of the sediment path using a two-dimensional numeric model: the Grain Size Trend Analysis (GSTA). The GSTA was applied using GiSedTrend plugin, under GIS software. The case study is the Augusta Harbour, which is one of the most polluted Italian harbours. It is the marine part of the Site of National Interest (SNI) of Priolo Gargallo (Siracusa, Italy) and it can be hydrodynamically considered as a lagoon. Two scenarios were obtained by using different geostatistical criteria.

Analysis and design of a capsule landing system and surface vehicle control system for Mars exploration

NASA Technical Reports Server (NTRS)

Frederick, D. K.; Lashmet, P. K.; Sandor, G. N.; Shen, C. N.; Smith, E. J.; Yerazunis, S. W.

1971-01-01

Investigation of problems related to control of a mobile planetary vehicle according to a systematic plan for the exploration of Mars has been undertaken. Problem areas receiving attention include: (1) overall systems analysis; (2) vehicle configuration and dynamics; (3) toroidal wheel design and evaluation; (4) on-board navigation systems; (5) satellite-vehicle navigation systems; (6) obstacle detection systems; (7) terrain sensing, interpretation and modeling; (8) computer simulation of terrain sensor-path selection systems; and (9) chromatographic systems design concept studies. The specific tasks which have been undertaken are defined and the progress which has been achieved during the period July 1, 1971 to December 31, 1971 is summarized.

Modeling Personnel Turnover in the Parametric Organization

NASA Technical Reports Server (NTRS)

Dean, Edwin B.

1991-01-01

A primary issue in organizing a new parametric cost analysis function is to determine the skill mix and number of personnel required. The skill mix can be obtained by a functional decomposition of the tasks required within the organization and a matrixed correlation with educational or experience backgrounds. The number of personnel is a function of the skills required to cover all tasks, personnel skill background and cross training, the intensity of the workload for each task, migration through various tasks by personnel along a career path, personnel hiring limitations imposed by management and the applicant marketplace, personnel training limitations imposed by management and personnel capability, and the rate at which personnel leave the organization for whatever reason. Faced with the task of relating all of these organizational facets in order to grow a parametric cost analysis (PCA) organization from scratch, it was decided that a dynamic model was required in order to account for the obvious dynamics of the forming organization. The challenge was to create such a simple model which would be credible during all phases of organizational development. The model development process was broken down into the activities of determining the tasks required for PCA, determining the skills required for each PCA task, determining the skills available in the applicant marketplace, determining the structure of the dynamic model, implementing the dynamic model, and testing the dynamic model.

Simulation of dental collisions and occlusal dynamics in the virtual environment.

PubMed

Stavness, I K; Hannam, A G; Tobias, D L; Zhang, X

2016-04-01

Semi-adjustable articulators have often been used to simulate occlusal dynamics, but advances in intra-oral scanning and computer software now enable dynamics to be modelled mathematically. Computer simulation of occlusal dynamics requires accurate virtual casts, records to register them and methods to handle mesh collisions during movement. Here, physical casts in a semi-adjustable articulator were scanned with a conventional clinical intra-oral scanner. A coordinate measuring machine was used to index their positions in intercuspation, protrusion, right and left laterotrusion, and to model features of the articulator. Penetrations between the indexed meshes were identified and resolved using restitution forces, and the final registrations were verified by distance measurements between dental landmarks at multiple sites. These sites were confirmed as closely approximating via measurements made from homologous transilluminated vinylpolysiloxane interocclusal impressions in the mounted casts. Movements between the indexed positions were simulated with two models in a custom biomechanical software platform. In model DENTAL, 6 degree-of-freedom movements were made to minimise deviation from a straight line path and also shaped by dynamic mesh collisions detected and resolved mathematically. In model ARTIC, the paths were further constrained by surfaces matching the control settings of the articulator. Despite these differences, the lower mid-incisor point paths were very similar in both models. The study suggests that mathematical simulation utilising interocclusal 'bite' registrations can closely replicate the primary movements of casts mounted in a semi-adjustable articulator. Additional indexing positions and appropriate software could, in some situations, replace the need for mechanical semi-adjustable articulation and/or its virtual representation. © 2015 John Wiley & Sons Ltd.

Generalized Path Analysis and Generalized Simultaneous Equations Model for Recursive Systems with Responses of Mixed Types

ERIC Educational Resources Information Center

Tsai, Tien-Lung; Shau, Wen-Yi; Hu, Fu-Chang

2006-01-01

This article generalizes linear path analysis (PA) and simultaneous equations models (SiEM) to deal with mixed responses of different types in a recursive or triangular system. An efficient instrumental variable (IV) method for estimating the structural coefficients of a 2-equation partially recursive generalized path analysis (GPA) model and…

Querying databases of trajectories of differential equations 2: Index functions

NASA Technical Reports Server (NTRS)

Grossman, Robert

1991-01-01

Suppose that a large number of parameterized trajectories (gamma) of a dynamical system evolving in R sup N are stored in a database. Let eta is contained R sup N denote a parameterized path in Euclidean space, and let parallel to center dot parallel to denote a norm on the space of paths. A data structures and indices for trajectories are defined and algorithms are given to answer queries of the following forms: Query 1. Given a path eta, determine whether eta occurs as a subtrajectory of any trajectory gamma from the database. If so, return the trajectory; otherwise, return null. Query 2. Given a path eta, return the trajectory gamma from the database which minimizes the norm parallel to eta - gamma parallel.

Kinematic path planning for space-based robotics

NASA Astrophysics Data System (ADS)

Seereeram, Sanjeev; Wen, John T.

1998-01-01

Future space robotics tasks require manipulators of significant dexterity, achievable through kinematic redundancy and modular reconfigurability, but with a corresponding complexity of motion planning. Existing research aims for full autonomy and completeness, at the expense of efficiency, generality or even user friendliness. Commercial simulators require user-taught joint paths-a significant burden for assembly tasks subject to collision avoidance, kinematic and dynamic constraints. Our research has developed a Kinematic Path Planning (KPP) algorithm which bridges the gap between research and industry to produce a powerful and useful product. KPP consists of three key components: path-space iterative search, probabilistic refinement, and an operator guidance interface. The KPP algorithm has been successfully applied to the SSRMS for PMA relocation and dual-arm truss assembly tasks. Other KPP capabilities include Cartesian path following, hybrid Cartesian endpoint/intermediate via-point planning, redundancy resolution and path optimization. KPP incorporates supervisory (operator) input at any detail to influence the solution, yielding desirable/predictable paths for multi-jointed arms, avoiding obstacles and obeying manipulator limits. This software will eventually form a marketable robotic planner suitable for commercialization in conjunction with existing robotic CAD/CAM packages.

UAV path planning using artificial potential field method updated by optimal control theory

NASA Astrophysics Data System (ADS)

Chen, Yong-bo; Luo, Guan-chen; Mei, Yue-song; Yu, Jian-qiao; Su, Xiao-long

2016-04-01

The unmanned aerial vehicle (UAV) path planning problem is an important assignment in the UAV mission planning. Based on the artificial potential field (APF) UAV path planning method, it is reconstructed into the constrained optimisation problem by introducing an additional control force. The constrained optimisation problem is translated into the unconstrained optimisation problem with the help of slack variables in this paper. The functional optimisation method is applied to reform this problem into an optimal control problem. The whole transformation process is deduced in detail, based on a discrete UAV dynamic model. Then, the path planning problem is solved with the help of the optimal control method. The path following process based on the six degrees of freedom simulation model of the quadrotor helicopters is introduced to verify the practicability of this method. Finally, the simulation results show that the improved method is more effective in planning path. In the planning space, the length of the calculated path is shorter and smoother than that using traditional APF method. In addition, the improved method can solve the dead point problem effectively.

Perfect discretization of reparametrization invariant path integrals

NASA Astrophysics Data System (ADS)

Bahr, Benjamin; Dittrich, Bianca; Steinhaus, Sebastian

2011-05-01

To obtain a well-defined path integral one often employs discretizations. In the case of gravity and reparametrization-invariant systems, the latter of which we consider here as a toy example, discretizations generically break diffeomorphism and reparametrization symmetry, respectively. This has severe implications, as these symmetries determine the dynamics of the corresponding system. Indeed we will show that a discretized path integral with reparametrization-invariance is necessarily also discretization independent and therefore uniquely determined by the corresponding continuum quantum mechanical propagator. We use this insight to develop an iterative method for constructing such a discretized path integral, akin to a Wilsonian RG flow. This allows us to address the problem of discretization ambiguities and of an anomaly-free path integral measure for such systems. The latter is needed to obtain a path integral, that can act as a projector onto the physical states, satisfying the quantum constraints. We will comment on implications for discrete quantum gravity models, such as spin foams.

Sampling-based real-time motion planning under state uncertainty for autonomous micro-aerial vehicles in GPS-denied environments.

PubMed

Li, Dachuan; Li, Qing; Cheng, Nong; Song, Jingyan

2014-11-18

This paper presents a real-time motion planning approach for autonomous vehicles with complex dynamics and state uncertainty. The approach is motivated by the motion planning problem for autonomous vehicles navigating in GPS-denied dynamic environments, which involves non-linear and/or non-holonomic vehicle dynamics, incomplete state estimates, and constraints imposed by uncertain and cluttered environments. To address the above motion planning problem, we propose an extension of the closed-loop rapid belief trees, the closed-loop random belief trees (CL-RBT), which incorporates predictions of the position estimation uncertainty, using a factored form of the covariance provided by the Kalman filter-based estimator. The proposed motion planner operates by incrementally constructing a tree of dynamically feasible trajectories using the closed-loop prediction, while selecting candidate paths with low uncertainty using efficient covariance update and propagation. The algorithm can operate in real-time, continuously providing the controller with feasible paths for execution, enabling the vehicle to account for dynamic and uncertain environments. Simulation results demonstrate that the proposed approach can generate feasible trajectories that reduce the state estimation uncertainty, while handling complex vehicle dynamics and environment constraints.

Sampling-Based Real-Time Motion Planning under State Uncertainty for Autonomous Micro-Aerial Vehicles in GPS-Denied Environments

PubMed Central

Li, Dachuan; Li, Qing; Cheng, Nong; Song, Jingyan

2014-01-01

This paper presents a real-time motion planning approach for autonomous vehicles with complex dynamics and state uncertainty. The approach is motivated by the motion planning problem for autonomous vehicles navigating in GPS-denied dynamic environments, which involves non-linear and/or non-holonomic vehicle dynamics, incomplete state estimates, and constraints imposed by uncertain and cluttered environments. To address the above motion planning problem, we propose an extension of the closed-loop rapid belief trees, the closed-loop random belief trees (CL-RBT), which incorporates predictions of the position estimation uncertainty, using a factored form of the covariance provided by the Kalman filter-based estimator. The proposed motion planner operates by incrementally constructing a tree of dynamically feasible trajectories using the closed-loop prediction, while selecting candidate paths with low uncertainty using efficient covariance update and propagation. The algorithm can operate in real-time, continuously providing the controller with feasible paths for execution, enabling the vehicle to account for dynamic and uncertain environments. Simulation results demonstrate that the proposed approach can generate feasible trajectories that reduce the state estimation uncertainty, while handling complex vehicle dynamics and environment constraints. PMID:25412217

Dynamic Tunnel Usability Study: Format Recommendations for Synthetic Vision System Primary Flight Displays

NASA Technical Reports Server (NTRS)

Arthur, Jarvis J., III; Prinzel, Lawrence J., III; Kramer, Lynda J.; Bailey, Randall E.

2006-01-01

A usability study evaluating dynamic tunnel concepts has been completed under the Aviation Safety and Security Program, Synthetic Vision Systems Project. The usability study was conducted in the Visual Imaging Simulator for Transport Aircraft Systems (VISTAS) III simulator in the form of questionnaires and pilot-in-the-loop simulation sessions. Twelve commercial pilots participated in the study to determine their preferences via paired comparisons and subjective rankings regarding the color, line thickness and sensitivity of the dynamic tunnel. The results of the study showed that color was not significant in pilot preference paired comparisons or in pilot rankings. Line thickness was significant for both pilot preference paired comparisons and in pilot rankings. The preferred line/halo thickness combination was a line width of 3 pixels and a halo of 4 pixels. Finally, pilots were asked their preference for the current dynamic tunnel compared to a less sensitive dynamic tunnel. The current dynamic tunnel constantly gives feedback to the pilot with regard to path error while the less sensitive tunnel only changes as the path error approaches the edges of the tunnel. The tunnel sensitivity comparison results were not statistically significant.

Transition path time distributions for Lévy flights

NASA Astrophysics Data System (ADS)

Janakiraman, Deepika

2018-07-01

This paper presents a study of transition path time distributions for Lévy noise-induced barrier crossing. Transition paths are short segments of the reactive trajectories and span the barrier region of the potential without spilling into the reactant/product wells. The time taken to traverse this segment is referred to as the transition path time. Since the transition path is devoid of excursions in the minimum, the corresponding time will give the exclusive barrier crossing time, unlike . This work explores the distribution of transition path times for superdiffusive barrier crossing, analytically. This is made possible by approximating the barrier by an inverted parabola. Using this approximation, the distributions are evaluated in both over- and under-damped limits of friction. The short-time behaviour of the distributions, provide analytical evidence for single-step transition events—a feature in Lévy-barrier crossing as observed in prior simulation studies. The average transition path time is calculated as a function of the Lévy index (α), and the optimal value of α leading to minimum average transition path time is discussed, in both the limits of friction. Langevin dynamics simulations corroborating with the analytical results are also presented.

Thermal Analysis of Magnetically-Coupled Pump for Cryogenic Applications

NASA Technical Reports Server (NTRS)

Senocak, Inanc; Udaykumar, H. S.; Ndri, Narcisse; Francois, Marianne; Shyy, Wei

1999-01-01

Magnetically-coupled pump is under evaluation at Kennedy Space Center for possible cryogenic applications. A major concern is the impact of low temperature fluid flows on the pump performance. As a first step toward addressing this and related issues, a computational fluid dynamics and heat transfer tool has been adopted in a pump geometry. The computational tool includes (i) a commercial grid generator to handle multiple grid blocks and complicated geometric definitions, and (ii) an in-house computational fluid dynamics and heat transfer software developed in the Principal Investigator's group at the University of Florida. Both pure-conduction and combined convection-conduction computations have been conducted. A pure-conduction analysis gives insufficient information about the overall thermal distribution. Combined convection-conduction analysis indicates the significant influence of the coolant over the entire flow path. Since 2-D simulation is of limited help, future work on full 3-D modeling of the pump using multi-materials is needed. A comprehensive and accurate model can be developed to take into account the effect of multi-phase flow in the cooling flow loop, and the magnetic interactions.

Variational Identification of Markovian Transition States

NASA Astrophysics Data System (ADS)

Martini, Linda; Kells, Adam; Covino, Roberto; Hummer, Gerhard; Buchete, Nicolae-Viorel; Rosta, Edina

2017-07-01

We present a method that enables the identification and analysis of conformational Markovian transition states from atomistic or coarse-grained molecular dynamics (MD) trajectories. Our algorithm is presented by using both analytical models and examples from MD simulations of the benchmark system helix-forming peptide Ala5 , and of larger, biomedically important systems: the 15-lipoxygenase-2 enzyme (15-LOX-2), the epidermal growth factor receptor (EGFR) protein, and the Mga2 fungal transcription factor. The analysis of 15-LOX-2 uses data generated exclusively from biased umbrella sampling simulations carried out at the hybrid ab initio density functional theory (DFT) quantum mechanics/molecular mechanics (QM/MM) level of theory. In all cases, our method automatically identifies the corresponding transition states and metastable conformations in a variationally optimal way, with the input of a set of relevant coordinates, by accurately reproducing the intrinsic slowest relaxation rate of each system. Our approach offers a general yet easy-to-implement analysis method that provides unique insight into the molecular mechanism and the rare but crucial (i.e., rate-limiting) transition states occurring along conformational transition paths in complex dynamical systems such as molecular trajectories.

Molecular dynamics and quasidynamics simulations of the annealing of bulk and near-surface interstitials formed in molecular-beam epitaxial Si due to low-energy particle bombardment during deposition

NASA Technical Reports Server (NTRS)

Kitabatake, M.; Fons, P.; Greene, J. E.

1991-01-01

The relaxation, diffusion, and annihilation of split and hexagonal interstitials resulting from 10 eV Si irradiation of (2x1)-terminated Si(100) are investigated. Molecular dynamics and quasidynamics simulations, utilizing the Tersoff many-body potential are used in the investigation. The interstitials are created in layers two through six, and stable atomic configurations and total potential energies are derived as a function of site symmetry and layer depth. The interstitial Si atoms are allowed to diffuse, and the total potential energy changes are calculated. Lattice configurations along each path, as well as the starting configurations, are relaxed, and minimum energy diffusion paths are derived. The results show that the minimum energy paths are toward the surface and generally involved tetrahedral sites. The calculated interstitial migration activation energies are always less than 1.4 eV and are much lower in the near-surface region than in the bulk.

Selective epidemic vaccination under the performant routing algorithms

NASA Astrophysics Data System (ADS)

Bamaarouf, O.; Alweimine, A. Ould Baba; Rachadi, A.; EZ-Zahraouy, H.

