A Neurocomputational Model of Goal-Directed Navigation in Insect-Inspired Artificial Agents

PubMed Central

Goldschmidt, Dennis; Manoonpong, Poramate; Dasgupta, Sakyasingha

2017-01-01

Despite their small size, insect brains are able to produce robust and efficient navigation in complex environments. Specifically in social insects, such as ants and bees, these navigational capabilities are guided by orientation directing vectors generated by a process called path integration. During this process, they integrate compass and odometric cues to estimate their current location as a vector, called the home vector for guiding them back home on a straight path. They further acquire and retrieve path integration-based vector memories globally to the nest or based on visual landmarks. Although existing computational models reproduced similar behaviors, a neurocomputational model of vector navigation including the acquisition of vector representations has not been described before. Here we present a model of neural mechanisms in a modular closed-loop control—enabling vector navigation in artificial agents. The model consists of a path integration mechanism, reward-modulated global learning, random search, and action selection. The path integration mechanism integrates compass and odometric cues to compute a vectorial representation of the agent's current location as neural activity patterns in circular arrays. A reward-modulated learning rule enables the acquisition of vector memories by associating the local food reward with the path integration state. A motor output is computed based on the combination of vector memories and random exploration. In simulation, we show that the neural mechanisms enable robust homing and localization, even in the presence of external sensory noise. The proposed learning rules lead to goal-directed navigation and route formation performed under realistic conditions. Consequently, we provide a novel approach for vector learning and navigation in a simulated, situated agent linking behavioral observations to their possible underlying neural substrates. PMID:28446872

A Neurocomputational Model of Goal-Directed Navigation in Insect-Inspired Artificial Agents.

PubMed

Goldschmidt, Dennis; Manoonpong, Poramate; Dasgupta, Sakyasingha

2017-01-01

Despite their small size, insect brains are able to produce robust and efficient navigation in complex environments. Specifically in social insects, such as ants and bees, these navigational capabilities are guided by orientation directing vectors generated by a process called path integration. During this process, they integrate compass and odometric cues to estimate their current location as a vector, called the home vector for guiding them back home on a straight path. They further acquire and retrieve path integration-based vector memories globally to the nest or based on visual landmarks. Although existing computational models reproduced similar behaviors, a neurocomputational model of vector navigation including the acquisition of vector representations has not been described before. Here we present a model of neural mechanisms in a modular closed-loop control-enabling vector navigation in artificial agents. The model consists of a path integration mechanism, reward-modulated global learning, random search, and action selection. The path integration mechanism integrates compass and odometric cues to compute a vectorial representation of the agent's current location as neural activity patterns in circular arrays. A reward-modulated learning rule enables the acquisition of vector memories by associating the local food reward with the path integration state. A motor output is computed based on the combination of vector memories and random exploration. In simulation, we show that the neural mechanisms enable robust homing and localization, even in the presence of external sensory noise. The proposed learning rules lead to goal-directed navigation and route formation performed under realistic conditions. Consequently, we provide a novel approach for vector learning and navigation in a simulated, situated agent linking behavioral observations to their possible underlying neural substrates.

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.

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.

MPI CyberMotion Simulator: implementation of a novel motion simulator to investigate multisensory path integration in three dimensions.

PubMed

Barnett-Cowan, Michael; Meilinger, Tobias; Vidal, Manuel; Teufel, Harald; Bülthoff, Heinrich H

2012-05-10

Path integration is a process in which self-motion is integrated over time to obtain an estimate of one's current position relative to a starting point (1). Humans can do path integration based exclusively on visual (2-3), auditory (4), or inertial cues (5). However, with multiple cues present, inertial cues - particularly kinaesthetic - seem to dominate (6-7). In the absence of vision, humans tend to overestimate short distances (<5 m) and turning angles (<30°), but underestimate longer ones (5). Movement through physical space therefore does not seem to be accurately represented by the brain. Extensive work has been done on evaluating path integration in the horizontal plane, but little is known about vertical movement (see (3) for virtual movement from vision alone). One reason for this is that traditional motion simulators have a small range of motion restricted mainly to the horizontal plane. Here we take advantage of a motion simulator (8-9) with a large range of motion to assess whether path integration is similar between horizontal and vertical planes. The relative contributions of inertial and visual cues for path navigation were also assessed. 16 observers sat upright in a seat mounted to the flange of a modified KUKA anthropomorphic robot arm. Sensory information was manipulated by providing visual (optic flow, limited lifetime star field), vestibular-kinaesthetic (passive self motion with eyes closed), or visual and vestibular-kinaesthetic motion cues. Movement trajectories in the horizontal, sagittal and frontal planes consisted of two segment lengths (1st: 0.4 m, 2nd: 1 m; ±0.24 m/s(2) peak acceleration). The angle of the two segments was either 45° or 90°. Observers pointed back to their origin by moving an arrow that was superimposed on an avatar presented on the screen. Observers were more likely to underestimate angle size for movement in the horizontal plane compared to the vertical planes. In the frontal plane observers were more likely to overestimate angle size while there was no such bias in the sagittal plane. Finally, observers responded slower when answering based on vestibular-kinaesthetic information alone. Human path integration based on vestibular-kinaesthetic information alone thus takes longer than when visual information is present. That pointing is consistent with underestimating and overestimating the angle one has moved through in the horizontal and vertical planes respectively, suggests that the neural representation of self-motion through space is non-symmetrical which may relate to the fact that humans experience movement mostly within the horizontal plane.

Cockpit simulation study of use of flight path angle for instrument approaches

NASA Technical Reports Server (NTRS)

Hanisch, B.; Ernst, H.; Johnston, R.

1981-01-01

The results of a piloted simulation experiment to evaluate the effect of integrating flight path angle information into a typical transport electronic attitude director indicator display format for flight director instrument landing system approaches are presented. Three electronic display formats are evaluated during 3 deg straight-in approaches with wind shear and turbulence conditions. Flight path tracking data and pilot subjective comments are analyzed with regard to the pilot's tracking performance and workload for all three display formats.

Architectural constraints are a major factor reducing path integration accuracy in the rat head direction cell system.

PubMed

Page, Hector J I; Walters, Daniel; Stringer, Simon M

2015-01-01

Head direction cells fire to signal the direction in which an animal's head is pointing. They are able to track head direction using only internally-derived information (path integration)In this simulation study we investigate the factors that affect path integration accuracy. Specifically, two major limiting factors are identified: rise time, the time after stimulation it takes for a neuron to start firing, and the presence of symmetric non-offset within-layer recurrent collateral connectivity. On the basis of the latter, the important prediction is made that head direction cell regions directly involved in path integration will not contain this type of connectivity; giving a theoretical explanation for architectural observations. Increased neuronal rise time is found to slow path integration, and the slowing effect for a given rise time is found to be more severe in the context of short conduction delays. Further work is suggested on the basis of our findings, which represent a valuable contribution to understanding of the head direction cell system.

Aircraft Engine Systems

NASA Technical Reports Server (NTRS)

Veres, Joseph

2001-01-01

This report outlines the detailed simulation of Aircraft Turbofan Engine. The objectives were to develop a detailed flow model of a full turbofan engine that runs on parallel workstation clusters overnight and to develop an integrated system of codes for combustor design and analysis to enable significant reduction in design time and cost. The model will initially simulate the 3-D flow in the primary flow path including the flow and chemistry in the combustor, and ultimately result in a multidisciplinary model of the engine. The overnight 3-D simulation capability of the primary flow path in a complete engine will enable significant reduction in the design and development time of gas turbine engines. In addition, the NPSS (Numerical Propulsion System Simulation) multidisciplinary integration and analysis are discussed.

A Framework for Simulation of Aircraft Flyover Noise Through a Non-Standard Atmosphere

NASA Technical Reports Server (NTRS)

Arntzen, Michael; Rizzi, Stephen A.; Visser, Hendrikus G.; Simons, Dick G.

2012-01-01

This paper describes a new framework for the simulation of aircraft flyover noise through a non-standard atmosphere. Central to the framework is a ray-tracing algorithm which defines multiple curved propagation paths, if the atmosphere allows, between the moving source and listener. Because each path has a different emission angle, synthesis of the sound at the source must be performed independently for each path. The time delay, spreading loss and absorption (ground and atmosphere) are integrated along each path, and applied to each synthesized aircraft noise source to simulate a flyover. A final step assigns each resulting signal to its corresponding receiver angle for the simulation of a flyover in a virtual reality environment. Spectrograms of the results from a straight path and a curved path modeling assumption are shown. When the aircraft is at close range, the straight path results are valid. Differences appear especially when the source is relatively far away at shallow elevation angles. These differences, however, are not significant in common sound metrics. While the framework used in this work performs off-line processing, it is conducive to real-time implementation.

Real-time path planning and autonomous control for helicopter autorotation

NASA Astrophysics Data System (ADS)

Yomchinda, Thanan

Autorotation is a descending maneuver that can be used to recover helicopters in the event of total loss of engine power; however it is an extremely difficult and complex maneuver. The objective of this work is to develop a real-time system which provides full autonomous control for autorotation landing of helicopters. The work includes the development of an autorotation path planning method and integration of the path planner with a primary flight control system. The trajectory is divided into three parts: entry, descent and flare. Three different optimization algorithms are used to generate trajectories for each of these segments. The primary flight control is designed using a linear dynamic inversion control scheme, and a path following control law is developed to track the autorotation trajectories. Details of the path planning algorithm, trajectory following control law, and autonomous autorotation system implementation are presented. The integrated system is demonstrated in real-time high fidelity simulations. Results indicate feasibility of the capability of the algorithms to operate in real-time and of the integrated systems ability to provide safe autorotation landings. Preliminary simulations of autonomous autorotation on a small UAV are presented which will lead to a final hardware demonstration of the algorithms.

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.

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.

Path integration of head direction: updating a packet of neural activity at the correct speed using neuronal time constants.

PubMed

Walters, D M; Stringer, S M

2010-07-01

A key question in understanding the neural basis of path integration is how individual, spatially responsive, neurons may self-organize into networks that can, through learning, integrate velocity signals to update a continuous representation of location within an environment. It is of vital importance that this internal representation of position is updated at the correct speed, and in real time, to accurately reflect the motion of the animal. In this article, we present a biologically plausible model of velocity path integration of head direction that can solve this problem using neuronal time constants to effect natural time delays, over which associations can be learned through associative Hebbian learning rules. The model comprises a linked continuous attractor network and competitive network. In simulation, we show that the same model is able to learn two different speeds of rotation when implemented with two different values for the time constant, and without the need to alter any other model parameters. The proposed model could be extended to path integration of place in the environment, and path integration of spatial view.

Combination of the pair density approximation and the Takahashi–Imada approximation for path integral Monte Carlo simulations

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

Zillich, Robert E., E-mail: robert.zillich@jku.at

2015-11-15

We construct an accurate imaginary time propagator for path integral Monte Carlo simulations for heterogeneous systems consisting of a mixture of atoms and molecules. We combine the pair density approximation, which is highly accurate but feasible only for the isotropic interactions between atoms, with the Takahashi–Imada approximation for general interactions. We present finite temperature simulations results for energy and structure of molecules–helium clusters X{sup 4}He{sub 20} (X=HCCH and LiH) which show a marked improvement over the Trotter approximation which has a 2nd-order time step bias. We show that the 4th-order corrections of the Takahashi–Imada approximation can also be applied perturbativelymore » to a 2nd-order simulation.« less

Computing the total atmospheric refraction for real-time optical imaging sensor simulation

NASA Astrophysics Data System (ADS)

Olson, Richard F.

2015-05-01

Fast and accurate computation of light path deviation due to atmospheric refraction is an important requirement for real-time simulation of optical imaging sensor systems. A large body of existing literature covers various methods for application of Snell's Law to the light path ray tracing problem. This paper provides a discussion of the adaptation to real time simulation of atmospheric refraction ray tracing techniques used in mid-1980's LOWTRAN releases. The refraction ray trace algorithm published in a LOWTRAN-6 technical report by Kneizys (et. al.) has been coded in MATLAB for development, and in C-language for simulation use. To this published algorithm we have added tuning parameters for variable path segment lengths, and extensions for Earth grazing and exoatmospheric "near Earth" ray paths. Model atmosphere properties used to exercise the refraction algorithm were obtained from tables published in another LOWTRAN-6 related report. The LOWTRAN-6 based refraction model is applicable to atmospheric propagation at wavelengths in the IR and visible bands of the electromagnetic spectrum. It has been used during the past two years by engineers at the U.S. Army Aviation and Missile Research, Development and Engineering Center (AMRDEC) in support of several advanced imaging sensor simulations. Recently, a faster (but sufficiently accurate) method using Gauss-Chebyshev Quadrature integration for evaluating the refraction integral was adopted.

Quantum Mechanics, Path Integrals and Option Pricing:. Reducing the Complexity of Finance

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.; Corianò, Claudio; Srikant, Marakani

2003-04-01

Quantum Finance represents the synthesis of the techniques of quantum theory (quantum mechanics and quantum field theory) to theoretical and applied finance. After a brief overview of the connection between these fields, we illustrate some of the methods of lattice simulations of path integrals for the pricing of options. The ideas are sketched out for simple models, such as the Black-Scholes model, where analytical and numerical results are compared. Application of the method to nonlinear systems is also briefly overviewed. More general models, for exotic or path-dependent options are discussed.

Path-integral and Ornstein-Zernike study of quantum fluid structures on the crystallization line

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

Sesé, Luis M., E-mail: msese@ccia.uned.es

2016-03-07

Liquid neon, liquid para-hydrogen, and the quantum hard-sphere fluid are studied with path integral Monte Carlo simulations and the Ornstein-Zernike pair equation on their respective crystallization lines. The results cover the whole sets of structures in the r-space and the k-space and, for completeness, the internal energies, pressures and isothermal compressibilities. Comparison with experiment is made wherever possible, and the possibilities of establishing k-space criteria for quantum crystallization based on the path-integral centroids are discussed. In this regard, the results show that the centroid structure factor contains two significant parameters related to its main peak features (amplitude and shape) thatmore » can be useful to characterize freezing.« less

Data assimilation using a GPU accelerated path integral Monte Carlo approach

NASA Astrophysics Data System (ADS)

Quinn, John C.; Abarbanel, Henry D. I.

2011-09-01

The answers to data assimilation questions can be expressed as path integrals over all possible state and parameter histories. We show how these path integrals can be evaluated numerically using a Markov Chain Monte Carlo method designed to run in parallel on a graphics processing unit (GPU). We demonstrate the application of the method to an example with a transmembrane voltage time series of a simulated neuron as an input, and using a Hodgkin-Huxley neuron model. By taking advantage of GPU computing, we gain a parallel speedup factor of up to about 300, compared to an equivalent serial computation on a CPU, with performance increasing as the length of the observation time used for data assimilation increases.

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

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.

CONFIG: Integrated engineering of systems and their operation

NASA Technical Reports Server (NTRS)

Malin, Jane T.; Ryan, Dan; Fleming, Land

1994-01-01

This article discusses CONFIG 3, a prototype software tool that supports integrated conceptual design evaluation from early in the product life cycle, by supporting isolated or integrated modeling, simulation, and analysis of the function, structure, behavior, failures and operations of system designs. Integration and reuse of models is supported in an object-oriented environment providing capabilities for graph analysis and discrete event simulation. CONFIG supports integration among diverse modeling approaches (component view, configuration or flow path view, and procedure view) and diverse simulation and analysis approaches. CONFIG is designed to support integrated engineering in diverse design domains, including mechanical and electro-mechanical systems, distributed computer systems, and chemical processing and transport systems.

On processed splitting methods and high-order actions in path-integral Monte Carlo simulations.

PubMed

Casas, Fernando

2010-10-21

Processed splitting methods are particularly well adapted to carry out path-integral Monte Carlo (PIMC) simulations: since one is mainly interested in estimating traces of operators, only the kernel of the method is necessary to approximate the thermal density matrix. Unfortunately, they suffer the same drawback as standard, nonprocessed integrators: kernels of effective order greater than two necessarily involve some negative coefficients. This problem can be circumvented, however, by incorporating modified potentials into the composition, thus rendering schemes of higher effective order. In this work we analyze a family of fourth-order schemes recently proposed in the PIMC setting, paying special attention to their linear stability properties, and justify their observed behavior in practice. We also propose a new fourth-order scheme requiring the same computational cost but with an enlarged stability interval.