2018-04-01

Despite the extensive research on traffic dynamics and epidemic spreading, the effect of the routing algorithms strategies on the traffic-driven epidemic spreading has not received an adequate attention. It is well known that more performant routing algorithm strategies are used to overcome the congestion problem. However, our main result shows unexpectedly that these algorithms favor the virus spreading more than the case where the shortest path based algorithm is used. In this work, we studied the virus spreading in a complex network using the efficient path and the global dynamic routing algorithms as compared to shortest path strategy. Some previous studies have tried to modify the routing rules to limit the virus spreading, but at the expense of reducing the traffic transport efficiency. This work proposed a solution to overcome this drawback by using a selective vaccination procedure instead of a random vaccination used often in the literature. We found that the selective vaccination succeeded in eradicating the virus better than a pure random intervention for the performant routing algorithm strategies.

High temperature unfolding of a truncated hemoglobin by molecular dynamics simulation.

PubMed

Sharma, Ravi Datta; Kanwal, Rajnee; Lynn, Andrew M; Singh, Prerna; Pasha, Syed Tazeen; Fatma, Tasneem; Jawaid, Safdar

2013-09-01

Heme containing proteins are associated with peroxidase activity. The proteins like hemoglobin, myoglobins, cytochrome c and micro-peroxidase other than peroxidases have been shown to exhibit weak peroxidase-like activity. This weak peroxidase-like activity in hemoglobin-like molecules is due to heme moiety. We conducted molecular dynamics (MD) studies to decipher the unfolding path of Ba-Glb (a truncated hemoglobin from Bacillus anthracis) and the role of heme moiety to its unfolding path. The similar unfolding path is also observed in vitro by UV/VIS spectroscopy. The data confirmed that the unfolding of Ba-Glb follows a three state process with a meta-stable (intermediate) state between the native and unfolded conformations. The present study is supported by several unfolding parameters like root-mean-square-deviation (RMSD), dictionary of protein secondary structure (DSSP), and free energy landscape. Understanding the structure of hemoglobin like proteins in unicellular dreaded pathogens like B. anthracis will pave way for newer drug discovery targets and in the disease management of anthrax.

Proactive routing mutation against stealthy Distributed Denial of Service attacks: metrics, modeling, and analysis

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

Duan, Qi; Al-Shaer, Ehab; Chatterjee, Samrat

The Infrastructure Distributed Denial of Service (IDDoS) attacks continue to be one of the most devastating challenges facing cyber systems. The new generation of IDDoS attacks exploit the inherent weakness of cyber infrastructure including deterministic nature of routes, skew distribution of flows, and Internet ossification to discover the network critical links and launch highly stealthy flooding attacks that are not observable at the victim end. In this paper, first, we propose a new metric to quantitatively measure the potential susceptibility of any arbitrary target server or domain to stealthy IDDoS attacks, and es- timate the impact of such susceptibility onmore » enterprises. Second, we develop a proactive route mutation technique to minimize the susceptibility to these attacks by dynamically changing the flow paths periodically to invalidate the adversary knowledge about the network and avoid targeted critical links. Our proposed approach actively changes these network paths while satisfying security and qualify of service requirements. We present an integrated approach of proactive route mutation that combines both infrastructure-based mutation that is based on reconfiguration of switches and routers, and middle-box approach that uses an overlay of end-point proxies to construct a virtual network path free of critical links to reach a destination. We implemented the proactive path mutation technique on a Software Defined Network using the OpendDaylight controller to demonstrate a feasible deployment of this approach. Our evaluation validates the correctness, effectiveness, and scalability of the proposed approaches.« less

Path planning in uncertain flow fields using ensemble method

NASA Astrophysics Data System (ADS)

Wang, Tong; Le Maître, Olivier P.; Hoteit, Ibrahim; Knio, Omar M.

2016-10-01

An ensemble-based approach is developed to conduct optimal path planning in unsteady ocean currents under uncertainty. We focus our attention on two-dimensional steady and unsteady uncertain flows, and adopt a sampling methodology that is well suited to operational forecasts, where an ensemble of deterministic predictions is used to model and quantify uncertainty. In an operational setting, much about dynamics, topography, and forcing of the ocean environment is uncertain. To address this uncertainty, the flow field is parametrized using a finite number of independent canonical random variables with known densities, and the ensemble is generated by sampling these variables. For each of the resulting realizations of the uncertain current field, we predict the path that minimizes the travel time by solving a boundary value problem (BVP), based on the Pontryagin maximum principle. A family of backward-in-time trajectories starting at the end position is used to generate suitable initial values for the BVP solver. This allows us to examine and analyze the performance of the sampling strategy and to develop insight into extensions dealing with general circulation ocean models. In particular, the ensemble method enables us to perform a statistical analysis of travel times and consequently develop a path planning approach that accounts for these statistics. The proposed methodology is tested for a number of scenarios. We first validate our algorithms by reproducing simple canonical solutions, and then demonstrate our approach in more complex flow fields, including idealized, steady and unsteady double-gyre flows.

Diffractive paths for weak localization in quantum billiards

NASA Astrophysics Data System (ADS)

Březinová, Iva; Stampfer, Christoph; Wirtz, Ludger; Rotter, Stefan; Burgdörfer, Joachim

2008-04-01

We study the weak-localization effect in quantum transport through a clean ballistic cavity with regular classical dynamics. We address the question which paths account for the suppression of conductance through a system where disorder and chaos are absent. By exploiting both quantum and semiclassical methods, we unambiguously identify paths that are diffractively backscattered into the cavity (when approaching the lead mouths from the cavity interior) to play a key role. Diffractive scattering couples transmitted and reflected paths and is thus essential to reproduce the weak-localization peak in reflection and the corresponding antipeak in transmission. A comparison of semiclassical calculations featuring these diffractive paths yields good agreement with full quantum calculations and experimental data. Our theory provides system-specific predictions for the quantum regime of few open lead modes and can be expected to be relevant also for mixed as well as chaotic systems.

Variations of Solar Non-axisymmetric Activity

NASA Astrophysics Data System (ADS)

Gyenge, N.; Baranyi, T.; Ludmány, A.

The temporal behaviour of solar active longitudes has been examined by using two sunspot catalogues, the Greenwich Photoheliographic Results (GPR) and the Debrecen Photoheliographic Data (DPD). The time-longitude diagrams of the activity distribution reveal the preferred longitudinal zones and their migration with respect to the Carrington frame. The migration paths outline a set of patterns in which the activity zone has alternating prograde/retrograde angular velocities with respect to the Carrington rotation rate. The time profiles of these variations can be described by a set of successive parabolae. Two similar migration paths have been selected from these datasets, one northern path during cycles 21 - 22 and one southern path during cycles 13 - 14, for closer examination and comparison of their dynamical behaviours. The rates of sunspot emergence exhibited in both migration paths similar periodicities, close to 1.3 years. This behaviour may imply that the active longitude is connected to the bottom of convection zone.

QTAIM and Stress Tensor Characterization of Intramolecular Interactions Along Dynamics Trajectories of a Light-Driven Rotary Molecular Motor.

PubMed

Wang, Lingling; Huan, Guo; Momen, Roya; Azizi, Alireza; Xu, Tianlv; Kirk, Steven R; Filatov, Michael; Jenkins, Samantha

2017-06-29

A quantum theory of atoms in molecules (QTAIM) and stress tensor analysis was applied to analyze intramolecular interactions influencing the photoisomerization dynamics of a light-driven rotary molecular motor. For selected nonadiabatic molecular dynamics trajectories characterized by markedly different S 1 state lifetimes, the electron densities were obtained using the ensemble density functional theory method. The analysis revealed that torsional motion of the molecular motor blades from the Franck-Condon point to the S 1 energy minimum and the S 1 /S 0 conical intersection is controlled by two factors: greater numbers of intramolecular bonds before the hop-time and unusually strongly coupled bonds between the atoms of the rotor and the stator blades. This results in the effective stalling of the progress along the torsional path for an extended period of time. This finding suggests a possibility of chemical tuning of the speed of photoisomerization of molecular motors and related molecular switches by reshaping their molecular backbones to decrease or increase the degree of coupling and numbers of intramolecular bond critical points as revealed by the QTAIM/stress tensor analysis of the electron density. Additionally, the stress tensor scalar and vector analysis was found to provide new methods to follow the trajectories, and from this, new insight was gained into the behavior of the S 1 state in the vicinity of the conical intersection.

Computing the optimal path in stochastic dynamical systems

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

Bauver, Martha; Forgoston, Eric, E-mail: eric.forgoston@montclair.edu; Billings, Lora

2016-08-15

In stochastic systems, one is often interested in finding the optimal path that maximizes the probability of escape from a metastable state or of switching between metastable states. Even for simple systems, it may be impossible to find an analytic form of the optimal path, and in high-dimensional systems, this is almost always the case. In this article, we formulate a constructive methodology that is used to compute the optimal path numerically. The method utilizes finite-time Lyapunov exponents, statistical selection criteria, and a Newton-based iterative minimizing scheme. The method is applied to four examples. The first example is a two-dimensionalmore » system that describes a single population with internal noise. This model has an analytical solution for the optimal path. The numerical solution found using our computational method agrees well with the analytical result. The second example is a more complicated four-dimensional system where our numerical method must be used to find the optimal path. The third example, although a seemingly simple two-dimensional system, demonstrates the success of our method in finding the optimal path where other numerical methods are known to fail. In the fourth example, the optimal path lies in six-dimensional space and demonstrates the power of our method in computing paths in higher-dimensional spaces.« less

Transition from normal to ballistic diffusion in a one-dimensional impact system

NASA Astrophysics Data System (ADS)

Livorati, André L. P.; Kroetz, Tiago; Dettmann, Carl P.; Caldas, Iberê L.; Leonel, Edson D.

2018-03-01

We characterize a transition from normal to ballistic diffusion in a bouncing ball dynamics. The system is composed of a particle, or an ensemble of noninteracting particles, experiencing elastic collisions with a heavy and periodically moving wall under the influence of a constant gravitational field. The dynamics lead to a mixed phase space where chaotic orbits have a free path to move along the velocity axis, presenting a normal diffusion behavior. Depending on the control parameter, one can observe the presence of featured resonances, known as accelerator modes, that lead to a ballistic growth of velocity. Through statistical and numerical analysis of the velocity of the particle, we are able to characterize a transition between the two regimes, where transport properties were used to characterize the scenario of the ballistic regime. Also, in an analysis of the probability of an orbit to reach an accelerator mode as a function of the velocity, we observe a competition between the normal and ballistic transport in the midrange velocity.

Environmental research program. 1995 Annual report

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

Brown, N.J.

1996-06-01

The objective of the Environmental Research Program is to enhance the understanding of, and mitigate the effects of pollutants on health, ecological systems, global and regional climate, and air quality. The program is multidisciplinary and includes fundamental research and development in efficient and environmentally benign combustion, pollutant abatement and destruction, and novel methods of detection and analysis of criteria and noncriteria pollutants. This diverse group conducts investigations in combustion, atmospheric and marine processes, flue-gas chemistry, and ecological systems. Combustion chemistry research emphasizes modeling at microscopic and macroscopic scales. At the microscopic scale, functional sensitivity analysis is used to explore themore » nature of the potential-to-dynamics relationships for reacting systems. Rate coefficients are estimated using quantum dynamics and path integral approaches. At the macroscopic level, combustion processes are modelled using chemical mechanisms at the appropriate level of detail dictated by the requirements of predicting particular aspects of combustion behavior. Parallel computing has facilitated the efforts to use detailed chemistry in models of turbulent reacting flow to predict minor species concentrations.« less

Transition from normal to ballistic diffusion in a one-dimensional impact system.

PubMed

Livorati, André L P; Kroetz, Tiago; Dettmann, Carl P; Caldas, Iberê L; Leonel, Edson D

2018-03-01

We characterize a transition from normal to ballistic diffusion in a bouncing ball dynamics. The system is composed of a particle, or an ensemble of noninteracting particles, experiencing elastic collisions with a heavy and periodically moving wall under the influence of a constant gravitational field. The dynamics lead to a mixed phase space where chaotic orbits have a free path to move along the velocity axis, presenting a normal diffusion behavior. Depending on the control parameter, one can observe the presence of featured resonances, known as accelerator modes, that lead to a ballistic growth of velocity. Through statistical and numerical analysis of the velocity of the particle, we are able to characterize a transition between the two regimes, where transport properties were used to characterize the scenario of the ballistic regime. Also, in an analysis of the probability of an orbit to reach an accelerator mode as a function of the velocity, we observe a competition between the normal and ballistic transport in the midrange velocity.

The contribution of postural balance analysis in older adult fallers: A narrative review.

PubMed

Pizzigalli, L; Micheletti Cremasco, M; Mulasso, A; Rainoldi, A

2016-04-01

Falls are a serious health problem for older adults. Several studies have identified the decline of postural balance as one of the main risk factors for falls. Contrary to what may be believed, the capability of force platform measurements to predict falls remains uncertain. The focus of this narrative review is the identification of postural characteristics of older adults at risk of falling using both static and dynamic postural balance assessments. The literature analysis was conducted on Medline/PubMed. The search ended in May 2015. Centre of pressure (CoP) path length, CoP velocity and sway in medial lateral and anterior-posterior are the variables that distinguish older adult fallers from non-fallers. Recommendations to medical personnel on how to provide efficient balance training for older adults are offered, discussing the relevance and limitations of postural stability on static and dynamic board in falling risk prevention. Copyright © 2015 Elsevier Ltd. All rights reserved.

[A singular bullet run in a firearm wound in the neck. A case report].

PubMed

Martino, Antonio; De Rienzo, Dino; Evangelista, Marco; La Rocca, Francesco; Maharajan, Gautam; Martino, Giovanni; Sacco, Maria Lucia; Scaglione, Mariano

2009-01-01

The paper deals with the peculiarities of a firearm wound regarding the dynamic of the accident and particularly considering the path followed by the bullet. The patient's firearm wound is described on the basis of the instrumental examinations done. These last give us a precious help to confirm the thesis, already guessed on the clinical examination of an introduction and path followed through the digestive tract, and to show the dynamics and the still positions of the bullet inside the patient's body. The bullet was expelled spontaneously by defecation. After control of no internal damages this firearm wound has been treated simply as a normal tip wound.

Interactive cutting path analysis programs

NASA Technical Reports Server (NTRS)

Weiner, J. M.; Williams, D. S.; Colley, S. R.

1975-01-01

The operation of numerically controlled machine tools is interactively simulated. Four programs were developed to graphically display the cutting paths for a Monarch lathe, Cintimatic mill, Strippit sheet metal punch, and the wiring path for a Standard wire wrap machine. These programs are run on a IMLAC PDS-ID graphic display system under the DOS-3 disk operating system. The cutting path analysis programs accept input via both paper tape and disk file.

Characterization of vibration transfer paths in nose gearboxes of an AH-64 Apache

NASA Astrophysics Data System (ADS)

Islam, A. K. M. Anwarul; Dempsey, Paula J.; Feldman, Jason; Larsen, Chris

2014-03-01

Health monitoring of rotorcraft components, which is currently being performed by Health and Usage Monitoring Systems (HUMS) through analyzing vibration signatures of dynamic mechanical components, is very important for their safe and economic operation. Vibration diagnostic algorithms in HUMS analyze vibration signatures associated with faults and quantify them as condition indicators (CI) to predict component behavior. Vibration transfer paths (VTP) play important roles in CI response and are characterized by frequency response functions (FRF) derived from vibration signatures of dynamic mechanical components of a helicopter. With an objective to investigate the difference in VTP of a component in a helicopter and test stand, and to relate that to the CI response, VTP measurements were recorded from 0-50 kHz under similar conditions in the left and right nose gearboxes (NGBs) of an AH-64 Apache and an isolated left NGB in a test stand at NASA Glenn Research Center. The test fixture enabled the application of measured torques - common during an actual operation. Commercial and lab piezo shakers, and an impact hammer were used in both systems to collect the vibration response using two types of commercially available accelerometers under various test conditions. The FRFs of both systems were found to be consistent, and certain real-world installation and maintenance issues, such as sensor alignments, locations and installation torques, had minimal effect on the VTP. However, gear vibration transfer path dynamics appeared to be somewhat dependent on presence of oil, and the lightly-damped ring gear produced sharp and closer transfer path resonances.

Design of a phased array for the generation of adaptive radiation force along a path surrounding a breast lesion for dynamic ultrasound elastography imaging.

PubMed

Ekeom, Didace; Hadj Henni, Anis; Cloutier, Guy

2013-03-01

This work demonstrates, with numerical simulations, the potential of an octagonal probe for the generation of radiation forces in a set of points following a path surrounding a breast lesion in the context of dynamic ultrasound elastography imaging. Because of the in-going wave adaptive focusing strategy, the proposed method is adapted to induce shear wave fronts to interact optimally with complex lesions. Transducer elements were based on 1-3 piezocomposite material. Three-dimensional simulations combining the finite element method and boundary element method with periodic boundary conditions in the elevation direction were used to predict acoustic wave radiation in a targeted region of interest. The coupling factor of the piezocomposite material and the radiated power of the transducer were optimized. The transducer's electrical impedance was targeted to 50 Ω. The probe was simulated by assembling the designed transducer elements to build an octagonal phased-array with 256 elements on each edge (for a total of 2048 elements). The central frequency is 4.54 MHz; simulated transducer elements are able to deliver enough power and can generate the radiation force with a relatively low level of voltage excitation. Using dynamic transmitter beamforming techniques, the radiation force along a path and resulting acoustic pattern in the breast were simulated assuming a linear isotropic medium. Magnitude and orientation of the acoustic intensity (radiation force) at any point of a generation path could be controlled for the case of an example representing a heterogeneous medium with an embedded soft mechanical inclusion.

A nonlinear control scheme based on dynamic evolution path theory for improved dynamic performance of boost PFC converter working on nonlinear features.

PubMed

Mohanty, Pratap Ranjan; Panda, Anup Kumar

2016-11-01

This paper is concerned to performance improvement of boost PFC converter under large random load fluctuation, ensuring unity power factor (UPF) at source end and regulated voltage at load side. To obtain such performance, a nonlinear controller based on dynamic evolution path theory is designed and its robustness is examined under both heavy and light loading condition. In this paper, %THD and zero-cross-over dead-zone of input current is significantly reduced. Also, very less response time of input current and output voltage to that of load and reference variation is remarked. A simulation model of proposed system is designed and it is realized using dSPACE 1104 signal processor for a 390V DC , 500W prototype. The relevant experimental and simulation waveforms are presented. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Control of mechanical systems with rolling constraints: Application to dynamic control of mobile robots

NASA Technical Reports Server (NTRS)

Sarkar, Nilanjan; Yun, Xiaoping; Kumar, Vijay

1994-01-01

There are many examples of mechanical systems that require rolling contacts between two or more rigid bodies. Rolling contacts engender nonholonomic constraints in an otherwise holonomic system. In this article, we develop a unified approach to the control of mechanical systems subject to both holonomic and nonholonomic constraints. We first present a state space realization of a constrained system. We then discuss the input-output linearization and zero dynamics of the system. This approach is applied to the dynamic control of mobile robots. Two types of control algorithms for mobile robots are investigated: trajectory tracking and path following. In each case, a smooth nonlinear feedback is obtained to achieve asymptotic input-output stability and Lagrange stability of the overall system. Simulation results are presented to demonstrate the effectiveness of the control algorithms and to compare the performane of trajectory-tracking and path-following algorithms.

A Unified Model of Heading and Path Perception in Primate MSTd

PubMed Central

Layton, Oliver W.; Browning, N. Andrew

2014-01-01

Self-motion, steering, and obstacle avoidance during navigation in the real world require humans to travel along curved paths. Many perceptual models have been proposed that focus on heading, which specifies the direction of travel along straight paths, but not on path curvature, which humans accurately perceive and is critical to everyday locomotion. In primates, including humans, dorsal medial superior temporal area (MSTd) has been implicated in heading perception. However, the majority of MSTd neurons respond optimally to spiral patterns, rather than to the radial expansion patterns associated with heading. No existing theory of curved path perception explains the neural mechanisms by which humans accurately assess path and no functional role for spiral-tuned cells has yet been proposed. Here we present a computational model that demonstrates how the continuum of observed cells (radial to circular) in MSTd can simultaneously code curvature and heading across the neural population. Curvature is encoded through the spirality of the most active cell, and heading is encoded through the visuotopic location of the center of the most active cell's receptive field. Model curvature and heading errors fit those made by humans. Our model challenges the view that the function of MSTd is heading estimation, based on our analysis we claim that it is primarily concerned with trajectory estimation and the simultaneous representation of both curvature and heading. In our model, temporal dynamics afford time-history in the neural representation of optic flow, which may modulate its structure. This has far-reaching implications for the interpretation of studies that assume that optic flow is, and should be, represented as an instantaneous vector field. Our results suggest that spiral motion patterns that emerge in spatio-temporal optic flow are essential for guiding self-motion along complex trajectories, and that cells in MSTd are specifically tuned to extract complex trajectory estimation from flow. PMID:24586130

Constrained approximation of effective generators for multiscale stochastic reaction networks and application to conditioned path sampling

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

Cotter, Simon L., E-mail: simon.cotter@manchester.ac.uk

2016-10-15

Efficient analysis and simulation of multiscale stochastic systems of chemical kinetics is an ongoing area for research, and is the source of many theoretical and computational challenges. In this paper, we present a significant improvement to the constrained approach, which is a method for computing effective dynamics of slowly changing quantities in these systems, but which does not rely on the quasi-steady-state assumption (QSSA). The QSSA can cause errors in the estimation of effective dynamics for systems where the difference in timescales between the “fast” and “slow” variables is not so pronounced. This new application of the constrained approach allowsmore » us to compute the effective generator of the slow variables, without the need for expensive stochastic simulations. This is achieved by finding the null space of the generator of the constrained system. For complex systems where this is not possible, or where the constrained subsystem is itself multiscale, the constrained approach can then be applied iteratively. This results in breaking the problem down into finding the solutions to many small eigenvalue problems, which can be efficiently solved using standard methods. Since this methodology does not rely on the quasi steady-state assumption, the effective dynamics that are approximated are highly accurate, and in the case of systems with only monomolecular reactions, are exact. We will demonstrate this with some numerics, and also use the effective generators to sample paths of the slow variables which are conditioned on their endpoints, a task which would be computationally intractable for the generator of the full system.« less

Optimal Propellant Maneuver Flight Demonstrations on ISS

NASA Technical Reports Server (NTRS)

Bhatt, Sagar; Bedrossian, Nazareth; Longacre, Kenneth; Nguyen, Louis

2013-01-01

In this paper, first ever flight demonstrations of Optimal Propellant Maneuver (OPM), a method of propulsive rotational state transition for spacecraft controlled using thrusters, is presented for the International Space Station (ISS). On August 1, 2012, two ISS reorientations of about 180deg each were performed using OPMs. These maneuvers were in preparation for the same-day launch and rendezvous of a Progress vehicle, also a first for ISS visiting vehicles. The first maneuver used 9.7 kg of propellant, whereas the second used 10.2 kg. Identical maneuvers performed without using OPMs would have used approximately 151.1kg and 150.9kg respectively. The OPM method is to use a pre-planned attitude command trajectory to accomplish a rotational state transition. The trajectory is designed to take advantage of the complete nonlinear system dynamics. The trajectory choice directly influences the cost of the maneuver, in this case, propellant. For example, while an eigenaxis maneuver is kinematically the shortest path between two orientations, following that path requires overcoming the nonlinear system dynamics, thereby increasing the cost of the maneuver. The eigenaxis path is used for ISS maneuvers using thrusters. By considering a longer angular path, the path dependence of the system dynamics can be exploited to reduce the cost. The benefits of OPM for the ISS include not only reduced lifetime propellant use, but also reduced loads, erosion, and contamination from thrusters due to fewer firings. Another advantage of the OPM is that it does not require ISS flight software modifications since it is a set of commands tailored to the specific attitude control architecture. The OPM takes advantage of the existing ISS control system architecture for propulsive rotation called USTO control mode1. USTO was originally developed to provide ISS Orbiter stack attitude control capability for a contingency tile-repair scenario, where the Orbiter is maneuvered using its robotic manipulator relative to the ISS. Since 2005 USTO has been used for nominal ISS operations.

Investigation of Gearbox Vibration Transmission Paths on Gear Condition Indicator Performance

NASA Technical Reports Server (NTRS)

Dempsey, Paula J.; Islam, AKM Anwarul; Feldman, Jason; Larsen, Chris

2013-01-01

Helicopter health monitoring systems use vibration signatures generated from damaged components to identify transmission faults. For damaged gears, these signatures relate to changes in dynamics due to the meshing of the damaged tooth. These signatures, referred to as condition indicators (CI), can perform differently when measured on different systems, such as a component test rig, or a full-scale transmission test stand, or an aircraft. These differences can result from dissimilarities in systems design and environment under dynamic operating conditions. The static structure can also filter the response between the vibration source and the accelerometer, when the accelerometer is installed on the housing. To assess the utility of static vibration transfer paths for predicting gear CI performance, measurements were taken on the NASA Glenn Spiral Bevel Gear Fatigue Test Rig. The vibration measurements were taken to determine the effect of torque, accelerometer location and gearbox design on accelerometer response. Measurements were taken at the housing and compared while impacting the gear set near mesh. These impacts were made at gear mesh to simulate gear meshing dynamics. Data measured on a helicopter gearbox installed in a static fixture were also compared to the test rig. The behavior of the structure under static conditions was also compared to CI values calculated under dynamic conditions. Results indicate that static vibration transfer path measurements can provide some insight into spiral bevel gear CI performance by identifying structural characteristics unique to each system that can affect specific CI response.

Heuristic reusable dynamic programming: efficient updates of local sequence alignment.

PubMed

Hong, Changjin; Tewfik, Ahmed H

2009-01-01

Recomputation of the previously evaluated similarity results between biological sequences becomes inevitable when researchers realize errors in their sequenced data or when the researchers have to compare nearly similar sequences, e.g., in a family of proteins. We present an efficient scheme for updating local sequence alignments with an affine gap model. In principle, using the previous matching result between two amino acid sequences, we perform a forward-backward alignment to generate heuristic searching bands which are bounded by a set of suboptimal paths. Given a correctly updated sequence, we initially predict a new score of the alignment path for each contour to select the best candidates among them. Then, we run the Smith-Waterman algorithm in this confined space. Furthermore, our heuristic alignment for an updated sequence shows that it can be further accelerated by using reusable dynamic programming (rDP), our prior work. In this study, we successfully validate "relative node tolerance bound" (RNTB) in the pruned searching space. Furthermore, we improve the computational performance by quantifying the successful RNTB tolerance probability and switch to rDP on perturbation-resilient columns only. In our searching space derived by a threshold value of 90 percent of the optimal alignment score, we find that 98.3 percent of contours contain correctly updated paths. We also find that our method consumes only 25.36 percent of the runtime cost of sparse dynamic programming (sDP) method, and to only 2.55 percent of that of a normal dynamic programming with the Smith-Waterman algorithm.

Dynamic Task Assignment and Path Planning of Multi-AUV System Based on an Improved Self-Organizing Map and Velocity Synthesis Method in Three-Dimensional Underwater Workspace.

PubMed

Zhu, Daqi; Huang, Huan; Yang, S X

2013-04-01

For a 3-D underwater workspace with a variable ocean current, an integrated multiple autonomous underwater vehicle (AUV) dynamic task assignment and path planning algorithm is proposed by combing the improved self-organizing map (SOM) neural network and a novel velocity synthesis approach. The goal is to control a team of AUVs to reach all appointed target locations for only one time on the premise of workload balance and energy sufficiency while guaranteeing the least total and individual consumption in the presence of the variable ocean current. First, the SOM neuron network is developed to assign a team of AUVs to achieve multiple target locations in 3-D ocean environment. The working process involves special definition of the initial neural weights of the SOM network, the rule to select the winner, the computation of the neighborhood function, and the method to update weights. Then, the velocity synthesis approach is applied to plan the shortest path for each AUV to visit the corresponding target in a dynamic environment subject to the ocean current being variable and targets being movable. Lastly, to demonstrate the effectiveness of the proposed approach, simulation results are given in this paper.

Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

PubMed

Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

2012-11-13

The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.

Coupled Long-Term Simulation of Reach-Scale Water and Heat Fluxes Across the River-Groundwater Interface for Retrieving Hyporheic Residence Times and Temperature Dynamics

NASA Astrophysics Data System (ADS)

Munz, Matthias; Oswald, Sascha E.; Schmidt, Christian

2017-11-01

Flow patterns in conjunction with seasonal and diurnal temperature variations control ecological and biogeochemical conditions in hyporheic sediments. In particular, hyporheic temperatures have a great impact on many temperature-sensitive microbial processes. In this study, we used 3-D coupled water flow and heat transport simulations applying the HydroGeoSphere code in combination with high-resolution observations of hydraulic heads and temperatures to quantify reach-scale water and heat flux across the river-groundwater interface and hyporheic temperature dynamics of a lowland gravel bed river. The model was calibrated in order to constrain estimates of the most sensitive model parameters. The magnitude and variations of the simulated temperatures matched the observed ones, with an average mean absolute error of 0.7°C and an average Nash Sutcliffe efficiency of 0.87. Our results indicate that nonsubmerged streambed structures such as gravel bars cause substantial thermal heterogeneity within the saturated sediment at the reach scale. Individual hyporheic flow path temperatures strongly depend on the flow path residence time, flow path depth, river, and groundwater temperature. Variations in individual hyporheic flow path temperatures were up to 7.9°C, significantly higher than the daily average (2.8°C), but still lower than the average seasonal hyporheic temperature difference (19.2°C). The distribution between flow path temperatures and residence times follows a power law relationship with exponent of about 0.37. Based on this empirical relation, we further estimated the influence of hyporheic flow path residence time and temperature on oxygen consumption which was found to partly increase by up to 29% in simulations.

An Ecological Approach to Learning Dynamics

ERIC Educational Resources Information Center

Normak, Peeter; Pata, Kai; Kaipainen, Mauri

2012-01-01

New approaches to emergent learner-directed learning design can be strengthened with a theoretical framework that considers learning as a dynamic process. We propose an approach that models a learning process using a set of spatial concepts: learning space, position of a learner, niche, perspective, step, path, direction of a step and step…

Influence of the Strain History on TWIP Steel Deformation Mechanisms in the Deep-Drawing Process

NASA Astrophysics Data System (ADS)

Lapovok, R.; Timokhina, I.; Mester, A.-K.; Weiss, M.; Shekhter, A.

2018-03-01

A study of preferable deformation modes on strain path and strain level in a TWIP steel sheet was performed. Different strain paths were obtained by stretch forming of specimens with various shapes and tensile tests. TEM analysis was performed on samples cut from various locations in the deformed specimens, which had different strain paths and strain levels and the preferable deformation modes were identified. Stresses caused by various strain paths were considered and an analytical analysis performed to identify the preferable deformation modes for the case of single crystal. For a single crystal, in assumption of the absence of lattice rotation, the strain path and the level of accumulated equivalent strain define the preferable deformation mode. For a polycrystalline material, such analytical analysis is not possible due to the large number of grains and, therefore, numerical simulation was employed. For the polycrystalline material, the role of strain path diminishes due to the presence of a large number of grains with random orientations and the effect of accumulated strain becomes dominant. However, at small strains the strain path still defines the level of twinning activity. TEM analysis experimentally confirmed that various deformation modes lead to different deformation strengthening mechanisms.

Influence of the Strain History on TWIP Steel Deformation Mechanisms in the Deep-Drawing Process

NASA Astrophysics Data System (ADS)

Lapovok, R.; Timokhina, I.; Mester, A.-K.; Weiss, M.; Shekhter, A.

2018-06-01

A study of preferable deformation modes on strain path and strain level in a TWIP steel sheet was performed. Different strain paths were obtained by stretch forming of specimens with various shapes and tensile tests. TEM analysis was performed on samples cut from various locations in the deformed specimens, which had different strain paths and strain levels and the preferable deformation modes were identified. Stresses caused by various strain paths were considered and an analytical analysis performed to identify the preferable deformation modes for the case of single crystal. For a single crystal, in assumption of the absence of lattice rotation, the strain path and the level of accumulated equivalent strain define the preferable deformation mode. For a polycrystalline material, such analytical analysis is not possible due to the large number of grains and, therefore, numerical simulation was employed. For the polycrystalline material, the role of strain path diminishes due to the presence of a large number of grains with random orientations and the effect of accumulated strain becomes dominant. However, at small strains the strain path still defines the level of twinning activity. TEM analysis experimentally confirmed that various deformation modes lead to different deformation strengthening mechanisms.

Bit-systolic arithmetic arrays using dynamic differential gallium arsenide circuits

NASA Technical Reports Server (NTRS)

Beagles, Grant; Winters, Kel; Eldin, A. G.

1992-01-01

A new family of gallium arsenide circuits for fine grained bit-systolic arithmetic arrays is introduced. This scheme combines features of two recent techniques of dynamic gallium arsenide FET logic and differential dynamic single-clock CMOS logic. The resulting circuits are fast and compact, with tightly constrained series FET propagation paths, low fanout, no dc power dissipation, and depletion FET implementation without level shifting diodes.

Social network analysis using k-Path centrality method

NASA Astrophysics Data System (ADS)

Taniarza, Natya; Adiwijaya; Maharani, Warih

2018-03-01

k-Path centrality is deemed as one of the effective methods to be applied in centrality measurement in which the influential node is estimated as the node that is being passed by information path frequently. Regarding this, k-Path centrality has been employed in the analysis of this paper specifically by adapting random-algorithm approach in order to: (1) determine the influential user’s ranking in a social media Twitter; and (2) ascertain the influence of parameter α in the numeration of k-Path centrality. According to the analysis, the findings showed that the method of k-Path centrality with random-algorithm approach can be used to determine user’s ranking which influences in the dissemination of information in Twitter. Furthermore, the findings also showed that parameter α influenced the duration and the ranking results: the less the α value, the longer the duration, yet the ranking results were more stable.

Aircraft Fault Detection Using Real-Time Frequency Response Estimation

NASA Technical Reports Server (NTRS)

Grauer, Jared A.

2016-01-01

A real-time method for estimating time-varying aircraft frequency responses from input and output measurements was demonstrated. The Bat-4 subscale airplane was used with NASA Langley Research Center's AirSTAR unmanned aerial flight test facility to conduct flight tests and collect data for dynamic modeling. Orthogonal phase-optimized multisine inputs, summed with pilot stick and pedal inputs, were used to excite the responses. The aircraft was tested in its normal configuration and with emulated failures, which included a stuck left ruddervator and an increased command path latency. No prior knowledge of a dynamic model was used or available for the estimation. The longitudinal short period dynamics were investigated in this work. Time-varying frequency responses and stability margins were tracked well using a 20 second sliding window of data, as compared to a post-flight analysis using output error parameter estimation and a low-order equivalent system model. This method could be used in a real-time fault detection system, or for other applications of dynamic modeling such as real-time verification of stability margins during envelope expansion tests.