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.

Path integration guided with a quality map for shape reconstruction in the fringe reflection technique

NASA Astrophysics Data System (ADS)

Jing, Xiaoli; Cheng, Haobo; Wen, Yongfu

2018-04-01

A new local integration algorithm called quality map path integration (QMPI) is reported for shape reconstruction in the fringe reflection technique. A quality map is proposed to evaluate the quality of gradient data locally, and functions as a guideline for the integrated path. The presented method can be employed in wavefront estimation from its slopes over the general shaped surface with slope noise equivalent to that in practical measurements. Moreover, QMPI is much better at handling the slope data with local noise, which may be caused by the irregular shapes of the surface under test. The performance of QMPI is discussed by simulations and experiment. It is shown that QMPI not only improves the accuracy of local integration, but can also be easily implemented with no iteration compared to Southwell zonal reconstruction (SZR). From an engineering point-of-view, the proposed method may also provide an efficient and stable approach for different shapes with high-precise demand.

Propagation Diagnostic Simulations Using High-Resolution Equatorial Plasma Bubble Simulations

NASA Astrophysics Data System (ADS)

Rino, C. L.; Carrano, C. S.; Yokoyama, T.

2017-12-01

In a recent paper, under review, equatorial-plasma-bubble (EPB) simulations were used to conduct a comparative analysis of the EPB spectra characteristics with high-resolution in-situ measurements from the C/NOFS satellite. EPB realizations sampled in planes perpendicular to magnetic field lines provided well-defined EPB structure at altitudes penetrating both high and low-density regions. The average C/NOFS structure in highly disturbed regions showed nearly identical two-component inverse-power-law spectral characteristics as the measured EPB structure. This paper describes the results of PWE simulations using the same two-dimensional cross-field EPB realizations. New Irregularity Parameter Estimation (IPE) diagnostics, which are based on two-dimensional equivalent-phase-screen theory [A theory of scintillation for two-component power law irregularity spectra: Overview and numerical results, by Charles Carrano and Charles Rino, DOI: 10.1002/2015RS005903], have been successfully applied to extract two-component inverse-power-law parameters from measured intensity spectra. The EPB simulations [Low and Midlatitude Ionospheric Plasma DensityIrregularities and Their Effects on Geomagnetic Field, by Tatsuhiro Yokoyama and Claudia Stolle, DOI 10.1007/s11214-016-0295-7] have sufficient resolution to populate the structure scales (tens of km to hundreds of meters) that cause strong scintillation at GPS frequencies. The simulations provide an ideal geometry whereby the ramifications of varying structure along the propagation path can be investigated. It is well known path-integrated one-dimensional spectra increase the one-dimensional index by one. The relation requires decorrelation along the propagation path. Correlated structure would be interpreted as stochastic total-electron-content (TEC). The simulations are performed with unmodified structure. Because the EPB structure is confined to the central region of the sample planes, edge effects are minimized. Consequently, the propagated signal phase can be comparted to path-integrated phase for evaluating TEC extraction. Only the frequency dependence of phase scintillation distinguishes phase scintillation. The simulations allow scale-dependent exploration of remote-sensing diagnostics.

Path integral approach to closed-form option pricing formulas with applications to stochastic volatility and interest rate models

NASA Astrophysics Data System (ADS)

Lemmens, D.; Wouters, M.; Tempere, J.; Foulon, S.

2008-07-01

We present a path integral method to derive closed-form solutions for option prices in a stochastic volatility model. The method is explained in detail for the pricing of a plain vanilla option. The flexibility of our approach is demonstrated by extending the realm of closed-form option price formulas to the case where both the volatility and interest rates are stochastic. This flexibility is promising for the treatment of exotic options. Our analytical formulas are tested with numerical Monte Carlo simulations.

Off-line robot programming and graphical verification of path planning

NASA Technical Reports Server (NTRS)

Tonkay, Gregory L.

1989-01-01

The objective of this project was to develop or specify an integrated environment for off-line programming, graphical path verification, and debugging for robotic systems. Two alternatives were compared. The first was the integration of the ASEA Off-line Programming package with ROBSIM, a robotic simulation program. The second alternative was the purchase of the commercial product IGRIP. The needs of the RADL (Robotics Applications Development Laboratory) were explored and the alternatives were evaluated based on these needs. As a result, IGRIP was proposed as the best solution to the problem.

Spectroscopic fingerprints of toroidal nuclear quantum delocalization via ab initio path integral simulations.

PubMed

Schütt, Ole; Sebastiani, Daniel

2013-04-05

We investigate the quantum-mechanical delocalization of hydrogen in rotational symmetric molecular systems. To this purpose, we perform ab initio path integral molecular dynamics simulations of a methanol molecule to characterize the quantum properties of hydrogen atoms in a representative system by means of their real-space and momentum-space densities. In particular, we compute the spherically averaged momentum distribution n(k) and the pseudoangular momentum distribution n(kθ). We interpret our results by comparing them to path integral samplings of a bare proton in an ideal torus potential. We find that the hydroxyl hydrogen exhibits a toroidal delocalization, which leads to characteristic fingerprints in the line shapes of the momentum distributions. We can describe these specific spectroscopic patterns quantitatively and compute their onset as a function of temperature and potential energy landscape. The delocalization patterns in the projected momentum distribution provide a promising computational tool to address the intriguing phenomenon of quantum delocalization in condensed matter and its spectroscopic characterization. As the momentum distribution n(k) is also accessible through Nuclear Compton Scattering experiments, our results will help to interpret and understand future measurements more thoroughly. Copyright © 2012 Wiley Periodicals, Inc.

Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations.

PubMed

Huang, Jing; Buchowiecki, Marcin; Nagy, Tibor; Vaníček, Jiří; Meuwly, Markus

2014-01-07

The primary H/D kinetic isotope effect on the intramolecular proton transfer in malonaldehyde is determined from quantum instanton path integral Monte Carlo simulations on a fully dimensional and validated potential energy surface for temperatures between 250 and 1500 K. Our calculations, based on thermodynamic integration with respect to the mass of the transferring particle, are significantly accelerated by the direct evaluation of the kinetic isotope effect instead of computing it as a ratio of two rate constants. At room temperature, the KIE from the present simulations is 5.2 ± 0.4. The KIE is found to vary considerably as a function of temperature and the low-T behaviour is dominated by the fact that the free energy derivative in the reactant state increases more rapidly than in the transition state. Detailed analysis of the various contributions to the quantum rate constant together with estimates for rates from conventional transition state theory and from periodic orbit theory suggest that the KIE in malonaldehyde is dominated by zero point energy effects and that tunneling plays a minor role at room temperature.

Piloted Evaluation of an Integrated Methodology for Propulsion and Airframe Control Design

NASA Technical Reports Server (NTRS)

Bright, Michelle M.; Simon, Donald L.; Garg, Sanjay; Mattern, Duane L.; Ranaudo, Richard J.; Odonoghue, Dennis P.

1994-01-01

An integrated methodology for propulsion and airframe control has been developed and evaluated for a Short Take-Off Vertical Landing (STOVL) aircraft using a fixed base flight simulator at NASA Lewis Research Center. For this evaluation the flight simulator is configured for transition flight using a STOVL aircraft model, a full nonlinear turbofan engine model, simulated cockpit and displays, and pilot effectors. The paper provides a brief description of the simulation models, the flight simulation environment, the displays and symbology, the integrated control design, and the piloted tasks used for control design evaluation. In the simulation, the pilots successfully completed typical transition phase tasks such as combined constant deceleration with flight path tracking, and constant acceleration wave-off maneuvers. The pilot comments of the integrated system performance and the display symbology are discussed and analyzed to identify potential areas of improvement.