Comprehensive Forced Response Analysis of J2X Turbine Bladed-Discs with 36- Degree Variation in CFD Loading

NASA Technical Reports Server (NTRS)

Elrod, David; Christensen, Eric; Brown, Andrew

2011-01-01

At NASA/MSFC, Structural Dynamics personnel continue to perform advanced analysis for the turbomachinery in the J2X Rocket Engine, which is under consideration for the new Space Launch System. One of the most challenging analyses in the program is predicting turbine blade structural capability. Resonance was predicted by modal analysis, so comprehensive forced response analyses using high fidelity cyclic symmetric finite element models were initiated as required. Analysis methodologies up to this point have assumed the flow field could be fully described by a sector, so the loading on every blade would be identical as it travelled through it. However, in the J2X the CFD flow field varied over the 360 deg of a revolution because of the flow speeds and tortuous axial path. MSFC therefore developed a complex procedure using Nastran Dmap's and Matlab scripts to apply this circumferentially varying loading onto the cyclically symmetric structural models to produce accurate dynamic stresses for every blade on the disk. This procedure is coupled with static, spin, and thermal loading to produce high cycle fatigue safety factors resulting in much more accurate analytical assessments of the blades.

The combined study of the middle atmosphere meteorological parameters and lower ionosphere dynamics over Europe by means of remote VLF-LF measurements

NASA Astrophysics Data System (ADS)

Zetzer, J. I.; Lyakhov, A.; Yakymenko, K.

2012-12-01

The results of comprehensive analysis of long-term records of VLF-LF European transmitters by means of Mikhnevo geophysical observatory (Institute of Geospheres Dynamics), SID station A118 (France) and a number of AWESOM receivers are presented. In the previous study (A.A.Egoshin et al., Izvestiya, Physics of the Solid Earth, 2012, Vol. 48, No. 3, pp. 275-286) the results obtained under the minimum solar activity were presented that have shown the link between the lower ionosphere parameters and meteorological fields of the middle atmosphere. The current study expands the evidence to the increased solar activity level as well as the number of receivers, thus allowing more dense coverage of the Europe by the radio paths. Middle atmosphere data under study were provided by the EOS Aura Microwave Limb Sounder. These asynoptic data, in turn, were processed by the space-time spectral analysis on various pressure levels for various window lengths. The results are presented for the spatial structure of wave-like perturbations in the VLF-LF signal strength, which result from the lower ionosphere disturbances on various radio paths. Special short-windowed space-time study was evaluated for the periods of anomalous temporal behavior of the VLF-LF signals and the results of the altitude-latitude mode structures of the geopotential height, neutral temperature, water and ozone constituents are presented. It is shown that the spatial properties of the lower ionosphere can vary significantly at relatively small scale. Moreover, the altitude-latitude mode structures do not coincide in space as well as in time, thus, complicating the lower ionosphere response to the meteorological variations of the middle atmosphere. The analysis of all assembled data proves two main points. At first, it is possible to evaluate synoptic long-term monitoring of the middle atmosphere via the lower ionosphere perturbations as seen by VLF-LF receivers. At second, the theoretical models of the lower ionosphere must include the atmosphere dynamics. Otherwise, these models, which provide lower boundary conditions for the global self-consistent numerical ionosphere models, can set up wrong boundary conditions and lead to the unresolvable errors.

Shifting Surface Currents in the Northern North Atlantic Ocean

NASA Technical Reports Server (NTRS)

Hakkinen, Sirpa; Rhines, Peter B.

2007-01-01

Analysis of surface drifter tracks in the North Atlantic Ocean from the time period 1990 to 2006 provides the first evidence that the Gulf Stream waters can have direct pathways to the Nordic Seas. Prior to 2000, the drifters entering the channels leading to the Nordic Seas originated in the western and central subpolar region. Since 2001 several paths from the western subtropics have been present in the drifter tracks leading to the Rockall Trough through which the most saline North Atlantic Waters pass to the Nordic Seas. Eddy kinetic energy from altimetry shows also the increased energy along the same paths as the drifters, These near surface changes have taken effect while the altimetry shows a continual weakening of the subpolar gyre. These findings highlight the changes in the vertical structure of the northern North Atlantic Ocean, its dynamics and exchanges with the higher latitudes, and show how pathways of the thermohaline circulation can open up and maintain or increase its intensity even as the basin-wide circulation spins down.

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

Webb, Ian K.; Garimella, Sandilya V. B.; Tolmachev, Aleksey V.

A Structures for Lossless Ion Manipulations (SLIM) module that allows ion mobility separations and the switching of ions between alternative drift paths is described. The SLIM switch component has a “Tee” configuration and allows switching of ions between a linear path and a 90-degree bend. By controlling switching times, ions can be deflected to an alternative channel as a function of their mobilities. In the initial evaluation the switch is used in a static mode and shown compatible with high performance ion mobility separations at 4 torr. In the “dynamic mode” we show that mobility-selected ions can be switched intomore » the alternative channel, and that various ion species can be independently selected based on their mobilities for time-of-flight mass spectrometer (TOF MS) IMS detection and mass analysis. Ultimately, this development also provides the basis for e.g. the selection of specific mobilities for storage and accumulation, and key modules for the assembly of SLIM devices enabling much more complex sequences of ion manipulations.« less

A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations

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

Liu, Chang, E-mail: cliuaa@ust.hk; Xu, Kun, E-mail: makxu@ust.hk; Sun, Quanhua, E-mail: qsun@imech.ac.cn

Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier–Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, themore » dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the region where it is needed. The central ingredient of the UGKS is the coupled treatment of particle transport and collision in the flux evaluation across a cell interface, where a continuous flow dynamics from kinetic to hydrodynamic scales is modeled. The newly developed UGKS has the asymptotic preserving (AP) property of recovering the NS solutions in the continuum flow regime, and the full Boltzmann solution in the rarefied regime. In the mostly unexplored transition regime, the UGKS itself provides a valuable tool for the non-equilibrium flow study. The mathematical properties of the scheme, such as stability, accuracy, and the asymptotic preserving, will be analyzed in this paper as well.« less

Developments in Impeller/Seal Secondary Flow Path Modeling for Dynamic Force Coefficients and Leakage

NASA Technical Reports Server (NTRS)

Palazzolo, Alan; Bhattacharya, Avijit; Athavale, Mahesh; Venkataraman, Balaji; Ryan, Steve; Funston, Kerry

1997-01-01

This paper highlights bulk flow and CFD-based models prepared to calculate force and leakage properties for seals and shrouded impeller leakage paths. The bulk flow approach uses a Hir's based friction model and the CFD approach solves the Navier Stoke's (NS) equation with a finite whirl orbit or via analytical perturbation. The results show good agreement in most instances with available benchmarks.

Advanced Launch System Multi-Path Redundant Avionics Architecture Analysis and Characterization

NASA Technical Reports Server (NTRS)

Baker, Robert L.

1993-01-01

The objective of the Multi-Path Redundant Avionics Suite (MPRAS) program is the development of a set of avionic architectural modules which will be applicable to the family of launch vehicles required to support the Advanced Launch System (ALS). To enable ALS cost/performance requirements to be met, the MPRAS must support autonomy, maintenance, and testability capabilities which exceed those present in conventional launch vehicles. The multi-path redundant or fault tolerance characteristics of the MPRAS are necessary to offset a reduction in avionics reliability due to the increased complexity needed to support these new cost reduction and performance capabilities and to meet avionics reliability requirements which will provide cost-effective reductions in overall ALS recurring costs. A complex, real-time distributed computing system is needed to meet the ALS avionics system requirements. General Dynamics, Boeing Aerospace, and C.S. Draper Laboratory have proposed system architectures as candidates for the ALS MPRAS. The purpose of this document is to report the results of independent performance and reliability characterization and assessment analyses of each proposed candidate architecture and qualitative assessments of testability, maintainability, and fault tolerance mechanisms. These independent analyses were conducted as part of the MPRAS Part 2 program and were carried under NASA Langley Research Contract NAS1-17964, Task Assignment 28.

Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation

NASA Astrophysics Data System (ADS)

Peter, Emanuel K.

2017-12-01

In this article, we present a novel adaptive enhanced sampling molecular dynamics (MD) method for the accelerated simulation of protein folding and aggregation. We introduce a path-variable L based on the un-biased momenta p and displacements dq for the definition of the bias s applied to the system and derive 3 algorithms: general adaptive bias MD, adaptive path-sampling, and a hybrid method which combines the first 2 methodologies. Through the analysis of the correlations between the bias and the un-biased gradient in the system, we find that the hybrid methodology leads to an improved force correlation and acceleration in the sampling of the phase space. We apply our method on SPC/E water, where we find a conservation of the average water structure. We then use our method to sample dialanine and the folding of TrpCage, where we find a good agreement with simulation data reported in the literature. Finally, we apply our methodologies on the initial stages of aggregation of a hexamer of Alzheimer's amyloid β fragment 25-35 (Aβ 25-35) and find that transitions within the hexameric aggregate are dominated by entropic barriers, while we speculate that especially the conformation entropy plays a major role in the formation of the fibril as a rate limiting factor.

A study of snake-like locomotion through the analysis of a flexible robot model

PubMed Central

Cicconofri, Giancarlo; DeSimone, Antonio

2015-01-01

We examine the problem of snake-like locomotion by studying a system consisting of a planar inextensible elastic rod with adjustable spontaneous curvature, which provides an internal actuation mechanism that mimics muscular action in a snake. Using a Cosserat model, we derive the equations of motion in two special cases: one in which the rod can only move along a prescribed curve, and one in which the rod is constrained to slide longitudinally without slipping laterally, but the path is not fixed a priori (free-path case). The second setting is inspired by undulatory locomotion of snakes on flat surfaces. The presence of constraints leads in both cases to non-standard boundary conditions that allow us to close and solve the equations of motion. The kinematics and dynamics of the system can be recovered from a one-dimensional equation, without any restrictive assumption on the followed trajectory or the actuation. We derive explicit formulae highlighting the role of spontaneous curvature in providing the driving force (and the steering, in the free-path case) needed for locomotion. We also provide analytical solutions for a special class of serpentine motions, which enable us to discuss the connection between observed trajectories, internal actuation and forces exchanged with the environment. PMID:26807040

Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation.

PubMed

Peter, Emanuel K

2017-12-07

In this article, we present a novel adaptive enhanced sampling molecular dynamics (MD) method for the accelerated simulation of protein folding and aggregation. We introduce a path-variable L based on the un-biased momenta p and displacements dq for the definition of the bias s applied to the system and derive 3 algorithms: general adaptive bias MD, adaptive path-sampling, and a hybrid method which combines the first 2 methodologies. Through the analysis of the correlations between the bias and the un-biased gradient in the system, we find that the hybrid methodology leads to an improved force correlation and acceleration in the sampling of the phase space. We apply our method on SPC/E water, where we find a conservation of the average water structure. We then use our method to sample dialanine and the folding of TrpCage, where we find a good agreement with simulation data reported in the literature. Finally, we apply our methodologies on the initial stages of aggregation of a hexamer of Alzheimer's amyloid β fragment 25-35 (Aβ 25-35) and find that transitions within the hexameric aggregate are dominated by entropic barriers, while we speculate that especially the conformation entropy plays a major role in the formation of the fibril as a rate limiting factor.

Middleware Solutions for Self-organizing Multi-hop Multi-path Internet Connectivity Based on Bluetooth

NASA Astrophysics Data System (ADS)

Bellavista, Paolo; Giannelli, Carlo

The availability of heterogeneous wireless interfaces and of growing computing resources on widespread portable devices pushes for enabling innovative deployment scenarios where mobile nodes dynamically self-organize to offer Internet connectivity to their peers via dynamically established multi-hop multi-path opportunities. We claim the suitability of novel, mobility-aware, and application-layer middleware based on lightweight evaluation indicators to support the complexity of that scenario, involving heterogeneous wireless technologies over differentiated and statically unpredictable execution environments. To validate these claims, we have implemented an innovative middleware that manages the durability/throughput-aware formation and selection of different multi-hop paths simultaneously. This paper specifically focuses on how our middleware effectively exploits Bluetooth for multi-hop multi-path networking, by pointing out the crucial role of i) compliance with standard solutions to favor rapid deployment over off-the-shelf equipment and ii) the reduction of the usual overhead associated with some expensive Bluetooth operations, e.g., device inquiry. In particular, the paper shows how it is possible, on the one hand, to extend JSR-82 to portably access monitoring indicators for lightweight mobility/throughput estimations and, on the other hand, to reduce the time needed to update the set of available Bluetooth-based connectivity opportunities via approximated and lightweight forms of discovery.

Proceedings of the NATO-Advanced Study Institute on Computer Aided Analysis of Rigid and Flexible Mechanical Systems. Volume 1: Main lectures

NASA Astrophysics Data System (ADS)

Pereira, Manuel S.; Ambrosio, Jorge A. C.

1993-07-01

During the last few years, major scientific progress has been achieved in fields related to computer aided analysis of multibody systems. In view of this progress and recent developments of computer hardware and general purpose software, there is a need to access the current state of art and results from different schools of thought, with the objective of focussing trends in future research. Going back to 1983 when an important NATO-NSF-ARO Advanced Study Institute on Computer Aided Analysis and Optimization of Mechanical Systems was held at the University of Iowa, one may notice that less then 10 years ago the state of art was mainly dwelling on rigid body dynamics. The interest in the dynamic simulation of mechanical systems has steadily increased in recent years coming mainly from the aerospace and automative industries. The development of multibody system analysis formulations have been more recently motivated with the need to include several features such as: real-time simulation capabilities, highly non-linear control devices, work space path planing, active control of machine flexibilities and reliability and accuracy in the analysis results. The need for accurate and efficient analysis tools for design of large and lightweight mechanical systems has driven many research groups in the challenging problem of flexible systems with an increasing interaction with finite element methodologies. Basic approaches to mechanical systems dynamic analysis have recently been presented in several new text books. These publications demonstrate that both recursive and absolute methods still have their proponents to resolve the redundancy encountered in most mechanical systems.

Dynamic assessment of urban economy-environment-energy system using system dynamics model: A case study in Beijing.

PubMed

Wu, Desheng; Ning, Shuang

2018-07-01

Economic development, accompanying with environmental damage and energy depletion, becomes essential nowadays. There is a complicated and comprehensive interaction between economics, environment and energy. Understanding the operating mechanism of Energy-Environment-Economy model (3E) and its key factors is the inherent part in dealing with the issue. In this paper, we combine System Dynamics model and Geographic Information System to analyze the energy-environment-economy (3E) system both temporally and spatially, which explicitly explore the interaction of economics, energy, and environment and effects of the key influencing factors. Beijing is selected as a case study to verify our SD-GIS model. Alternative scenarios, e.g., current, technology, energy and environment scenarios are explored and compared. Simulation results shows that, current scenario is not sustainable; technology scenario is applicable to economic growth; environment scenario maintains a balanced path of development for long term stability. Policy-making insights are given based on our results and analysis. Copyright © 2018 Elsevier Inc. All rights reserved.

AMTD - Advanced Mirror Technology Development in Mechanical Stability

NASA Technical Reports Server (NTRS)

Knight, J. Brent

2015-01-01

Analytical tools and processes are being developed at NASA Marshal Space Flight Center in support of the Advanced Mirror Technology Development (AMTD) project. One facet of optical performance is mechanical stability with respect to structural dynamics. Pertinent parameters are: (1) the spacecraft structural design, (2) the mechanical disturbances on-board the spacecraft (sources of vibratory/transient motion such as reaction wheels), (3) the vibration isolation systems (invariably required to meet future science needs), and (4) the dynamic characteristics of the optical system itself. With stability requirements of future large aperture space telescopes being in the lower Pico meter regime, it is paramount that all sources of mechanical excitation be considered in both feasibility studies and detailed analyses. The primary objective of this paper is to lay out a path to perform feasibility studies of future large aperture space telescope projects which require extreme stability. To get to that end, a high level overview of a structural dynamic analysis process to assess an integrated spacecraft and optical system is included.

Impact analysis of two kinds of failure strategies in Beijing road transportation network

NASA Astrophysics Data System (ADS)

Zhang, Zundong; Xu, Xiaoyang; Zhang, Zhaoran; Zhou, Huijuan

The Beijing road transportation network (BRTN), as a large-scale technological network, exhibits very complex and complicate features during daily periods. And it has been widely highlighted that how statistical characteristics (i.e. average path length and global network efficiency) change while the network evolves. In this paper, by using different modeling concepts, three kinds of network models of BRTN namely the abstract network model, the static network model with road mileage as weights and the dynamic network model with travel time as weights — are constructed, respectively, according to the topological data and the real detected flow data. The degree distribution of the three kinds of network models are analyzed, which proves that the urban road infrastructure network and the dynamic network behavior like scale-free networks. By analyzing and comparing the important statistical characteristics of three models under random attacks and intentional attacks, it shows that the urban road infrastructure network and the dynamic network of BRTN are both robust and vulnerable.

OSI Network-layer Abstraction: Analysis of Simulation Dynamics and Performance Indicators

NASA Astrophysics Data System (ADS)

Lawniczak, Anna T.; Gerisch, Alf; Di Stefano, Bruno

2005-06-01

The Open Systems Interconnection (OSI) reference model provides a conceptual framework for communication among computers in a data communication network. The Network Layer of this model is responsible for the routing and forwarding of packets of data. We investigate the OSI Network Layer and develop an abstraction suitable for the study of various network performance indicators, e.g. throughput, average packet delay, average packet speed, average packet path-length, etc. We investigate how the network dynamics and the network performance indicators are affected by various routing algorithms and by the addition of randomly generated links into a regular network connection topology of fixed size. We observe that the network dynamics is not simply the sum of effects resulting from adding individual links to the connection topology but rather is governed nonlinearly by the complex interactions caused by the existence of all randomly added and already existing links in the network. Data for our study was gathered using Netzwerk-1, a C++ simulation tool that we developed for our abstraction.

Computational Approaches to Simulation and Analysis of Large Conformational Transitions in Proteins

NASA Astrophysics Data System (ADS)

Seyler, Sean L.

In a typical living cell, millions to billions of proteins--nanomachines that fluctuate and cycle among many conformational states--convert available free energy into mechanochemical work. A fundamental goal of biophysics is to ascertain how 3D protein structures encode specific functions, such as catalyzing chemical reactions or transporting nutrients into a cell. Protein dynamics span femtosecond timescales (i.e., covalent bond oscillations) to large conformational transition timescales in, and beyond, the millisecond regime (e.g., glucose transport across a phospholipid bilayer). Actual transition events are fast but rare, occurring orders of magnitude faster than typical metastable equilibrium waiting times. Equilibrium molecular dynamics (EqMD) can capture atomistic detail and solute-solvent interactions, but even microseconds of sampling attainable nowadays still falls orders of magnitude short of transition timescales, especially for large systems, rendering observations of such "rare events" difficult or effectively impossible. Advanced path-sampling methods exploit reduced physical models or biasing to produce plausible transitions while balancing accuracy and efficiency, but quantifying their accuracy relative to other numerical and experimental data has been challenging. Indeed, new horizons in elucidating protein function necessitate that present methodologies be revised to more seamlessly and quantitatively integrate a spectrum of methods, both numerical and experimental. In this dissertation, experimental and computational methods are put into perspective using the enzyme adenylate kinase (AdK) as an illustrative example. We introduce Path Similarity Analysis (PSA)--an integrative computational framework developed to quantify transition path similarity. PSA not only reliably distinguished AdK transitions by the originating method, but also traced pathway differences between two methods back to charge-charge interactions (neglected by the stereochemical model, but not the all-atom force field) in several conserved salt bridges. Cryo-electron microscopy maps of the transporter Bor1p are directly incorporated into EqMD simulations using MD flexible fitting to produce viable structural models and infer a plausible transport mechanism. Conforming to the theme of integration, a short compendium of an exploratory project--developing a hybrid atomistic-continuum method--is presented, including initial results and a novel fluctuating hydrodynamics model and corresponding numerical code.

Tracer-aided modelling to explore non-linearities in flow paths, hydrological connectivity and faecal contamination risk

NASA Astrophysics Data System (ADS)

Neill, A. J.; Tetzlaff, D.; Strachan, N.; Soulsby, C.

2016-12-01

The non-linearities of runoff generation processes are strongly influenced by the connectivity of hillslopes and channel networks, particularly where overland flow is an important runoff mechanism. Despite major advances in understanding hydrological connectivity and runoff generation, the role of connectivity in the contamination of potable water supplies by faecal pathogens from grazing animals remains unclear. This is a water quality issue with serious implications for public health. Here, we sought to understand the dynamics of hydrological connectivity, flow paths and linked faecal pathogen transport in a montane catchment in Scotland with high deer populations. We firstly calibrated, within an uncertainty framework, a parsimonious tracer-aided hydrological model to daily discharge and stream isotope data. The model, developed on the basis of past empirical and tracer studies, conceptualises the catchment as three interacting hydrological source areas (dynamic saturation zone, dynamic hillslope, and groundwater) for which water fluxes, water ages and storage-based connectivity can be simulated. We next coupled several faecal indicator organism (FIO; a common indicator of faecal pathogen contamination) behaviour and transport schemes to the robust hydrological models. A further calibration was then undertaken based on the ability of each coupled model to simulate daily FIO concentrations. This gave us a final set of coupled behavioural models from which we explored how in-stream FIO dynamics could be related to the changing connectivity between the three hydrological source areas, flow paths, water ages and consequent dominant runoff generation processes. We found that high levels of FIOs were transient and episodic, and strongly correlated with periods of high connectivity through overland flow. This non-linearity in connectivity and FIO flux was successfully captured within our dynamic, tracer-aided hydrological model.

Synchronized diffusive-wave spectroscopy: Principle and application to sound propagation in aqueous foams.

PubMed

Crassous, Jérôme; Chasle, Patrick; Pierre, Juliette; Saint-Jalmes, Arnaud; Dollet, Benjamin

2016-03-01

We present an experimental method to measure oscillatory strains in turbid material. The material is illuminated with a laser, and the speckle patterns are recorded. The analysis of the deformations of the optical path length shows that the speckle patterns are modulated at the strain frequency. By recording those patterns synchronously with the strain source, we are able to measure the amplitude and the phase of the strain. This method is tested in the specific case of an aqueous foam where an acoustic wave propagates. The effects of material internal dynamics and heterogeneous deformations are also discussed.

Synchronized diffusive-wave spectroscopy: Principle and application to sound propagation in aqueous foams

NASA Astrophysics Data System (ADS)

Crassous, Jérôme; Chasle, Patrick; Pierre, Juliette; Saint-Jalmes, Arnaud; Dollet, Benjamin

2016-03-01

We present an experimental method to measure oscillatory strains in turbid material. The material is illuminated with a laser, and the speckle patterns are recorded. The analysis of the deformations of the optical path length shows that the speckle patterns are modulated at the strain frequency. By recording those patterns synchronously with the strain source, we are able to measure the amplitude and the phase of the strain. This method is tested in the specific case of an aqueous foam where an acoustic wave propagates. The effects of material internal dynamics and heterogeneous deformations are also discussed.

Analysis and design of a capsule landing system and surface vehicle control system for Mars exploration

NASA Technical Reports Server (NTRS)

Gisser, D. G.; Frederick, D. K.; Lashmet, P. K.; Sandor, G. N.; Shen, C. N.; Yerazunis, S. Y.

1975-01-01

Problems related to an unmanned exploration of the planet Mars by means of an autonomous roving planetary vehicle are investigated. These problems include: design, construction and evaluation of the vehicle itself and its control and operating systems. More specifically, vehicle configuration, dynamics, control, propulsion, hazard detection systems, terrain sensing and modelling, obstacle detection concepts, path selection, decision-making systems, and chemical analyses of samples are studied. Emphasis is placed on development of a vehicle capable of gathering specimens and data for an Augmented Viking Mission or to provide the basis for a Sample Return Mission.

Polar Expansion Dynamics in the Plant Kingdom: A Diverse and Multifunctional Journey on the Path to Pollen Tubes

PubMed Central

Domozych, David S.; Fujimoto, Chelsea; LaRue, Therese

2013-01-01

Polar expansion is a widespread phenomenon in plants spanning all taxonomic groups from the Charophycean Green Algae to pollen tubes in Angiosperms and Gymnosperms. Current data strongly suggests that many common features are shared amongst cells displaying polar growth mechanics including changes to the structural features of localized regions of the cell wall, mobilization of targeted secretion mechanisms, employment of the actin cytoskeleton for directing secretion and in many cases, endocytosis and coordinated interaction of multiple signal transduction mechanisms prompted by external biotic and abiotic cues. The products of polar expansion perform diverse functions including delivery of male gametes to the egg, absorption, anchorage, adhesion and photo-absorption efficacy. A comparative analysis of polar expansion dynamics is provided with special emphasis on those found in early divergent plants. PMID:27137370

All-Optical Wavelength-Path Service With Quality Assurance by Multilayer Integration System

NASA Astrophysics Data System (ADS)

Yagi, Mikio; Tanaka, Shinya; Satomi, Shuichi; Ryu, Shiro; Asano, Shoichiro

2006-09-01

In the future all-optical network controlled by generalized multiprotocol label switching (GMPLS), the wavelength path between end nodes will change dynamically. This inevitably means that the fiber parameters along the wavelength path will also vary. This variation in fiber parameters influences the signal quality of high-speed-transmission system (bit rates over 40 Gb/s). Therefore, at a path setup, the fiber-parameter effect should be adequately compensated. Moreover, the path setup must be completed fast enough to meet the network-application demands. To realize the rapid setup of adequate paths, a multilayer integration system for all-optical wavelength-path quality assurance is proposed. This multilayer integration system is evaluated in a field trial. In the trial, the GMPLS control plane, measurement plane, and data plane coordinated to maintain the quality of a 40-Gb/s wavelength path that would otherwise be degraded by the influence of chromatic dispersion. It is also demonstrated that the multilayer integration system can assure the signal quality in the face of not only chromatic dispersion but also degradation in the optical signal-to-noise ratio by the use of a 2R regeneration system. Our experiments confirm that the proposed multilayer integration system is an essential part of future all-optical networks.

Comparison Of Reaction Barriers In Energy And Free Energy For Enzyme Catalysis

NASA Astrophysics Data System (ADS)

Andrés Cisneros, G.; Yang, Weitao

Reaction paths on potential energy surfaces obtained from QM/MM calculations of enzymatic or solution reactions depend on the starting structure employed for the path calculations. The free energies associated with these paths should be more reliable for studying reaction mechanisms, because statistical averages are used. To investigate this, the role of enzyme environment fluctuations on reaction paths has been studied with an ab initio QM/MM method for the first step of the reaction catalyzed by 4-oxalocrotonate tautomerase (4OT). Four minimum energy paths (MEPs) are compared, which have been determined with two different methods. The first path (path A) has been determined with a procedure that combines the nudged elastic band (NEB) method and a second order parallel path optimizer recently developed in our group. The second path (path B) has also been determined by the combined procedure, however, the enzyme environment has been relaxed by molecular dynamics (MD) simulations. The third path (path C) has been determined with the coordinate driving (CD) method, using the enzyme environment from path B. We compare these three paths to a previously determined path (path D) determined with the CD method. In all four cases the QM/MM-FE method (Y. Zhang et al., JCP, 112, 3483) was employed to obtain the free energy barriers for all four paths. In the case of the combined procedure, the reaction path is approximated by a small number of images which are optimized to the MEP in parallel, which results in a reduced computational cost. However, this does not allow the FEP calculation on the MEP. In order to perform FEP calculations on these paths, we introduce a modification to the NEB method that enables the addition of as many extra images to the path as needed for the FEP calculations. The calculated potential energy barriers show differences in the activation barrier between the calculated paths of as much as 5.17 kcal/mol. However, the largest free energy barrier difference is 1.58 kcal/mol. These results show the importance of the inclusion of the environment fluctuation in the calculation of enzymatic activation barriers

Dynamic Response and Failure Mechanism of Brittle Rocks Under Combined Compression-Shear Loading Experiments

NASA Astrophysics Data System (ADS)

Xu, Yuan; Dai, Feng

2018-03-01

A novel method is developed for characterizing the mechanical response and failure mechanism of brittle rocks under dynamic compression-shear loading: an inclined cylinder specimen using a modified split Hopkinson pressure bar (SHPB) system. With the specimen axis inclining to the loading direction of SHPB, a shear component can be introduced into the specimen. Both static and dynamic experiments are conducted on sandstone specimens. Given carefully pulse shaping, the dynamic equilibrium of the inclined specimens can be satisfied, and thus the quasi-static data reduction is employed. The normal and shear stress-strain relationships of specimens are subsequently established. The progressive failure process of the specimen illustrated via high-speed photographs manifests a mixed failure mode accommodating both the shear-dominated failure and the localized tensile damage. The elastic and shear moduli exhibit certain loading-path dependence under quasi-static loading but loading-path insensitivity under high loading rates. Loading rate dependence is evidently demonstrated through the failure characteristics involving fragmentation, compression and shear strength and failure surfaces based on Drucker-Prager criterion. Our proposed method is convenient and reliable to study the dynamic response and failure mechanism of rocks under combined compression-shear loading.

An efficient routing strategy for traffic dynamics on two-layer complex networks

NASA Astrophysics Data System (ADS)

Ma, Jinlong; Wang, Huiling; Zhang, Zhuxi; Zhang, Yi; Duan, Congwen; Qi, Zhaohui; Liu, Yu

2018-05-01

In order to alleviate traffic congestion on multilayer networks, designing an efficient routing strategy is one of the most important ways. In this paper, a novel routing strategy is proposed to reduce traffic congestion on two-layer networks. In the proposed strategy, the optimal paths in the physical layer are chosen by comprehensively considering the roles of nodes’ degrees of the two layers. Both numerical and analytical results indicate that our routing strategy can reasonably redistribute the traffic load of the physical layer, and thus the traffic capacity of two-layer complex networks are significantly enhanced compared with the shortest path routing (SPR) and the global awareness routing (GAR) strategies. This study may shed some light on the optimization of networked traffic dynamics.

Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H 2O) 4 cluster with path-integral molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sugawara, Shuichi; Yoshikawa, Takehiro; Takayanagi, Toshiyuki; Tachikawa, Masanori

2011-01-01

The structural rearrangement process for the HCl(H2O)4 cluster has been studied by path-integral molecular dynamics simulations, where 'on-the-fly' calculation of the potential energy surface is done with the PM3-MAIS semiempirical level. The mechanisms of the rearrangement were analyzed using appropriate collective coordinates as well as detailed potential energy diagrams derived from low-lying stationary points. It was found that the vibrational entropy mainly determines the stability of the cluster structure especially at high temperatures. We have also found that the acidity of HCl in the cluster correlates with the coordination number of chlorine with respect water molecules.

Memory-efficient dynamic programming backtrace and pairwise local sequence alignment.

PubMed

Newberg, Lee A

2008-08-15

A backtrace through a dynamic programming algorithm's intermediate results in search of an optimal path, or to sample paths according to an implied probability distribution, or as the second stage of a forward-backward algorithm, is a task of fundamental importance in computational biology. When there is insufficient space to store all intermediate results in high-speed memory (e.g. cache) existing approaches store selected stages of the computation, and recompute missing values from these checkpoints on an as-needed basis. Here we present an optimal checkpointing strategy, and demonstrate its utility with pairwise local sequence alignment of sequences of length 10,000. Sample C++-code for optimal backtrace is available in the Supplementary Materials. Supplementary data is available at Bioinformatics online.

Path integrals and large deviations in stochastic hybrid systems.

PubMed

Bressloff, Paul C; Newby, Jay M

2014-04-01

We construct a path-integral representation of solutions to a stochastic hybrid system, consisting of one or more continuous variables evolving according to a piecewise-deterministic dynamics. The differential equations for the continuous variables are coupled to a set of discrete variables that satisfy a continuous-time Markov process, which means that the differential equations are only valid between jumps in the discrete variables. Examples of stochastic hybrid systems arise in biophysical models of stochastic ion channels, motor-driven intracellular transport, gene networks, and stochastic neural networks. We use the path-integral representation to derive a large deviation action principle for a stochastic hybrid system. Minimizing the associated action functional with respect to the set of all trajectories emanating from a metastable state (assuming that such a minimization scheme exists) then determines the most probable paths of escape. Moreover, evaluating the action functional along a most probable path generates the so-called quasipotential used in the calculation of mean first passage times. We illustrate the theory by considering the optimal paths of escape from a metastable state in a bistable neural network.

Coherent light depolarization by multiple scattering media and tissues: some fundamentals and applications

NASA Astrophysics Data System (ADS)

Zimnyakov, Dmitry A.; Tuchin, Valery V.; Yodh, Arjun G.; Mishin, Alexey A.; Peretochkin, Igor S.

1998-04-01

Relationships between decorrelation and depolarization of coherent light scattered by disordered media are examined by using the conception of the photon paths distribution functions. Analysis of behavior of the autocorrelation functions of the scattered field fluctuations and their polarization properties allows us to introduce generalized parameter of scattering media such as specific correlation time. Determination of specific correlation time has been carried out for phantom scattering media (water suspensions of polystyrene spheres). Results of statistical, correlation and polarization analysis of static and dynamic speckle patterns carried out in the experiments with human sclera with artificially controlled optical transmittance are presented. Some possibilities of applications of such polarization- correlation technique for monitoring and visualization of non- single scattering tissue structures are discussed.

Monitoring spacecraft atmosphere contaminants by laser absorption spectroscopy

NASA Technical Reports Server (NTRS)

Steinfeld, J. I.

1976-01-01

Laser-based spectrophotometric methods which have been proposed for the detection of trace concentrations of gaseous contaminants include Raman backscattering (LIDAR) and passive radiometry (LOPAIR). Remote sensing techniques using laser spectrometry are presented and in particular a simple long-path laser absorption method (LOLA), which is capable of resolving complex mixtures of closely related trace contaminants at ppm levels is discussed. A number of species were selected for study which are representative of those most likely to accumulate in closed environments, such as submarines or long-duration manned space flights. Computer programs were developed which will permit a real-time analysis of the monitored atmosphere. Estimates of the dynamic range of this monitoring technique for various system configurations, and comparison with other methods of analysis, are given.

Joint Use of ERT, Tracer, and Numerical Techniques to Image Preferential Flow Paths in a Fractured Granite Aquifer

NASA Astrophysics Data System (ADS)

Sanaga, S.; Vijay, S.; Kbvn, P.; Peddinti, S. R.; P S L, S.