Simulating biochemical physics with computers: 1. Enzyme catalysis by phosphotriesterase and phosphodiesterase; 2. Integration-free path-integral method for quantum-statistical calculations

NASA Astrophysics Data System (ADS)

Wong, Kin-Yiu

We have simulated two enzymatic reactions with molecular dynamics (MD) and combined quantum mechanical/molecular mechanical (QM/MM) techniques. One reaction is the hydrolysis of the insecticide paraoxon catalyzed by phosphotriesterase (PTE). PTE is a bioremediation candidate for environments contaminated by toxic nerve gases (e.g., sarin) or pesticides. Based on the potential of mean force (PMF) and the structural changes of the active site during the catalysis, we propose a revised reaction mechanism for PTE. Another reaction is the hydrolysis of the second-messenger cyclic adenosine 3'-5'-monophosphate (cAMP) catalyzed by phosphodiesterase (PDE). Cyclicnucleotide PDE is a vital protein in signal-transduction pathways and thus a popular target for inhibition by drugs (e.g., ViagraRTM). A two-dimensional (2-D) free-energy profile has been generated showing that the catalysis by PDE proceeds in a two-step SN2-type mechanism. Furthermore, to characterize a chemical reaction mechanism in experiment, a direct probe is measuring kinetic isotope effects (KIEs). KIEs primarily arise from internuclear quantum-statistical effects, e.g., quantum tunneling and quantization of vibration. To systematically incorporate the quantum-statistical effects during MD simulations, we have developed an automated integration-free path-integral (AIF-PI) method based on Kleinert's variational perturbation theory for the centroid density of Feynman's path integral. Using this analytic method, we have performed ab initio pathintegral calculations to study the origin of KIEs on several series of proton-transfer reactions from carboxylic acids to aryl substituted alpha-methoxystyrenes in water. In addition, we also demonstrate that the AIF-PI method can be used to systematically compute the exact value of zero-point energy (beyond the harmonic approximation) by simply minimizing the centroid effective potential.

Elevated temperature crack growth

NASA Technical Reports Server (NTRS)

Kim, K. S.; Vanstone, R. H.

1992-01-01

The purpose of this program was to extend the work performed in the base program (CR 182247) into the regime of time-dependent crack growth under isothermal and thermal mechanical fatigue (TMF) loading, where creep deformation also influences the crack growth behavior. The investigation was performed in a two-year, six-task, combined experimental and analytical program. The path-independent integrals for application to time-dependent crack growth were critically reviewed. The crack growth was simulated using a finite element method. The path-independent integrals were computed from the results of finite-element analyses. The ability of these integrals to correlate experimental crack growth data were evaluated under various loading and temperature conditions. The results indicate that some of these integrals are viable parameters for crack growth prediction at elevated temperatures.

Development of a new integrated local trajectory planning and tracking control framework for autonomous ground vehicles

NASA Astrophysics Data System (ADS)

Li, Xiaohui; Sun, Zhenping; Cao, Dongpu; Liu, Daxue; He, Hangen

2017-03-01

This study proposes a novel integrated local trajectory planning and tracking control (ILTPTC) framework for autonomous vehicles driving along a reference path with obstacles avoidance. For this ILTPTC framework, an efficient state-space sampling-based trajectory planning scheme is employed to smoothly follow the reference path. A model-based predictive path generation algorithm is applied to produce a set of smooth and kinematically-feasible paths connecting the initial state with the sampling terminal states. A velocity control law is then designed to assign a speed value at each of the points along the generated paths. An objective function considering both safety and comfort performance is carefully formulated for assessing the generated trajectories and selecting the optimal one. For accurately tracking the optimal trajectory while overcoming external disturbances and model uncertainties, a combined feedforward and feedback controller is developed. Both simulation analyses and vehicle testing are performed to verify the effectiveness of the proposed ILTPTC framework, and future research is also briefly discussed.

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.

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

Agarwal, Animesh, E-mail: animesh@zedat.fu-berlin.de; Delle Site, Luigi, E-mail: dellesite@fu-berlin.de

Quantum effects due to the spatial delocalization of light atoms are treated in molecular simulation via the path integral technique. Among several methods, Path Integral (PI) Molecular Dynamics (MD) is nowadays a powerful tool to investigate properties induced by spatial delocalization of atoms; however, computationally this technique is very demanding. The above mentioned limitation implies the restriction of PIMD applications to relatively small systems and short time scales. One of the possible solutions to overcome size and time limitation is to introduce PIMD algorithms into the Adaptive Resolution Simulation Scheme (AdResS). AdResS requires a relatively small region treated at pathmore » integral level and embeds it into a large molecular reservoir consisting of generic spherical coarse grained molecules. It was previously shown that the realization of the idea above, at a simple level, produced reasonable results for toy systems or simple/test systems like liquid parahydrogen. Encouraged by previous results, in this paper, we show the simulation of liquid water at room conditions where AdResS, in its latest and more accurate Grand-Canonical-like version (GC-AdResS), is merged with two of the most relevant PIMD techniques available in the literature. The comparison of our results with those reported in the literature and/or with those obtained from full PIMD simulations shows a highly satisfactory agreement.« less

NVIDIA OptiX ray-tracing engine as a new tool for modelling medical imaging systems

NASA Astrophysics Data System (ADS)

Pietrzak, Jakub; Kacperski, Krzysztof; Cieślar, Marek

2015-03-01

The most accurate technique to model the X- and gamma radiation path through a numerically defined object is the Monte Carlo simulation which follows single photons according to their interaction probabilities. A simplified and much faster approach, which just integrates total interaction probabilities along selected paths, is known as ray tracing. Both techniques are used in medical imaging for simulating real imaging systems and as projectors required in iterative tomographic reconstruction algorithms. These approaches are ready for massive parallel implementation e.g. on Graphics Processing Units (GPU), which can greatly accelerate the computation time at a relatively low cost. In this paper we describe the application of the NVIDIA OptiX ray-tracing engine, popular in professional graphics and rendering applications, as a new powerful tool for X- and gamma ray-tracing in medical imaging. It allows the implementation of a variety of physical interactions of rays with pixel-, mesh- or nurbs-based objects, and recording any required quantities, like path integrals, interaction sites, deposited energies, and others. Using the OptiX engine we have implemented a code for rapid Monte Carlo simulations of Single Photon Emission Computed Tomography (SPECT) imaging, as well as the ray-tracing projector, which can be used in reconstruction algorithms. The engine generates efficient, scalable and optimized GPU code, ready to run on multi GPU heterogeneous systems. We have compared the results our simulations with the GATE package. With the OptiX engine the computation time of a Monte Carlo simulation can be reduced from days to minutes.

MOD3D: a model for incorporating MODTRAN radiative transfer into 3D simulations

NASA Astrophysics Data System (ADS)

Berk, Alexander; Anderson, Gail P.; Gossage, Brett N.

2001-08-01

MOD3D, a rapid and accurate radiative transport algorithm, is being developed for application to 3D simulations. MOD3D couples to optical property databases generated by the MODTRAN4 Correlated-k (CK) band model algorithm. The Beer's Law dependence of the CK algorithm provides for proper coupling of illumination and line-of-sight paths. Full 3D spatial effects are modeled by scaling and interpolating optical data to local conditions. A C++ version of MOD3D has been integrated into JMASS for calculation of path transmittances, thermal emission and single scatter solar radiation. Results from initial validation efforts are presented.

Analysis of water flow paths: methodology and example calculations for a potential geological repository in Sweden.

PubMed

Werner, Kent; Bosson, Emma; Berglund, Sten

2006-12-01

Safety assessment related to the siting of a geological repository for spent nuclear fuel deep in the bedrock requires identification of potential flow paths and the associated travel times for radionuclides originating at repository depth. Using the Laxemar candidate site in Sweden as a case study, this paper describes modeling methodology, data integration, and the resulting water flow models, focusing on the Quaternary deposits and the upper 150 m of the bedrock. Example simulations identify flow paths to groundwater discharge areas and flow paths in the surface system. The majority of the simulated groundwater flow paths end up in the main surface waters and along the coastline, even though the particles used to trace the flow paths are introduced with a uniform spatial distribution at a relatively shallow depth. The calculated groundwater travel time, determining the time available for decay and retention of radionuclides, is on average longer to the coastal bays than to other biosphere objects at the site. Further, it is demonstrated how GIS-based modeling can be used to limit the number of surface flow paths that need to be characterized for safety assessment. Based on the results, the paper discusses an approach for coupling the present models to a model for groundwater flow in the deep bedrock.