2017-12-01

Fractured geologic media poses formidable challenges to hydrogeologists due of the strenuous mapping of fracture-matrix system and quantification of flow and transport processes. In this research, we demonstrated the efficacy of tracer-ERT studies coupled with numerical simulations to delineate preferential flow paths in a fractured granite aquifer of Deccan traps in India. A series of natural gradient saline tracer experiments were conducted from a depth window of 18 to 22 m in an injection well located inside the IIT Hyderabad campus. Tracer migration was monitored in a time-lapse mode using two cross-sectional surface ERT profiles placed in the direction of flow gradient. Dynamic changes in sub-surface electrical properties inferred via resistivity anomalies were used to highlight preferential flow paths of the study area. ERT-derived tracer breakthrough curves were in agreement with geochemical sample measurements (R2=0.74). Fracture geometry and hydraulic properties derived from ERT and pumping tests were then used to evaluate two mathematical conceptualizations that are relevant to fractured aquifers. Results of numerical analysis conclude that a dual continuum model that combines matrix and fracture systems through a flow exchange term has outperformed equivalent continuum model in reproducing tracer concentrations at the monitoring wells (evident by decrease in RMSE from 199 mg/l to 65 mg/l). A sensitivity analysis of the model parameters reveals that spatial variability in hydraulic conductivity, local-scale dispersion, and flow exchange at fracture-matrix interface have a profound effect on model simulations. Keywords: saline tracer, ERT, fractured granite, groundwater, preferential flow, numerical simulation

Adaptive Tracking Control for Robots With an Interneural Computing Scheme.

PubMed

Tsai, Feng-Sheng; Hsu, Sheng-Yi; Shih, Mau-Hsiang

2018-04-01

Adaptive tracking control of mobile robots requires the ability to follow a trajectory generated by a moving target. The conventional analysis of adaptive tracking uses energy minimization to study the convergence and robustness of the tracking error when the mobile robot follows a desired trajectory. However, in the case that the moving target generates trajectories with uncertainties, a common Lyapunov-like function for energy minimization may be extremely difficult to determine. Here, to solve the adaptive tracking problem with uncertainties, we wish to implement an interneural computing scheme in the design of a mobile robot for behavior-based navigation. The behavior-based navigation adopts an adaptive plan of behavior patterns learning from the uncertainties of the environment. The characteristic feature of the interneural computing scheme is the use of neural path pruning with rewards and punishment interacting with the environment. On this basis, the mobile robot can be exploited to change its coupling weights in paths of neural connections systematically, which can then inhibit or enhance the effect of flow elimination in the dynamics of the evolutionary neural network. Such dynamical flow translation ultimately leads to robust sensory-to-motor transformations adapting to the uncertainties of the environment. A simulation result shows that the mobile robot with the interneural computing scheme can perform fault-tolerant behavior of tracking by maintaining suitable behavior patterns at high frequency levels.

Sodium Binding Sites and Permeation Mechanism in the NaChBac Channel: A Molecular Dynamics Study.

PubMed

Guardiani, Carlo; Rodger, P Mark; Fedorenko, Olena A; Roberts, Stephen K; Khovanov, Igor A

2017-03-14

NaChBac was the first discovered bacterial sodium voltage-dependent channel, yet computational studies are still limited due to the lack of a crystal structure. In this work, a pore-only construct built using the NavMs template was investigated using unbiased molecular dynamics and metadynamics. The potential of mean force (PMF) from the unbiased run features four minima, three of which correspond to sites IN, CEN, and HFS discovered in NavAb. During the run, the selectivity filter (SF) is spontaneously occupied by two ions, and frequent access of a third one is often observed. In the innermost sites IN and CEN, Na + is fully hydrated by six water molecules and occupies an on-axis position. In site HFS sodium interacts with a glutamate and a serine from the same subunit and is forced to adopt an off-axis placement. Metadynamics simulations biasing one and two ions show an energy barrier in the SF that prevents single-ion permeation. An analysis of the permeation mechanism was performed both computing minimum energy paths in the axial-axial PMF and through a combination of Markov state modeling and transition path theory. Both approaches reveal a knock-on mechanism involving at least two but possibly three ions. The currents predicted from the unbiased simulation using linear response theory are in excellent agreement with single-channel patch-clamp recordings.

A stochastic differential equation analysis of cerebrospinal fluid dynamics.

PubMed

Raman, Kalyan

2011-01-18

Clinical measurements of intracranial pressure (ICP) over time show fluctuations around the deterministic time path predicted by a classic mathematical model in hydrocephalus research. Thus an important issue in mathematical research on hydrocephalus remains unaddressed--modeling the effect of noise on CSF dynamics. Our objective is to mathematically model the noise in the data. The classic model relating the temporal evolution of ICP in pressure-volume studies to infusions is a nonlinear differential equation based on natural physical analogies between CSF dynamics and an electrical circuit. Brownian motion was incorporated into the differential equation describing CSF dynamics to obtain a nonlinear stochastic differential equation (SDE) that accommodates the fluctuations in ICP. The SDE is explicitly solved and the dynamic probabilities of exceeding critical levels of ICP under different clinical conditions are computed. A key finding is that the probabilities display strong threshold effects with respect to noise. Above the noise threshold, the probabilities are significantly influenced by the resistance to CSF outflow and the intensity of the noise. Fluctuations in the CSF formation rate increase fluctuations in the ICP and they should be minimized to lower the patient's risk. The nonlinear SDE provides a scientific methodology for dynamic risk management of patients. The dynamic output of the SDE matches the noisy ICP data generated by the actual intracranial dynamics of patients better than the classic model used in prior research.

MapMaker and PathTracer for tracking carbon in genome-scale metabolic models

PubMed Central

Tervo, Christopher J.; Reed, Jennifer L.

2016-01-01

Constraint-based reconstruction and analysis (COBRA) modeling results can be difficult to interpret given the large numbers of reactions in genome-scale models. While paths in metabolic networks can be found, existing methods are not easily combined with constraint-based approaches. To address this limitation, two tools (MapMaker and PathTracer) were developed to find paths (including cycles) between metabolites, where each step transfers carbon from reactant to product. MapMaker predicts carbon transfer maps (CTMs) between metabolites using only information on molecular formulae and reaction stoichiometry, effectively determining which reactants and products share carbon atoms. MapMaker correctly assigned CTMs for over 97% of the 2,251 reactions in an Escherichia coli metabolic model (iJO1366). Using CTMs as inputs, PathTracer finds paths between two metabolites. PathTracer was applied to iJO1366 to investigate the importance of using CTMs and COBRA constraints when enumerating paths, to find active and high flux paths in flux balance analysis (FBA) solutions, to identify paths for putrescine utilization, and to elucidate a potential CO2 fixation pathway in E. coli. These results illustrate how MapMaker and PathTracer can be used in combination with constraint-based models to identify feasible, active, and high flux paths between metabolites. PMID:26771089

Full analogue electronic realisation of the Hodgkin-Huxley neuronal dynamics in weak-inversion CMOS.

PubMed

Lazaridis, E; Drakakis, E M; Barahona, M

2007-01-01

This paper presents a non-linear analog synthesis path towards the modeling and full implementation of the Hodgkin-Huxley neuronal dynamics in silicon. The proposed circuits have been realized in weak-inversion CMOS technology and take advantage of both log-domain and translinear transistor-level techniques.

Genius or Dynamic Learner? Benjamin Franklin's Path to Greatness

ERIC Educational Resources Information Center

Marcum, James W.

2008-01-01

While the remarkable accomplishments of Benjamin Franklin are unparalleled, the means of their attainment can be considered more accessible to ordinary people and not necessarily attributable to a special genius. The steady development of Franklin's knowledge and skills is traced in light of a new model of "dynamic learning," which is a method…

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.

Dynamic Modeling and Soil Mechanics for Path Planning of the Mars Exploration Rovers

NASA Technical Reports Server (NTRS)

Trease, Brian; Arvidson, Raymond; Lindemann, Randel; Bennett, Keith; Zhou, Feng; Iagnemma, Karl; Senatore, Carmine; Van Dyke, Lauren

2011-01-01

To help minimize risk of high sinkage and slippage during drives and to better understand soil properties and rover terramechanics from drive data, a multidisciplinary team was formed under the Mars Exploration Rover (MER) project to develop and utilize dynamic computer-based models for rover drives over realistic terrains. The resulting tool, named ARTEMIS (Adams-based Rover Terramechanics and Mobility Interaction Simulator), consists of the dynamic model, a library of terramechanics subroutines, and the high-resolution digital elevation maps of the Mars surface. A 200-element model of the rovers was developed and validated for drop tests before launch, using MSC-Adams dynamic modeling software. Newly modeled terrain-rover interactions include the rut-formation effect of deformable soils, using the classical Bekker-Wong implementation of compaction resistances and bull-dozing effects. The paper presents the details and implementation of the model with two case studies based on actual MER telemetry data. In its final form, ARTEMIS will be used in a predictive manner to assess terrain navigability and will become part of the overall effort in path planning and navigation for both Martian and lunar rovers.

Disentangling the stochastic behavior of complex time series

NASA Astrophysics Data System (ADS)

Anvari, Mehrnaz; Tabar, M. Reza Rahimi; Peinke, Joachim; Lehnertz, Klaus

2016-10-01

Complex systems involving a large number of degrees of freedom, generally exhibit non-stationary dynamics, which can result in either continuous or discontinuous sample paths of the corresponding time series. The latter sample paths may be caused by discontinuous events - or jumps - with some distributed amplitudes, and disentangling effects caused by such jumps from effects caused by normal diffusion processes is a main problem for a detailed understanding of stochastic dynamics of complex systems. Here we introduce a non-parametric method to address this general problem. By means of a stochastic dynamical jump-diffusion modelling, we separate deterministic drift terms from different stochastic behaviors, namely diffusive and jumpy ones, and show that all of the unknown functions and coefficients of this modelling can be derived directly from measured time series. We demonstrate appli- cability of our method to empirical observations by a data-driven inference of the deterministic drift term and of the diffusive and jumpy behavior in brain dynamics from ten epilepsy patients. Particularly these different stochastic behaviors provide extra information that can be regarded valuable for diagnostic purposes.

General Path-Integral Successive-Collision Solution of the Bounded Dynamic Multi-Swarm Problem.

DTIC Science & Technology

1983-09-23

coefficients (i.e., moments of the distribution functions), and/or (il) fnding the distribution functions themselves. The present work is concerned with the...collisions since their first appearance in the system. By definition, a swarm particle sufers a *generalized collision" either when it collides with a...studies6-rand the present work have contributed to- wards making the path-integral successive-collision method a practicable tool of transport theory

Robot Path Planning in Uncertain Environments: A Language Measure-theoretic Approach

DTIC Science & Technology

2014-01-01

Paper DS-14-1028 to appear in the Special Issue on Stochastic Models, Control and Algorithms in Robotics, ASME Journal of Dynamic Systems...Measurement and Control Robot Path Planning in Uncertain Environments: A Language Measure-theoretic Approach⋆ Devesh K. Jha† Yue Li† Thomas A. Wettergren‡† Asok...algorithm, called ν⋆, that was formulated in the framework of probabilistic finite state automata (PFSA) and language measure from a control -theoretic

Mixed quantum-classical studies of energy partitioning in unimolecular chemical reactions

NASA Astrophysics Data System (ADS)

Bladow, Landon Lowell

A mixed quantum-classical reaction path Hamiltonian method is utilized to study the dynamics of unimolecular reactions. The method treats motion along the reaction path classically and treats the transverse vibrations quantum mechanically. The theory leads to equations that predict the disposai of the exit-channel potential energy to product translation and vibration. In addition, vibrational state distributions are obtained for the product normal modes. Vibrational excitation results from the curvature of the minimum energy reaction path. The method is applied to six unimolecular reactions: HF elimination from fluoroethane, 1,1-difluoroethane, 1,1-difluoroethene, and trifluoromethane; and HCl elimination from chloroethane and acetyl chloride. The minimum energy paths were calculated at either the MP2 or B3LYP level of theory. In all cases, the majority of the vibrational excitation of the products occurs in the HX fragment. The results are compared to experimental data and other theoretical results, where available. The best agreement between the experimental and calculated HX vibrational distributions is found for the halogenated ethanes, and the experimental deduction that the majority of the HX vibrational excitation arises from the potential energy release is supported. It is believed that the excess energy provided in experiments contributes to the poorer agreement between experiment and theory observed for HF elimination from 1,1-difluoroethene and trifluoromethane. An attempt is described to incorporate a treatment of the excess energy into the present method. However, the sign of the curvature coupling elements is then found to affect the dynamics. Overall, the method appears to be an efficient dynamical tool for modeling the disposal of the exit-channel potential energy in unimolecular reactions.

Multiple-path model of spectral reflectance of a dyed fabric.

PubMed

Rogers, Geoffrey; Dalloz, Nicolas; Fournel, Thierry; Hebert, Mathieu

2017-05-01

Experimental results are presented of the spectral reflectance of a dyed fabric as analyzed by a multiple-path model of reflection. The multiple-path model provides simple analytic expressions for reflection and transmission of turbid media by applying the Beer-Lambert law to each path through the medium and summing over all paths, each path weighted by its probability. The path-length probability is determined by a random-walk analysis. The experimental results presented here show excellent agreement with predictions made by the model.

Automated Root Tracking with "Root System Analyzer"

NASA Astrophysics Data System (ADS)

Schnepf, Andrea; Jin, Meina; Ockert, Charlotte; Bol, Roland; Leitner, Daniel

2015-04-01

Crucial factors for plant development are water and nutrient availability in soils. Thus, root architecture is a main aspect of plant productivity and needs to be accurately considered when describing root processes. Images of root architecture contain a huge amount of information, and image analysis helps to recover parameters describing certain root architectural and morphological traits. The majority of imaging systems for root systems are designed for two-dimensional images, such as RootReader2, GiA Roots, SmartRoot, EZ-Rhizo, and Growscreen, but most of them are semi-automated and involve mouse-clicks in each root by the user. "Root System Analyzer" is a new, fully automated approach for recovering root architectural parameters from two-dimensional images of root systems. Individual roots can still be corrected manually in a user interface if required. The algorithm starts with a sequence of segmented two-dimensional images showing the dynamic development of a root system. For each image, morphological operators are used for skeletonization. Based on this, a graph representation of the root system is created. A dynamic root architecture model helps to determine which edges of the graph belong to an individual root. The algorithm elongates each root at the root tip and simulates growth confined within the already existing graph representation. The increment of root elongation is calculated assuming constant growth. For each root, the algorithm finds all possible paths and elongates the root in the direction of the optimal path. In this way, each edge of the graph is assigned to one or more coherent roots. Image sequences of root systems are handled in such a way that the previous image is used as a starting point for the current image. The algorithm is implemented in a set of Matlab m-files. Output of Root System Analyzer is a data structure that includes for each root an identification number, the branching order, the time of emergence, the parent identification number, the distance between branching point to the parent root base, the root length, the root radius and the nodes that belong to each individual root path. This information is relevant for the analysis of dynamic root system development as well as the parameterisation of root architecture models. Here, we show results of Root System Analyzer applied to analyse the root systems of wheat plants grown in rhizotrons. Different treatments with respect to soil moisture and apatite concentrations were used to test the effects of those conditions on root system development. Photographs of the root systems were taken at high spatial and temporal resolution and root systems are automatically tracked.

A taxonomy of integral reaction path analysis

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

Grcar, Joseph F.; Day, Marcus S.; Bell, John B.

2004-12-23

W. C. Gardiner observed that achieving understanding through combustion modeling is limited by the ability to recognize the implications of what has been computed and to draw conclusions about the elementary steps underlying the reaction mechanism. This difficulty can be overcome in part by making better use of reaction path analysis in the context of multidimensional flame simulations. Following a survey of current practice, an integral reaction flux is formulated in terms of conserved scalars that can be calculated in a fully automated way. Conditional analyses are then introduced, and a taxonomy for bidirectional path analysis is explored. Many examplesmore » illustrate the resulting path analysis and uncover some new results about nonpremixed methane-air laminar jets.« less

Comparative Analysis of English Language Student's School Paths at a Mexico University

ERIC Educational Resources Information Center

Robelo, Octaviano García; Marquez, Jorge Hernández; Pérez, Ileana Casasola

2017-01-01

Seven factors related to academic paths of students of the Bachelor of English Language of a public university in Mexico are investigated. With a non-experimental descriptive design, a Likert scale was applied to evaluate the college students' perception of these factors. A comparative analysis between three types of school paths was performed. It…

Path Analysis and Residual Plotting as Methods of Environmental Scanning in Higher Education: An Illustration with Applications and Enrollments.

ERIC Educational Resources Information Center

Morcol, Goktug; McLaughlin, Gerald W.

1990-01-01

The study proposes using path analysis and residual plotting as methods supporting environmental scanning in strategic planning for higher education institutions. Path models of three levels of independent variables are developed. Dependent variables measuring applications and enrollments at Virginia Polytechnic Institute and State University are…

Circular common-path point diffraction interferometer.

PubMed

Du, Yongzhao; Feng, Guoying; Li, Hongru; Vargas, J; Zhou, Shouhuan

2012-10-01

A simple and compact point-diffraction interferometer with circular common-path geometry configuration is developed. The interferometer is constructed by a beam-splitter, two reflection mirrors, and a telescope system composed by two lenses. The signal and reference waves travel along the same path. Furthermore, an opaque mask containing a reference pinhole and a test object holder or test window is positioned in the common focal plane of the telescope system. The object wave is divided into two beams that take opposite paths along the interferometer. The reference wave is filtered by the reference pinhole, while the signal wave is transmitted through the object holder. The reference and signal waves are combined again in the beam-splitter and their interference is imaged in the CCD. The new design is compact, vibration insensitive, and suitable for the measurement of moving objects or dynamic processes.

Generalized Ensemble Sampling of Enzyme Reaction Free Energy Pathways

PubMed Central

Wu, Dongsheng; Fajer, Mikolai I.; Cao, Liaoran; Cheng, Xiaolin; Yang, Wei

2016-01-01

Free energy path sampling plays an essential role in computational understanding of chemical reactions, particularly those occurring in enzymatic environments. Among a variety of molecular dynamics simulation approaches, the generalized ensemble sampling strategy is uniquely attractive for the fact that it not only can enhance the sampling of rare chemical events but also can naturally ensure consistent exploration of environmental degrees of freedom. In this review, we plan to provide a tutorial-like tour on an emerging topic: generalized ensemble sampling of enzyme reaction free energy path. The discussion is largely focused on our own studies, particularly ones based on the metadynamics free energy sampling method and the on-the-path random walk path sampling method. We hope that this mini presentation will provide interested practitioners some meaningful guidance for future algorithm formulation and application study. PMID:27498634

A Dynamic Bayesian Observer Model Reveals Origins of Bias in Visual Path Integration.

PubMed

Lakshminarasimhan, Kaushik J; Petsalis, Marina; Park, Hyeshin; DeAngelis, Gregory C; Pitkow, Xaq; Angelaki, Dora E

2018-06-20

Path integration is a strategy by which animals track their position by integrating their self-motion velocity. To identify the computational origins of bias in visual path integration, we asked human subjects to navigate in a virtual environment using optic flow and found that they generally traveled beyond the goal location. Such a behavior could stem from leaky integration of unbiased self-motion velocity estimates or from a prior expectation favoring slower speeds that causes velocity underestimation. Testing both alternatives using a probabilistic framework that maximizes expected reward, we found that subjects' biases were better explained by a slow-speed prior than imperfect integration. When subjects integrate paths over long periods, this framework intriguingly predicts a distance-dependent bias reversal due to buildup of uncertainty, which we also confirmed experimentally. These results suggest that visual path integration in noisy environments is limited largely by biases in processing optic flow rather than by leaky integration. Copyright © 2018 Elsevier Inc. All rights reserved.

On computing the global time-optimal motions of robotic manipulators in the presence of obstacles

NASA Technical Reports Server (NTRS)

Shiller, Zvi; Dubowsky, Steven

1991-01-01

A method for computing the time-optimal motions of robotic manipulators is presented that considers the nonlinear manipulator dynamics, actuator constraints, joint limits, and obstacles. The optimization problem is reduced to a search for the time-optimal path in the n-dimensional position space. A small set of near-optimal paths is first efficiently selected from a grid, using a branch and bound search and a series of lower bound estimates on the traveling time along a given path. These paths are further optimized with a local path optimization to yield the global optimal solution. Obstacles are considered by eliminating the collision points from the tessellated space and by adding a penalty function to the motion time in the local optimization. The computational efficiency of the method stems from the reduced dimensionality of the searched spaced and from combining the grid search with a local optimization. The method is demonstrated in several examples for two- and six-degree-of-freedom manipulators with obstacles.

Inclusion of trial functions in the Langevin equation path integral ground state method: Application to parahydrogen clusters and their isotopologues

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

Schmidt, Matthew; Constable, Steve; Ing, Christopher

2014-06-21

We developed and studied the implementation of trial wavefunctions in the newly proposed Langevin equation Path Integral Ground State (LePIGS) method [S. Constable, M. Schmidt, C. Ing, T. Zeng, and P.-N. Roy, J. Phys. Chem. A 117, 7461 (2013)]. The LePIGS method is based on the Path Integral Ground State (PIGS) formalism combined with Path Integral Molecular Dynamics sampling using a Langevin equation based sampling of the canonical distribution. This LePIGS method originally incorporated a trivial trial wavefunction, ψ{sub T}, equal to unity. The present paper assesses the effectiveness of three different trial wavefunctions on three isotopes of hydrogen formore » cluster sizes N = 4, 8, and 13. The trial wavefunctions of interest are the unity trial wavefunction used in the original LePIGS work, a Jastrow trial wavefunction that includes correlations due to hard-core repulsions, and a normal mode trial wavefunction that includes information on the equilibrium geometry. Based on this analysis, we opt for the Jastrow wavefunction to calculate energetic and structural properties for parahydrogen, orthodeuterium, and paratritium clusters of size N = 4 − 19, 33. Energetic and structural properties are obtained and compared to earlier work based on Monte Carlo PIGS simulations to study the accuracy of the proposed approach. The new results for paratritium clusters will serve as benchmark for future studies. This paper provides a detailed, yet general method for optimizing the necessary parameters required for the study of the ground state of a large variety of systems.« less

A Dynamic Resilience Approach for WDM Optical Networks

NASA Astrophysics Data System (ADS)

Garg, Amit Kumar

2017-12-01

Optical fibres have been developed as a transmission medium to carry traffic in order to provide various services in telecommunications platform. Failure of this fibre caused loss of data which can interrupt communication services. This paper has been focused only on survivable schemes in order to guarantee both protection and restoration in WDM optical networks. In this paper, a dynamic resilience approach has been proposed whose objective is to route the flows in a way which minimizes the total amount of bandwidth used for working and protection paths. In the proposed approach, path-based protection is utilized because it yields lower overhead and is also suitable for global optimization where, in case of a single link failure, all the flows utilizing the failed link are re-routed to a pre-computed set of paths. The simulation results demonstrate that proposed approach is much more efficient as it provides better quality of services (QoS) in terms of network resource utilization, blocking probability etc. as compared to conventional protection and restoration schemes. The proposed approach seems to offer an attractive combination of features, with both ring like speed and mesh-like efficiency.

A multipath routing protocol based on clustering and ant colony optimization for wireless sensor networks.

PubMed

Yang, Jing; Xu, Mai; Zhao, Wei; Xu, Baoguo

2010-01-01

For monitoring burst events in a kind of reactive wireless sensor networks (WSNs), a multipath routing protocol (MRP) based on dynamic clustering and ant colony optimization (ACO) is proposed. Such an approach can maximize the network lifetime and reduce the energy consumption. An important attribute of WSNs is their limited power supply, and therefore some metrics (such as energy consumption of communication among nodes, residual energy, path length) were considered as very important criteria while designing routing in the MRP. Firstly, a cluster head (CH) is selected among nodes located in the event area according to some parameters, such as residual energy. Secondly, an improved ACO algorithm is applied in the search for multiple paths between the CH and sink node. Finally, the CH dynamically chooses a route to transmit data with a probability that depends on many path metrics, such as energy consumption. The simulation results show that MRP can prolong the network lifetime, as well as balance of energy consumption among nodes and reduce the average energy consumption effectively.

The Lateral Tracking Control for the Intelligent Vehicle Based on Adaptive PID Neural Network.

PubMed

Han, Gaining; Fu, Weiping; Wang, Wen; Wu, Zongsheng

2017-05-30

The intelligent vehicle is a complicated nonlinear system, and the design of a path tracking controller is one of the key technologies in intelligent vehicle research. This paper mainly designs a lateral control dynamic model of the intelligent vehicle, which is used for lateral tracking control. Firstly, the vehicle dynamics model (i.e., transfer function) is established according to the vehicle parameters. Secondly, according to the vehicle steering control system and the CARMA (Controlled Auto-Regression and Moving-Average) model, a second-order control system model is built. Using forgetting factor recursive least square estimation (FFRLS), the system parameters are identified. Finally, a neural network PID (Proportion Integral Derivative) controller is established for lateral path tracking control based on the vehicle model and the steering system model. Experimental simulation results show that the proposed model and algorithm have the high real-time and robustness in path tracing control. This provides a certain theoretical basis for intelligent vehicle autonomous navigation tracking control, and lays the foundation for the vertical and lateral coupling control.

Neural dynamics for landmark orientation and angular path integration

PubMed Central

Seelig, Johannes D.; Jayaraman, Vivek

2015-01-01

Summary Many animals navigate using a combination of visual landmarks and path integration. In mammalian brains, head direction cells integrate these two streams of information by representing an animal's heading relative to landmarks, yet maintaining their directional tuning in darkness based on self-motion cues. Here we use two-photon calcium imaging in head-fixed flies walking on a ball in a virtual reality arena to demonstrate that landmark-based orientation and angular path integration are combined in the population responses of neurons whose dendrites tile the ellipsoid body — a toroidal structure in the center of the fly brain. The population encodes the fly's azimuth relative to its environment, tracking visual landmarks when available and relying on self-motion cues in darkness. When both visual and self-motion cues are absent, a representation of the animal's orientation is maintained in this network through persistent activity — a potential substrate for short-term memory. Several features of the population dynamics of these neurons and their circular anatomical arrangement are suggestive of ring attractors — network structures proposed to support the function of navigational brain circuits. PMID:25971509

The Lateral Tracking Control for the Intelligent Vehicle Based on Adaptive PID Neural Network

PubMed Central

Han, Gaining; Fu, Weiping; Wang, Wen; Wu, Zongsheng

2017-01-01

The intelligent vehicle is a complicated nonlinear system, and the design of a path tracking controller is one of the key technologies in intelligent vehicle research. This paper mainly designs a lateral control dynamic model of the intelligent vehicle, which is used for lateral tracking control. Firstly, the vehicle dynamics model (i.e., transfer function) is established according to the vehicle parameters. Secondly, according to the vehicle steering control system and the CARMA (Controlled Auto-Regression and Moving-Average) model, a second-order control system model is built. Using forgetting factor recursive least square estimation (FFRLS), the system parameters are identified. Finally, a neural network PID (Proportion Integral Derivative) controller is established for lateral path tracking control based on the vehicle model and the steering system model. Experimental simulation results show that the proposed model and algorithm have the high real-time and robustness in path tracing control. This provides a certain theoretical basis for intelligent vehicle autonomous navigation tracking control, and lays the foundation for the vertical and lateral coupling control. PMID:28556817

Road Traffic Anomaly Detection via Collaborative Path Inference from GPS Snippets

PubMed Central

Wang, Hongtao; Wen, Hui; Yi, Feng; Zhu, Hongsong; Sun, Limin

2017-01-01

Road traffic anomaly denotes a road segment that is anomalous in terms of traffic flow of vehicles. Detecting road traffic anomalies from GPS (Global Position System) snippets data is becoming critical in urban computing since they often suggest underlying events. However, the noisy and sparse nature of GPS snippets data have ushered multiple problems, which have prompted the detection of road traffic anomalies to be very challenging. To address these issues, we propose a two-stage solution which consists of two components: a Collaborative Path Inference (CPI) model and a Road Anomaly Test (RAT) model. CPI model performs path inference incorporating both static and dynamic features into a Conditional Random Field (CRF). Dynamic context features are learned collaboratively from large GPS snippets via a tensor decomposition technique. Then RAT calculates the anomalous degree for each road segment from the inferred fine-grained trajectories in given time intervals. We evaluated our method using a large scale real world dataset, which includes one-month GPS location data from more than eight thousand taxicabs in Beijing. The evaluation results show the advantages of our method beyond other baseline techniques. PMID:28282948

Spatiotemporal Heterogeneity of Dissolved Organic Carbon in Waters and Soils in a Snow-dominated Headwater Catchment: Investigations at Reynolds Creek Critical Zone Observatory, Owyhee County, Idaho

NASA Astrophysics Data System (ADS)

Radke, A. G.; Godsey, S.; Lohse, K. A.; Huber, D. P.; Patton, N. R.; Holbrook, S.

2017-12-01

The non-uniform distribution of precipitation in snowmelt-driven systems—the result of blowing and drifting snow—is a primary driver of spatial heterogeneity in vegetative communities and soil development. Snowdrifts may increase bedrock weathering below them, creating deeper soils and the potential for greater fracture flow. These snowdrift areas are also commonly more productive than the snow-starved, scoured areas where wind has removed snow. Warming-induced changes in the fraction of precipitation falling as snow, and therefore subject to drifting, may significantly affect carbon dynamics on multiple timescales. The focus of this study is to understand the coupled hydrological and carbon dynamics in a heterogeneous, drift-dominated watershed. We seek to determine the paths of soil water and groundwater in a small headwater catchment (Reynolds Mountain East, Reynolds Creek Critical Zone Observatory, Idaho, USA). Additionally, we anticipate quantifying the flux of dissolved organic carbon through these paths, and relate this to zones of greater vegetative productivity. We deduce likely flowpaths through a combination of soil water, groundwater, and precipitation characterization. Along a transect running from a snowdrift to the stream, we measure hydrometric and hydrochemical signatures of flow throughout the snowmelt period and summer. We then use end-member-mixing analysis to interpret flowpaths in light of inferred subsurface structure derived from drilling and electrical resistance tomography transects. Preliminary results from soil moisture sensors suggest that increased bedrock weathering creates pathways by which snowmelt bypasses portions of the soil, further increasing landscape heterogeneity. Further analysis will identify seasonal changes in carbon sourcing for this watershed, but initial indications are that spring streamwater is sourced primarily from soil water, with close associations between soil carbon and DOC.

Balance failure in single limb stance due to ankle sprain injury: an analysis of center of pressure using the fractal dimension method.

PubMed

Doherty, Cailbhe; Bleakley, Chris; Hertel, Jay; Caulfield, Brian; Ryan, John; Delahunt, Eamonn

2014-01-01

Instrumented postural control analysis plays an important role in evaluating the effects of injury on dynamic stability during balance tasks, and is often conveyed with measures based on the displacement of the center-of-pressure (COP) assessed with a force platform. However, the desired outcome of the task is frequently characterized by a loss of dynamic stability, secondary to injury. Typically, these failed trials are discarded during research investigations, with the potential loss of informative data pertaining to task success. The novelty of the present study is that COP characteristics of failed trials in injured participants are compared to successful trial data in another injured group, and a control group of participants, using the fractal dimension (FD) method. Three groups of participants attempted a task of eyes closed single limb stance (SLS): twenty-nine participants with acute ankle sprain successfully completed the task on their non-injured limb (successful injury group); twenty eight participants with acute ankle sprain failed their attempt on their injured limb (failed injury group); sixteen participants with no current injury successfully completed the task on their non-dominant limb (successful non-injured group). Between trial analyses of these groups revealed significant differences in COP trajectory FD (successful injury group: 1.58±0.06; failed injury group: 1.54±0.07; successful non-injured group: 1.64±0.06) with a large effect size (0.27). These findings demonstrate that successful eyes-closed SLS is characterized by a larger FD of the COP path when compared to failed trials, and that injury causes a decrease in COP path FD. Copyright © 2014 Elsevier B.V. All rights reserved.

The efficiency of parameter estimation of latent path analysis using summated rating scale (SRS) and method of successive interval (MSI) for transformation of score to scale

NASA Astrophysics Data System (ADS)

Solimun, Fernandes, Adji Achmad Rinaldo; Arisoesilaningsih, Endang

2017-12-01

Research in various fields generally investigates systems and involves latent variables. One method to analyze the model representing the system is path analysis. The data of latent variables measured using questionnaires by applying attitude scale model yields data in the form of score, before analyzed should be transformation so that it becomes data of scale. Path coefficient, is parameter estimator, calculated from scale data using method of successive interval (MSI) and summated rating scale (SRS). In this research will be identifying which data transformation method is better. Path coefficients have smaller varieties are said to be more efficient. The transformation method that produces scaled data and used in path analysis capable of producing path coefficients (parameter estimators) with smaller varieties is said to be better. The result of analysis using real data shows that on the influence of Attitude variable to Intention Entrepreneurship, has relative efficiency (ER) = 1, where it shows that the result of analysis using data transformation of MSI and SRS as efficient. On the other hand, for simulation data, at high correlation between items (0.7-0.9), MSI method is more efficient 1.3 times better than SRS method.

Design and Analysis of Turbines for Space Applications

NASA Technical Reports Server (NTRS)

Griffin, Lisa W.; Dorney, Daniel J.; Huber, Frank W.

2003-01-01

In order to mitigate the risk of rocket propulsion development, efficient, accurate, detailed fluid dynamics analysis of the turbomachinery is necessary. This analysis is used for component development, design parametrics, performance prediction, and environment definition. To support this requirement, a task was developed at NASAh4arshall Space Flight Center (MSFC) to improve turbine aerodynamic performance through the application of advanced design and analysis tools. There are four major objectives of this task: 1) to develop, enhance, and integrate advanced turbine aerodynamic design and analysis tools; 2) to develop the methodology for application of the analytical techniques; 3) to demonstrate the benefits of the advanced turbine design procedure through its application to a relevant turbine design point; and 4) to verify the optimized design and analysis with testing. The turbine chosen on which to demonstrate the procedure was a supersonic design suitable for a reusable launch vehicle (RLV). The hot gas path and blading were redesigned to obtain an increased efficiency. The redesign of the turbine was conducted with a consideration of system requirements, realizing that a highly efficient turbine that, for example, significantly increases engine weight, is of limited benefit. Both preliminary and detailed designs were considered. To generate an improved design, one-dimensional (1D) design and analysis tools, computational fluid dynamics (CFD), response surface methodology (RSM), and neural nets (NN) were used.

Efficient shortest-path-tree computation in network routing based on pulse-coupled neural networks.

PubMed

Qu, Hong; Yi, Zhang; Yang, Simon X

2013-06-01

Shortest path tree (SPT) computation is a critical issue for routers using link-state routing protocols, such as the most commonly used open shortest path first and intermediate system to intermediate system. Each router needs to recompute a new SPT rooted from itself whenever a change happens in the link state. Most commercial routers do this computation by deleting the current SPT and building a new one using static algorithms such as the Dijkstra algorithm at the beginning. Such recomputation of an entire SPT is inefficient, which may consume a considerable amount of CPU time and result in a time delay in the network. Some dynamic updating methods using the information in the updated SPT have been proposed in recent years. However, there are still many limitations in those dynamic algorithms. In this paper, a new modified model of pulse-coupled neural networks (M-PCNNs) is proposed for the SPT computation. It is rigorously proved that the proposed model is capable of solving some optimization problems, such as the SPT. A static algorithm is proposed based on the M-PCNNs to compute the SPT efficiently for large-scale problems. In addition, a dynamic algorithm that makes use of the structure of the previously computed SPT is proposed, which significantly improves the efficiency of the algorithm. Simulation results demonstrate the effective and efficient performance of the proposed approach.