Accelerated path-integral simulations using ring-polymer interpolation

NASA Astrophysics Data System (ADS)

Buxton, Samuel J.; Habershon, Scott

2017-12-01

Imaginary-time path-integral (PI) molecular simulations can be used to calculate exact quantum statistical mechanical properties for complex systems containing many interacting atoms and molecules. The limiting computational factor in a PI simulation is typically the evaluation of the potential energy surface (PES) and forces at each ring-polymer "bead"; for an n-bead ring-polymer, a PI simulation is typically n times greater than the corresponding classical simulation. To address the increased computational effort of PI simulations, several approaches have been developed recently, most notably based on the idea of ring-polymer contraction which exploits either the separation of the PES into short-range and long-range contributions or the availability of a computationally inexpensive PES which can be incorporated to effectively smooth the ring-polymer PES; neither approach is satisfactory in applications to systems modeled by PESs given by on-the-fly ab initio calculations. In this article, we describe a new method, ring-polymer interpolation (RPI), which can be used to accelerate PI simulations without any prior assumptions about the PES. In simulations of liquid water modeled by an empirical PES (or force field) under ambient conditions, where quantum effects are known to play a subtle role in influencing experimental observables such as radial distribution functions, we find that RPI can accurately reproduce the results of fully-converged PI simulations, albeit with far fewer PES evaluations. This approach therefore opens the possibility of large-scale PI simulations using ab initio PESs evaluated on-the-fly without the drawbacks of current methods.

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.

Thermal properties of graphene from path-integral simulations

NASA Astrophysics Data System (ADS)

Herrero, Carlos P.; Ramírez, Rafael

2018-03-01

Thermal properties of graphene monolayers are studied by path-integral molecular dynamics simulations, which take into account the quantization of vibrational modes in the crystalline membrane and allow one to consider anharmonic effects in these properties. This system was studied at temperatures in the range from 12 to 2000 K and zero external stress, by describing the interatomic interactions through the LCBOPII effective potential. We analyze the internal energy and specific heat and compare the results derived from the simulations with those yielded by a harmonic approximation for the vibrational modes. This approximation turns out to be rather precise up to temperatures of about 400 K. At higher temperatures, we observe an influence of the elastic energy due to the thermal expansion of the graphene sheet. Zero-point and thermal effects on the in-plane and "real" surface of graphene are discussed. The thermal expansion coefficient α of the real area is found to be positive at all temperatures, in contrast to the expansion coefficient αp of the in-plane area, which is negative at low temperatures and becomes positive for T ≳ 1000 K.

An evaluation of flight path formats head-up and head-down

NASA Technical Reports Server (NTRS)

Sexton, George A.; Moody, Laura E.; Evans, Joanne; Williams, Kenneth E.

1988-01-01

Flight path primary flight display formats were incorporated on head-up and head-down electronic displays and integrated into an Advanced Concepts Flight Simulator. Objective and subjective data were collected while ten airline pilots evaluated the formats by flying an approach and landing task under various ceiling, visibility and wind conditions. Deviations from referenced/commanded airspeed, horizontal track, vertical track and touchdown point were smaller using the head-up display (HUD) format than the head-down display (HDD) format, but not significantly smaller. Subjectively, the pilots overwhelmingly preferred (1) flight path formats over attitude formats used in current aircraft, and (2) the head-up presentation over the head-down, primarily because it eliminated the head-down to head-up transition during low visibility landing approaches. This report describes the simulator, the flight displays, the format evaluation, and the results of the objective and subjective data.

LDRD project final report : hybrid AI/cognitive tactical behavior framework for LVC.

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

Djordjevich, Donna D.; Xavier, Patrick Gordon; Brannon, Nathan Gregory

This Lab-Directed Research and Development (LDRD) sought to develop technology that enhances scenario construction speed, entity behavior robustness, and scalability in Live-Virtual-Constructive (LVC) simulation. We investigated issues in both simulation architecture and behavior modeling. We developed path-planning technology that improves the ability to express intent in the planning task while still permitting an efficient search algorithm. An LVC simulation demonstrated how this enables 'one-click' layout of squad tactical paths, as well as dynamic re-planning for simulated squads and for real and simulated mobile robots. We identified human response latencies that can be exploited in parallel/distributed architectures. We did an experimentalmore » study to determine where parallelization would be productive in Umbra-based force-on-force (FOF) simulations. We developed and implemented a data-driven simulation composition approach that solves entity class hierarchy issues and supports assurance of simulation fairness. Finally, we proposed a flexible framework to enable integration of multiple behavior modeling components that model working memory phenomena with different degrees of sophistication.« less

Stochastic Models for Laser Propagation in Atmospheric Turbulence.

NASA Astrophysics Data System (ADS)

Leland, Robert Patton

In this dissertation, stochastic models for laser propagation in atmospheric turbulence are considered. A review of the existing literature on laser propagation in the atmosphere and white noise theory is presented, with a view toward relating the white noise integral and Ito integral approaches. The laser beam intensity is considered as the solution to a random Schroedinger equation, or forward scattering equation. This model is formulated in a Hilbert space context as an abstract bilinear system with a multiplicative white noise input, as in the literature. The model is also modeled in the Banach space of Fresnel class functions to allow the plane wave case and the application of path integrals. Approximate solutions to the Schroedinger equation of the Trotter-Kato product form are shown to converge for each white noise sample path. The product forms are shown to be physical random variables, allowing an Ito integral representation. The corresponding Ito integrals are shown to converge in mean square, providing a white noise basis for the Stratonovich correction term associated with this equation. Product form solutions for Ornstein -Uhlenbeck process inputs were shown to converge in mean square as the input bandwidth was expanded. A digital simulation of laser propagation in strong turbulence was used to study properties of the beam. Empirical distributions for the irradiance function were estimated from simulated data, and the log-normal and Rice-Nakagami distributions predicted by the classical perturbation methods were seen to be inadequate. A gamma distribution fit the simulated irradiance distribution well in the vicinity of the boresight. Statistics of the beam were seen to converge rapidly as the bandwidth of an Ornstein-Uhlenbeck process was expanded to its white noise limit. Individual trajectories of the beam were presented to illustrate the distortion and bending of the beam due to turbulence. Feynman path integrals were used to calculate an approximate expression for the mean of the beam intensity without using the Markov, or white noise, assumption, and to relate local variations in the turbulence field to the behavior of the beam by means of two approximations.

Quad-rotor flight path energy optimization

NASA Astrophysics Data System (ADS)

Kemper, Edward

Quad-Rotor unmanned areal vehicles (UAVs) have been a popular area of research and development in the last decade, especially with the advent of affordable microcontrollers like the MSP 430 and the Raspberry Pi. Path-Energy Optimization is an area that is well developed for linear systems. In this thesis, this idea of path-energy optimization is extended to the nonlinear model of the Quad-rotor UAV. The classical optimization technique is adapted to the nonlinear model that is derived for the problem at hand, coming up with a set of partial differential equations and boundary value conditions to solve these equations. Then, different techniques to implement energy optimization algorithms are tested using simulations in Python. First, a purely nonlinear approach is used. This method is shown to be computationally intensive, with no practical solution available in a reasonable amount of time. Second, heuristic techniques to minimize the energy of the flight path are tested, using Ziegler-Nichols' proportional integral derivative (PID) controller tuning technique. Finally, a brute force look-up table based PID controller is used. Simulation results of the heuristic method show that both reliable control of the system and path-energy optimization are achieved in a reasonable amount of time.

Integral transforms of the quantum mechanical path integral: Hit function and path-averaged potential.

PubMed

Edwards, James P; Gerber, Urs; Schubert, Christian; Trejo, Maria Anabel; Weber, Axel

2018-04-01

We introduce two integral transforms of the quantum mechanical transition kernel that represent physical information about the path integral. These transforms can be interpreted as probability distributions on particle trajectories measuring respectively the relative contribution to the path integral from paths crossing a given spatial point (the hit function) and the likelihood of values of the line integral of the potential along a path in the ensemble (the path-averaged potential).

Integral transforms of the quantum mechanical path integral: Hit function and path-averaged potential

NASA Astrophysics Data System (ADS)

Edwards, James P.; Gerber, Urs; Schubert, Christian; Trejo, Maria Anabel; Weber, Axel

2018-04-01

We introduce two integral transforms of the quantum mechanical transition kernel that represent physical information about the path integral. These transforms can be interpreted as probability distributions on particle trajectories measuring respectively the relative contribution to the path integral from paths crossing a given spatial point (the hit function) and the likelihood of values of the line integral of the potential along a path in the ensemble (the path-averaged potential).

Homing by path integration when a locomotion trajectory crosses itself.

PubMed

Yamamoto, Naohide; Meléndez, Jayleen A; Menzies, Derek T

2014-01-01

Path integration is a process with which navigators derive their current position and orientation by integrating self-motion signals along a locomotion trajectory. It has been suggested that path integration becomes disproportionately erroneous when the trajectory crosses itself. However, there is a possibility that this previous finding was confounded by effects of the length of a traveled path and the amount of turns experienced along the path, two factors that are known to affect path integration performance. The present study was designed to investigate whether the crossover of a locomotion trajectory truly increases errors of path integration. In an experiment, blindfolded human navigators were guided along four paths that varied in their lengths and turns, and attempted to walk directly back to the beginning of the paths. Only one of the four paths contained a crossover. Results showed that errors yielded from the path containing the crossover were not always larger than those observed in other paths, and the errors were attributed solely to the effects of longer path lengths or greater degrees of turns. These results demonstrated that path crossover does not always cause significant disruption in path integration processes. Implications of the present findings for models of path integration are discussed.

Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials

NASA Astrophysics Data System (ADS)

Poltavsky, Igor; DiStasio, Robert A.; Tkatchenko, Alexandre

2018-03-01

Nuclear quantum effects (NQE), which include both zero-point motion and tunneling, exhibit quite an impressive range of influence over the equilibrium and dynamical properties of molecules and materials. In this work, we extend our recently proposed perturbed path-integral (PPI) approach for modeling NQE in molecular systems [I. Poltavsky and A. Tkatchenko, Chem. Sci. 7, 1368 (2016)], which successfully combines the advantages of thermodynamic perturbation theory with path-integral molecular dynamics (PIMD), in a number of important directions. First, we demonstrate the accuracy, performance, and general applicability of the PPI approach to both molecules and extended (condensed-phase) materials. Second, we derive a series of estimators within the PPI approach to enable calculations of structural properties such as radial distribution functions (RDFs) that exhibit rapid convergence with respect to the number of beads in the PIMD simulation. Finally, we introduce an effective nuclear temperature formalism within the framework of the PPI approach and demonstrate that such effective temperatures can be an extremely useful tool in quantitatively estimating the "quantumness" associated with different degrees of freedom in the system as well as providing a reliable quantitative assessment of the convergence of PIMD simulations. Since the PPI approach only requires the use of standard second-order imaginary-time PIMD simulations, these developments enable one to include a treatment of NQE in equilibrium thermodynamic properties (such as energies, heat capacities, and RDFs) with the accuracy of higher-order methods but at a fraction of the computational cost, thereby enabling first-principles modeling that simultaneously accounts for the quantum mechanical nature of both electrons and nuclei in large-scale molecules and materials.

On static triplet structures in fluids with quantum behavior.

PubMed

Sesé, Luis M

2018-03-14

The problem of the equilibrium triplet structures in fluids with quantum behavior is discussed. Theoretical questions of interest to the real space structures are addressed by studying the three types of structures that can be determined via path integrals (instantaneous, centroid, and total thermalized-continuous linear response). The cases of liquid para-H 2 and liquid neon on their crystallization lines are examined with path-integral Monte Carlo simulations, the focus being on the instantaneous and the centroid triplet functions (equilateral and isosceles configurations). To analyze the results further, two standard closures, Kirkwood superposition and Jackson-Feenberg convolution, are utilized. In addition, some pilot calculations with path integrals and closures of the instantaneous triplet structure factor of liquid para-H 2 are also carried out for the equilateral components. Triplet structural regularities connected to the pair radial structures are identified, a remarkable usefulness of the closures employed is observed (e.g., triplet spatial functions for medium-long distances, triplet structure factors for medium k wave numbers), and physical insight into the role of pair correlations near quantum crystallization is gained.

On static triplet structures in fluids with quantum behavior

NASA Astrophysics Data System (ADS)

Sesé, Luis M.

2018-03-01

The problem of the equilibrium triplet structures in fluids with quantum behavior is discussed. Theoretical questions of interest to the real space structures are addressed by studying the three types of structures that can be determined via path integrals (instantaneous, centroid, and total thermalized-continuous linear response). The cases of liquid para-H2 and liquid neon on their crystallization lines are examined with path-integral Monte Carlo simulations, the focus being on the instantaneous and the centroid triplet functions (equilateral and isosceles configurations). To analyze the results further, two standard closures, Kirkwood superposition and Jackson-Feenberg convolution, are utilized. In addition, some pilot calculations with path integrals and closures of the instantaneous triplet structure factor of liquid para-H2 are also carried out for the equilateral components. Triplet structural regularities connected to the pair radial structures are identified, a remarkable usefulness of the closures employed is observed (e.g., triplet spatial functions for medium-long distances, triplet structure factors for medium k wave numbers), and physical insight into the role of pair correlations near quantum crystallization is gained.

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.

Path-integral simulation of solids.

PubMed

Herrero, C P; Ramírez, R

2014-06-11

The path-integral formulation of the statistical mechanics of quantum many-body systems is described, with the purpose of introducing practical techniques for the simulation of solids. Monte Carlo and molecular dynamics methods for distinguishable quantum particles are presented, with particular attention to the isothermal-isobaric ensemble. Applications of these computational techniques to different types of solids are reviewed, including noble-gas solids (helium and heavier elements), group-IV materials (diamond and elemental semiconductors), and molecular solids (with emphasis on hydrogen and ice). Structural, vibrational, and thermodynamic properties of these materials are discussed. Applications also include point defects in solids (structure and diffusion), as well as nuclear quantum effects in solid surfaces and adsorbates. Different phenomena are discussed, as solid-to-solid and orientational phase transitions, rates of quantum processes, classical-to-quantum crossover, and various finite-temperature anharmonic effects (thermal expansion, isotopic effects, electron-phonon interactions). Nuclear quantum effects are most remarkable in the presence of light atoms, so that especial emphasis is laid on solids containing hydrogen as a constituent element or as an impurity.

Path-integral simulation of ice Ih: The effect of pressure

NASA Astrophysics Data System (ADS)

Herrero, Carlos P.; Ramírez, Rafael

2011-12-01

The effect of pressure on structural and thermodynamic properties of ice Ih has been studied by means of path-integral molecular dynamics simulations at temperatures between 50 and 300 K. Interatomic interactions were modeled by using the effective q-TIP4P/F potential for flexible water. Positive (compression) and negative (tension) pressures have been considered, which allowed us to approach the limits for the mechanical stability of this solid water phase. We have studied the pressure dependence of the crystal volume, bulk modulus, interatomic distances, atomic delocalization, and kinetic energy. The spinodal point at both negative and positive pressures is derived from the vanishing of the bulk modulus. For P<0, the spinodal pressure changes from -1.38 to - 0.73 GPa in the range from 50 to 300 K. At positive pressure the spinodal is associated with ice amorphization, and at low temperatures it is found to be between 1.1 and 1.3 GPa. Quantum nuclear effects cause a reduction of the metastability region of ice Ih.

Applications and requirements for real-time simulators in ground-test facilities

NASA Technical Reports Server (NTRS)

Arpasi, Dale J.; Blech, Richard A.

1986-01-01

This report relates simulator functions and capabilities to the operation of ground test facilities, in general. The potential benefits of having a simulator are described to aid in the selection of desired applications for a specific facility. Configuration options for integrating a simulator into the facility control system are discussed, and a logical approach to configuration selection based on desired applications is presented. The functional and data path requirements to support selected applications and configurations are defined. Finally, practical considerations for implementation (i.e., available hardware and costs) are discussed.

Augmenting two-dimensional hydrodynamic simulations with measured velocity data to identify flow paths as a function of depth on Upper St. Clair River in the Great Lakes basin

USGS Publications Warehouse

Holtschlag, D.J.; Koschik, J.A.