A CFD study of Screw Compressor Motor Cooling Analysis

NASA Astrophysics Data System (ADS)

Branch, S.

2017-08-01

Screw compressors use electric motors to drive the male screw rotor. They are cooled by the suction refrigerant vapor that flows around the motor. The thermal conditions of the motor can dramatically influence the performance and reliability of the compressor. The more optimized this flow path is, the better the motor performance. For that reason it is important to understand the flow characteristics around the motor and the motor temperatures. Computational fluid dynamics (CFD) can be used to provide a detailed analysis of the refrigerant’s flow behavior and motor temperatures to identify the undesirable hot spots in the motor. CFD analysis can be used further to optimize the flow path and determine the reduction of hot spots and cooling effect. This study compares the CFD solutions of a motor cooling model to a motor installed with thermocouples measured in the lab. The compressor considered for this study is an R134a screw compressor. The CFD simulation of the motor consists of a detailed breakdown of the stator and rotor components. Orthotropic thermal conductivity material properties are used to represent the simplified motor geometry. In addition, the analysis includes the motor casings of the compressor to draw heat away from the motor by conduction. The study will look at different operating conditions and motor speeds. Finally, the CFD study will investigate the predicted motor temperature change by varying the vapor mass flow rates and motor speed. Recommendations for CFD modeling of such intricate heat transfer phenomenon have thus been proposed.

Nonequilibrium Phase Transitions in Supercooled Water

NASA Astrophysics Data System (ADS)

Limmer, David; Chandler, David

2012-02-01

We present results of a simulation study of water driven out of equilibrium. Using transition path sampling, we can probe stationary path distributions parameterize by order parameters that are extensive in space and time. We find that by coupling external fields to these parameters, we can drive water through a first order dynamical phase transition into amorphous ice. By varying the initial equilibrium distributions we can probe pathways for the creation of amorphous ices of low and high densities.

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

NASA Technical Reports Server (NTRS)

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

1982-01-01

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

A path integral approach to the Hodgkin-Huxley model

NASA Astrophysics Data System (ADS)

Baravalle, Roman; Rosso, Osvaldo A.; Montani, Fernando

2017-11-01

To understand how single neurons process sensory information, it is necessary to develop suitable stochastic models to describe the response variability of the recorded spike trains. Spikes in a given neuron are produced by the synergistic action of sodium and potassium of the voltage-dependent channels that open or close the gates. Hodgkin and Huxley (HH) equations describe the ionic mechanisms underlying the initiation and propagation of action potentials, through a set of nonlinear ordinary differential equations that approximate the electrical characteristics of the excitable cell. Path integral provides an adequate approach to compute quantities such as transition probabilities, and any stochastic system can be expressed in terms of this methodology. We use the technique of path integrals to determine the analytical solution driven by a non-Gaussian colored noise when considering the HH equations as a stochastic system. The different neuronal dynamics are investigated by estimating the path integral solutions driven by a non-Gaussian colored noise q. More specifically we take into account the correlational structures of the complex neuronal signals not just by estimating the transition probability associated to the Gaussian approach of the stochastic HH equations, but instead considering much more subtle processes accounting for the non-Gaussian noise that could be induced by the surrounding neural network and by feedforward correlations. This allows us to investigate the underlying dynamics of the neural system when different scenarios of noise correlations are considered.

Impeller leakage flow modeling for mechanical vibration control

NASA Technical Reports Server (NTRS)

Palazzolo, Alan B.

1996-01-01

HPOTP and HPFTP vibration test results have exhibited transient and steady characteristics which may be due to impeller leakage path (ILP) related forces. For example, an axial shift in the rotor could suddenly change the ILP clearances and lengths yielding dynamic coefficient and subsequent vibration changes. ILP models are more complicated than conventional-single component-annular seal models due to their radial flow component (coriolis and centrifugal acceleration), complex geometry (axial/radial clearance coupling), internal boundary (transition) flow conditions between mechanical components along the ILP and longer length, requiring moment as well as force coefficients. Flow coupling between mechanical components results from mass and energy conservation applied at their interfaces. Typical components along the ILP include an inlet seal, curved shroud, and an exit seal, which may be a stepped labyrinth type. Von Pragenau (MSFC) has modeled labyrinth seals as a series of plain annular seals for leakage and dynamic coefficient prediction. These multi-tooth components increase the total number of 'flow coupled' components in the ILP. Childs developed an analysis for an ILP consisting of a single, constant clearance shroud with an exit seal represented by a lumped flow-loss coefficient. This same geometry was later extended to include compressible flow. The objective of the current work is to: supply ILP leakage-force impedance-dynamic coefficient modeling software to MSFC engineers, base on incompressible/compressible bulk flow theory; design the software to model a generic geometry ILP described by a series of components lying along an arbitrarily directed path; validate the software by comparison to available test data, CFD and bulk models; and develop a hybrid CFD-bulk flow model of an ILP to improve modeling accuracy within practical run time constraints.

Reliability and concurrent validity of the Microsoft Xbox One Kinect for assessment of standing balance and postural control.

PubMed

Clark, Ross A; Pua, Yong-Hao; Oliveira, Cristino C; Bower, Kelly J; Thilarajah, Shamala; McGaw, Rebekah; Hasanki, Ksaniel; Mentiplay, Benjamin F

2015-07-01

The Microsoft Kinect V2 for Windows, also known as the Xbox One Kinect, includes new and potentially far improved depth and image sensors which may increase its accuracy for assessing postural control and balance. The aim of this study was to assess the concurrent validity and reliability of kinematic data recorded using a marker-based three dimensional motion analysis (3DMA) system and the Kinect V2 during a variety of static and dynamic balance assessments. Thirty healthy adults performed two sessions, separated by one week, consisting of static standing balance tests under different visual (eyes open vs. closed) and supportive (single limb vs. double limb) conditions, and dynamic balance tests consisting of forward and lateral reach and an assessment of limits of stability. Marker coordinate and joint angle data were concurrently recorded using the Kinect V2 skeletal tracking algorithm and the 3DMA system. Task-specific outcome measures from each system on Day 1 and 2 were compared. Concurrent validity of trunk angle data during the dynamic tasks and anterior-posterior range and path length in the static balance tasks was excellent (Pearson's r>0.75). In contrast, concurrent validity for medial-lateral range and path length was poor to modest for all trials except single leg eyes closed balance. Within device test-retest reliability was variable; however, the results were generally comparable between devices. In conclusion, the Kinect V2 has the potential to be used as a reliable and valid tool for the assessment of some aspects of balance performance. Copyright © 2015 Elsevier B.V. All rights reserved.

ADAPT

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

Reynolds, John; Jankovsky, Zachary; Metzroth, Kyle G

2018-04-04

The purpose of the ADAPT code is to generate Dynamic Event Trees (DET) using a user specified set of simulators. ADAPT can utilize any simulation tool which meets a minimal set of requirements. ADAPT is based on the concept of DET which uses explicit modeling of the deterministic dynamic processes that take place during a nuclear reactor plant system (or other complex system) evolution along with stochastic modeling. When DET are used to model various aspects of Probabilistic Risk Assessment (PRA), all accident progression scenarios starting from an initiating event are considered simultaneously. The DET branching occurs at user specifiedmore » times and/or when an action is required by the system and/or the operator. These outcomes then decide how the dynamic system variables will evolve in time for each DET branch. Since two different outcomes at a DET branching may lead to completely different paths for system evolution, the next branching for these paths may occur not only at separate times, but can be based on different branching criteria. The computational infrastructure allows for flexibility in ADAPT to link with different system simulation codes, parallel processing of the scenarios under consideration, on-line scenario management (initiation as well as termination), analysis of results, and user friendly graphical capabilities. The ADAPT system is designed for a distributed computing environment; the scheduler can track multiple concurrent branches simultaneously. The scheduler is modularized so that the DET branching strategy can be modified (e.g. biasing towards the worst-case scenario/event). Independent database systems store data from the simulation tasks and the DET structure so that the event tree can be constructed and analyzed later. ADAPT is provided with a user-friendly client which can easily sort through and display the results of an experiment, precluding the need for the user to manually inspect individual simulator runs.« less

Autonomous Robot Navigation in Human-Centered Environments Based on 3D Data Fusion

NASA Astrophysics Data System (ADS)

Steinhaus, Peter; Strand, Marcus; Dillmann, Rüdiger

2007-12-01

Efficient navigation of mobile platforms in dynamic human-centered environments is still an open research topic. We have already proposed an architecture (MEPHISTO) for a navigation system that is able to fulfill the main requirements of efficient navigation: fast and reliable sensor processing, extensive global world modeling, and distributed path planning. Our architecture uses a distributed system of sensor processing, world modeling, and path planning units. In this arcticle, we present implemented methods in the context of data fusion algorithms for 3D world modeling and real-time path planning. We also show results of the prototypic application of the system at the museum ZKM (center for art and media) in Karlsruhe.

Dynamics of 17F + 58Ni reaction via complete and incomplete fusion processes at above barrier energies

NASA Astrophysics Data System (ADS)

Grover, Neha; Sandhu, Kirandeep; Sharma, Manoj K.

2018-06-01

The dynamics of 17F + 58Ni reaction induced via a loosely bound projectile (17F) is examined using the collective clusterization approach of the dynamical cluster decay model (DCM) with respect to the recent experimental data available at beam energies Ebeam = 54.1 and 58.5 MeV. The calculations are done for quadrupole deformations of fragments using the optimum orientation approach. In view of the loosely bound nature of 17F, the main focus of the present work is on the comparison of complete and incomplete fusion. It is studied using various components such as fragmentation potential, mass distribution, and barrier modification. Different decay modes (ER, IMF, HMF, and fission) are also compared to determine the complete fusion and incomplete fusion paths. Additionally, the decay paths of the nucleus formed from loosely bound (17F) and tightly bound (16O) projectiles are compared. Furthermore, the role of temperature-dependent pairing strength is analyzed in terms of the binary fragmentation of the compound system formed.

Simulation study on dynamics model of two kinds of on-orbit soft-contact mechanism

NASA Astrophysics Data System (ADS)

Ye, X.; Dong, Z. H.; Yang, F.

2018-05-01

Aiming at the problem that the operating conditions of the space manipulator is harsh and the space manipulator could not bear the large collision momentum, this paper presents a new concept and technical method, namely soft contact technology. Based on ADAMS dynamics software, this paper compares and simulates the mechanism model of on-orbit soft-contact mechanism based on the bionic model and the integrated double joint model. The main purpose is to verify the path planning ability and the momentum buffering ability based on the different design concept mechanism. The simulation results show that both the two mechanism models have the path planning function before the space target contact, and also has the momentum buffer and controllability during the space target contact process.

Energy management during the space shuttle transition

NASA Technical Reports Server (NTRS)

Stengel, R. F.

1972-01-01

An approach to calculating optimal, gliding flight paths of the type associated with the space shuttle's transition from entry to cruising flight is presented. Kinetic energy and total energy (per unit weight) replace velocity and time in the dynamic equations, reducing the dimension and complexity of the problem. The capability for treating integral and terminal penalties (as well as Mach number effects) is retained in the numerical optimization; hence, stability and control boundaries can be observed as trajectories to the desired final energy, flight path angle, and range are determined. Numerical results show that the jump to the front-side of the L/D curve need not be made until the end of the transition and that the dynamic model provides a conservative range estimate. Alternatives for real time trajectory control are discussed.

Fast and accurate quantum molecular dynamics of dense plasmas across temperature regimes

DOE PAGES

Sjostrom, Travis; Daligault, Jerome

2014-10-10

Here, we develop and implement a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method is based on a carefully designed orbital-free implementation of density functional theory. The results for hydrogen and aluminum are in very good agreement with Kohn-Sham (orbital-based) density functional theory and path integral Monte Carlo calculations for microscopic features such as the electron density as well as the equation of state. The present approach does not scale with temperature and hence extends to higher temperatures than is accessible in the Kohn-Sham method and lowermore » temperatures than is accessible by path integral Monte Carlo calculations, while being significantly less computationally expensive than either of those two methods.« less

Dynamics of magnetic shells and information loss problem

NASA Astrophysics Data System (ADS)

Lee, Bum-Hoon; Lee, Wonwoo; Yeom, Dong-han

2015-07-01

We investigate dynamics of magnetic thin-shells in three dimensional anti-de Sitter background. Because of the magnetic field, an oscillatory solution is possible. This oscillating shell can tunnel to a collapsing shell or a bouncing shell, where both tunnelings induce an event horizon and a singularity. In the entire path integral, via the oscillating solution, there is a nonzero probability to maintain a trivial causal structure without a singularity. Therefore, due to the path integral, the entire wave function can conserve information. Since an oscillating shell can tunnel after a number of oscillations, in the end, it will allow an infinite number of different branchings to classical histories. This system can be a good model of the effective loss of information, where information is conserved by a solution that is originated from gauge fields.

The Use of Non-Standard Devices in Finite Element Analysis

NASA Technical Reports Server (NTRS)

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

2001-01-01

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

A practical method to avoid zero-point leak in molecular dynamics calculations: application to the water dimer.

PubMed

Czakó, Gábor; Kaledin, Alexey L; Bowman, Joel M

2010-04-28

We report the implementation of a previously suggested method to constrain a molecular system to have mode-specific vibrational energy greater than or equal to the zero-point energy in quasiclassical trajectory calculations [J. M. Bowman et al., J. Chem. Phys. 91, 2859 (1989); W. H. Miller et al., J. Chem. Phys. 91, 2863 (1989)]. The implementation is made practical by using a technique described recently [G. Czako and J. M. Bowman, J. Chem. Phys. 131, 244302 (2009)], where a normal-mode analysis is performed during the course of a trajectory and which gives only real-valued frequencies. The method is applied to the water dimer, where its effectiveness is shown by computing mode energies as a function of integration time. Radial distribution functions are also calculated using constrained quasiclassical and standard classical molecular dynamics at low temperature and at 300 K and compared to rigorous quantum path integral calculations.

Committor of elementary reactions on multistate systems

NASA Astrophysics Data System (ADS)

Király, Péter; Kiss, Dóra Judit; Tóth, Gergely

2018-04-01

In our study, we extend the committor concept on multi-minima systems, where more than one reaction may proceed, but the feasible data evaluation needs the projection onto partial reactions. The elementary reaction committor and the corresponding probability density of the reactive trajectories are defined and calculated on a three-hole two-dimensional model system explored by single-particle Langevin dynamics. We propose a method to visualize more elementary reaction committor functions or probability densities of reactive trajectories on a single plot that helps to identify the most important reaction channels and the nonreactive domains simultaneously. We suggest a weighting for the energy-committor plots that correctly shows the limits of both the minimal energy path and the average energy concepts. The methods also performed well on the analysis of molecular dynamics trajectories of 2-chlorobutane, where an elementary reaction committor, the probability densities, the potential energy/committor, and the free-energy/committor curves are presented.

Marine Vehicle Sensor Network Architecture and Protocol Designs for Ocean Observation

PubMed Central

Zhang, Shaowei; Yu, Jiancheng; Zhang, Aiqun; Yang, Lei; Shu, Yeqiang

2012-01-01

The micro-scale and meso-scale ocean dynamic processes which are nonlinear and have large variability, have a significant impact on the fisheries, natural resources, and marine climatology. A rapid, refined and sophisticated observation system is therefore needed in marine scientific research. The maneuverability and controllability of mobile sensor platforms make them a preferred choice to establish ocean observing networks, compared to the static sensor observing platform. In this study, marine vehicles are utilized as the nodes of mobile sensor networks for coverage sampling of a regional ocean area and ocean feature tracking. A synoptic analysis about marine vehicle dynamic control, multi vehicles mission assignment and path planning methods, and ocean feature tracking and observing techniques is given. Combined with the observation plan in the South China Sea, we provide an overview of the mobile sensor networks established with marine vehicles, and the corresponding simulation results. PMID:22368475

Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction

NASA Astrophysics Data System (ADS)

Minitti, M. P.; Budarz, J. M.; Kirrander, A.; Robinson, J. S.; Ratner, D.; Lane, T. J.; Zhu, D.; Glownia, J. M.; Kozina, M.; Lemke, H. T.; Sikorski, M.; Feng, Y.; Nelson, S.; Saita, K.; Stankus, B.; Northey, T.; Hastings, J. B.; Weber, P. M.

2015-06-01

Structural rearrangements within single molecules occur on ultrafast time scales. Many aspects of molecular dynamics, such as the energy flow through excited states, have been studied using spectroscopic techniques, yet the goal to watch molecules evolve their geometrical structure in real time remains challenging. By mapping nuclear motions using femtosecond x-ray pulses, we have created real-space representations of the evolving dynamics during a well-known chemical reaction and show a series of time-sorted structural snapshots produced by ultrafast time-resolved hard x-ray scattering. A computational analysis optimally matches the series of scattering patterns produced by the x rays to a multitude of potential reaction paths. In so doing, we have made a critical step toward the goal of viewing chemical reactions on femtosecond time scales, opening a new direction in studies of ultrafast chemical reactions in the gas phase.