2005-01-01

Upper St. Clair River, which receives outflow from Lake Huron, is characterized by flow velocities that exceed 7 feet per second and significant channel curvature that creates complex flow patterns downstream from the Blue Water Bridge in the Port Huron, Michigan, and Sarnia, Ontario, area. Discrepancies were detected between depth-averaged velocities previously simulated by a two-dimensional (2D) hydrodynamic model and surface velocities determined from drifting buoy deployments. A detailed ADCP (acoustic Doppler current profiler) survey was done on Upper St. Clair River during July 1–3, 2003, to help resolve these discrepancies. As part of this study, a refined finite-element mesh of the hydrodynamic model used to identify source areas to public water intakes was developed for Upper St. Clair River. In addition, a numerical procedure was used to account for radial accelerations, which cause secondary flow patterns near channel bends. The refined model was recalibrated to better reproduce local velocities measured in the ADCP survey. ADCP data also were used to help resolve the remaining discrepancies between simulated and measured velocities and to describe variations in velocity with depth. Velocity data from ADCP surveys have significant local variability, and statistical processing is needed to compute reliable point estimates. In this study, velocity innovations were computed for seven depth layers posited within the river as the differences between measured and simulated velocities. For each layer, the spatial correlation of velocity innovations was characterized by use of variogram analysis. Results were used with kriging to compute expected innovations within each layer at applicable model nodes. Expected innovations were added to simulated velocities to form integrated velocities, which were used with reverse particle tracking to identify the expected flow path near a sewage outfall as a function of flow depth. Expected particle paths generated by use of the integrated velocities showed that surface velocities in the upper layers tended to originate nearer the Canadian shoreline than velocities near the channel bottom in the lower layers. Therefore, flow paths to U.S. public water intakes located on the river bottom are more likely to be in the United States than withdrawals near the water surface. Integrated velocities in the upper layers are generally consistent with the surface velocities indicated by drifting-buoy deployments. Information in the 2D hydrodynamic model and the ADCP measurements was insufficient to describe the vertical flow component. This limitation resulted in the inability to account for vertical movements on expected flow paths through Upper St. Clair River. A three dimensional hydrodynamic model would be needed to account for these effects.

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.

Integration of crosswell seismic data for simulating porosity in a heterogeneous carbonate aquifer

NASA Astrophysics Data System (ADS)

Emery, Xavier; Parra, Jorge

2013-11-01

A challenge for the geostatistical simulation of subsurface properties in mining, petroleum and groundwater applications is the integration of well logs and seismic measurements, which can provide information on geological heterogeneities at a wide range of scales. This paper presents a case study conducted at the Port Mayaca aquifer, located in western Martin County, Florida, in which it is of interest to simulate porosity, based on porosity logs at two wells and high-resolution crosswell seismic measurements of P-wave impedance. To this end, porosity and impedance are transformed into cross-correlated Gaussian random fields, using local transformations. The model parameters (transformation functions, mean values and correlation structure of the transformed fields) are inferred and checked against the data. Multiple realizations of porosity can then be constructed conditionally to the impedance information in the interwell region, which allow identifying one low-porosity structure and two to three flow units that connect the two wells, mapping heterogeneities within these units and visually assessing fluid paths in the aquifer. In particular, the results suggest that the paths in the lower flow units, formed by a network of heterogeneous conduits, are not as smooth as in the upper flow unit.

Multiple point statistical simulation using uncertain (soft) conditional data

NASA Astrophysics Data System (ADS)

Hansen, Thomas Mejer; Vu, Le Thanh; Mosegaard, Klaus; Cordua, Knud Skou

2018-05-01

Geostatistical simulation methods have been used to quantify spatial variability of reservoir models since the 80s. In the last two decades, state of the art simulation methods have changed from being based on covariance-based 2-point statistics to multiple-point statistics (MPS), that allow simulation of more realistic Earth-structures. In addition, increasing amounts of geo-information (geophysical, geological, etc.) from multiple sources are being collected. This pose the problem of integration of these different sources of information, such that decisions related to reservoir models can be taken on an as informed base as possible. In principle, though difficult in practice, this can be achieved using computationally expensive Monte Carlo methods. Here we investigate the use of sequential simulation based MPS simulation methods conditional to uncertain (soft) data, as a computational efficient alternative. First, it is demonstrated that current implementations of sequential simulation based on MPS (e.g. SNESIM, ENESIM and Direct Sampling) do not account properly for uncertain conditional information, due to a combination of using only co-located information, and a random simulation path. Then, we suggest two approaches that better account for the available uncertain information. The first make use of a preferential simulation path, where more informed model parameters are visited preferentially to less informed ones. The second approach involves using non co-located uncertain information. For different types of available data, these approaches are demonstrated to produce simulation results similar to those obtained by the general Monte Carlo based approach. These methods allow MPS simulation to condition properly to uncertain (soft) data, and hence provides a computationally attractive approach for integration of information about a reservoir model.

On the first crossing distributions in fractional Brownian motion and the mass function of dark matter haloes

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

Hiotelis, Nicos; Popolo, Antonino Del, E-mail: adelpopolo@oact.inaf.it, E-mail: hiotelis@ipta.demokritos.gr

We construct an integral equation for the first crossing distributions for fractional Brownian motion in the case of a constant barrier and we present an exact analytical solution. Additionally we present first crossing distributions derived by simulating paths from fractional Brownian motion. We compare the results of the analytical solutions with both those of simulations and those of some approximated solutions which have been used in the literature. Finally, we present multiplicity functions for dark matter structures resulting from our analytical approach and we compare with those resulting from N-body simulations. We show that the results of analytical solutions aremore » in good agreement with those of path simulations but differ significantly from those derived from approximated solutions. Additionally, multiplicity functions derived from fractional Brownian motion are poor fits of the those which result from N-body simulations. We also present comparisons with other models which are exist in the literature and we discuss different ways of improving the agreement between analytical results and N-body simulations.« less

Combining path integration and remembered landmarks when navigating without vision.

PubMed

Kalia, Amy A; Schrater, Paul R; Legge, Gordon E

2013-01-01

This study investigated the interaction between remembered landmark and path integration strategies for estimating current location when walking in an environment without vision. We asked whether observers navigating without vision only rely on path integration information to judge their location, or whether remembered landmarks also influence judgments. Participants estimated their location in a hallway after viewing a target (remembered landmark cue) and then walking blindfolded to the same or a conflicting location (path integration cue). We found that participants averaged remembered landmark and path integration information when they judged that both sources provided congruent information about location, which resulted in more precise estimates compared to estimates made with only path integration. In conclusion, humans integrate remembered landmarks and path integration in a gated fashion, dependent on the congruency of the information. Humans can flexibly combine information about remembered landmarks with path integration cues while navigating without visual information.

Combining Path Integration and Remembered Landmarks When Navigating without Vision

PubMed Central

Kalia, Amy A.; Schrater, Paul R.; Legge, Gordon E.

2013-01-01

This study investigated the interaction between remembered landmark and path integration strategies for estimating current location when walking in an environment without vision. We asked whether observers navigating without vision only rely on path integration information to judge their location, or whether remembered landmarks also influence judgments. Participants estimated their location in a hallway after viewing a target (remembered landmark cue) and then walking blindfolded to the same or a conflicting location (path integration cue). We found that participants averaged remembered landmark and path integration information when they judged that both sources provided congruent information about location, which resulted in more precise estimates compared to estimates made with only path integration. In conclusion, humans integrate remembered landmarks and path integration in a gated fashion, dependent on the congruency of the information. Humans can flexibly combine information about remembered landmarks with path integration cues while navigating without visual information. PMID:24039742

Cubature on Wiener Space: Pathwise Convergence

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

Bayer, Christian, E-mail: christian.bayer@wias-berlin.de; Friz, Peter K., E-mail: friz@math.tu-berlin.de

2013-04-15

Cubature on Wiener space (Lyons and Victoir in Proc. R. Soc. Lond. A 460(2041):169-198, 2004) provides a powerful alternative to Monte Carlo simulation for the integration of certain functionals on Wiener space. More specifically, and in the language of mathematical finance, cubature allows for fast computation of European option prices in generic diffusion models.We give a random walk interpretation of cubature and similar (e.g. the Ninomiya-Victoir) weak approximation schemes. By using rough path analysis, we are able to establish weak convergence for general path-dependent option prices.

Flying qualities criteria for GA single pilot IFR operations

NASA Technical Reports Server (NTRS)

Bar-Gill, A.

1982-01-01

The flying qualities criteria in general aviation (GA) to decrease accidents are discussed. The following in-flight research is discussed: (1) identification of key aerodynamic configurations; (2) implementation of an in-flight simulator; (3) mission matrix design; (4) experimental systems; (5) data reduction; (6) optimal flight path reconstruction. Some of the accomplished work is reported: an integrated flight testing and flight path reconstruction methodology was developd, high accuracy in trajectory estimation was achieved with an experimental setup, and a part of the flight test series was flown.

Information Extraction for System-Software Safety Analysis: Calendar Year 2007 Year-End Report

NASA Technical Reports Server (NTRS)

Malin, Jane T.

2008-01-01

This annual report describes work to integrate a set of tools to support early model-based analysis of failures and hazards due to system-software interactions. The tools perform and assist analysts in the following tasks: 1) extract model parts from text for architecture and safety/hazard models; 2) combine the parts with library information to develop the models for visualization and analysis; 3) perform graph analysis on the models to identify possible paths from hazard sources to vulnerable entities and functions, in nominal and anomalous system-software configurations; 4) perform discrete-time-based simulation on the models to investigate scenarios where these paths may play a role in failures and mishaps; and 5) identify resulting candidate scenarios for software integration testing. This paper describes new challenges in a NASA abort system case, and enhancements made to develop the integrated tool set.

Multi-Sensor Integration to Map Odor Distribution for the Detection of Chemical Sources.

PubMed

Gao, Xiang; Acar, Levent

2016-07-04

This paper addresses the problem of mapping odor distribution derived from a chemical source using multi-sensor integration and reasoning system design. Odor localization is the problem of finding the source of an odor or other volatile chemical. Most localization methods require a mobile vehicle to follow an odor plume along its entire path, which is time consuming and may be especially difficult in a cluttered environment. To solve both of the above challenges, this paper proposes a novel algorithm that combines data from odor and anemometer sensors, and combine sensors' data at different positions. Initially, a multi-sensor integration method, together with the path of airflow was used to map the pattern of odor particle movement. Then, more sensors are introduced at specific regions to determine the probable location of the odor source. Finally, the results of odor source location simulation and a real experiment are presented.

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.

Path integration: effect of curved path complexity and sensory system on blindfolded walking.

PubMed

Koutakis, Panagiotis; Mukherjee, Mukul; Vallabhajosula, Srikant; Blanke, Daniel J; Stergiou, Nicholas

2013-02-01

Path integration refers to the ability to integrate continuous information of the direction and distance traveled by the system relative to the origin. Previous studies have investigated path integration through blindfolded walking along simple paths such as straight line and triangles. However, limited knowledge exists regarding the role of path complexity in path integration. Moreover, little is known about how information from different sensory input systems (like vision and proprioception) contributes to accurate path integration. The purpose of the current study was to investigate how sensory information and curved path complexity affect path integration. Forty blindfolded participants had to accurately reproduce a curved path and return to the origin. They were divided into four groups that differed in the curved path, circle (simple) or figure-eight (complex), and received either visual (previously seen) or proprioceptive (previously guided) information about the path before they reproduced it. The dependent variables used were average trajectory error, walking speed, and distance traveled. The results indicated that (a) both groups that walked on a circular path and both groups that received visual information produced greater accuracy in reproducing the path. Moreover, the performance of the group that received proprioceptive information and later walked on a figure-eight path was less accurate than their corresponding circular group. The groups that had the visual information also walked faster compared to the group that had proprioceptive information. Results of the current study highlight the roles of different sensory inputs while performing blindfolded walking for path integration. Copyright © 2012 Elsevier B.V. All rights reserved.

Moving singularity creep crack growth analysis with the /Delta T/c and C/asterisk/ integrals. [path-independent vector and energy rate line integrals

NASA Technical Reports Server (NTRS)

Stonesifer, R. B.; Atluri, S. N.

1982-01-01

The physical meaning of (Delta T)c and its applicability to creep crack growth are reviewed. Numerical evaluation of (Delta T)c and C(asterisk) is discussed with results being given for compact specimen and strip geometries. A moving crack-tip singularity, creep crack growth simulation procedure is described and demonstrated. The results of several crack growth simulation analyses indicate that creep crack growth in 304 stainless steel occurs under essentially steady-state conditions. Based on this result, a simple methodology for predicting creep crack growth behavior is summarized.

UAS-Systems Integration, Validation, and Diagnostics Simulation Capability

NASA Technical Reports Server (NTRS)

Buttrill, Catherine W.; Verstynen, Harry A.

2014-01-01

As part of the Phase 1 efforts of NASA's UAS-in-the-NAS Project a task was initiated to explore the merits of developing a system simulation capability for UAS to address airworthiness certification requirements. The core of the capability would be a software representation of an unmanned vehicle, including all of the relevant avionics and flight control system components. The specific system elements could be replaced with hardware representations to provide Hardware-in-the-Loop (HWITL) test and evaluation capability. The UAS Systems Integration and Validation Laboratory (UAS-SIVL) was created to provide a UAS-systems integration, validation, and diagnostics hardware-in-the-loop simulation capability. This paper discusses how SIVL provides a robust and flexible simulation framework that permits the study of failure modes, effects, propagation paths, criticality, and mitigation strategies to help develop safety, reliability, and design data that can assist with the development of certification standards, means of compliance, and design best practices for civil UAS.

Spatial awareness comparisons between large-screen, integrated pictorial displays and conventional EFIS displays during simulated landing approaches

NASA Technical Reports Server (NTRS)

Parrish, Russell V.; Busquets, Anthony M.; Williams, Steven P.; Nold, Dean E.

1994-01-01

An extensive simulation study was performed to determine and compare the spatial awareness of commercial airline pilots on simulated landing approaches using conventional flight displays with their awareness using advanced pictorial 'pathway in the sky' displays. Sixteen commercial airline pilots repeatedly made simulated complex microwave landing system approaches to closely spaced parallel runways with an extremely short final segment. Scenarios involving conflicting traffic situation assessments and recoveries from flight path offset conditions were used to assess spatial awareness (own ship position relative the the desired flight route, the runway, and other traffic) with the various display formats. The situation assessment tools are presented, as well as the experimental designs and the results. The results demonstrate that the integrated pictorial displays substantially increase spatial awareness over conventional electronic flight information systems display formats.

Simulation of the fixed optical path difference of near infrared wind imaging interferometer

NASA Astrophysics Data System (ADS)

Rong, Piao; Zhang, Chunmin; Yan, Tingyu; Liu, Dongdong; Li, Yanfen

2017-02-01

As an important part of the earth, atmosphere plays a vital role in filtering the solar radiation, adjusting the temperature and organizing the water circulation and keeping human survival. The passive atmospheric wind measurement is based on the imaging interferometer technology and Doppler effect of electromagnetic wave. By using the wind imaging interferometer to get four interferograms of airglow emission lines, the atmospheric wind velocity, temperature, pressure and emission rate can be derived. Exploring the multi-functional and integrated innovation of detecting wind temperature, wind velocity and trace gas has become a research focus in the field. In the present paper, the impact factors of the fixed optical path difference(OPD) of near infrared wind imaging interferometer(NIWII) are analyzed and the optimum value of the fixed optical path difference is simulated, yielding the optimal results of the fixed optical path difference is 20 cm in near infrared wave band (the O2(a1Δg) airglow emission at 1.27 microns). This study aims at providing theoretical basis and technical support for the detection of stratosphere near infrared wind field and giving guidance for the design and development of near infrared wind imaging interferometer.

An algorithm to estimate unsteady and quasi-steady pressure fields from velocity field measurements.

PubMed

Dabiri, John O; Bose, Sanjeeb; Gemmell, Brad J; Colin, Sean P; Costello, John H

2014-02-01

We describe and characterize a method for estimating the pressure field corresponding to velocity field measurements such as those obtained by using particle image velocimetry. The pressure gradient is estimated from a time series of velocity fields for unsteady calculations or from a single velocity field for quasi-steady calculations. The corresponding pressure field is determined based on median polling of several integration paths through the pressure gradient field in order to reduce the effect of measurement errors that accumulate along individual integration paths. Integration paths are restricted to the nodes of the measured velocity field, thereby eliminating the need for measurement interpolation during this step and significantly reducing the computational cost of the algorithm relative to previous approaches. The method is validated by using numerically simulated flow past a stationary, two-dimensional bluff body and a computational model of a three-dimensional, self-propelled anguilliform swimmer to study the effects of spatial and temporal resolution, domain size, signal-to-noise ratio and out-of-plane effects. Particle image velocimetry measurements of a freely swimming jellyfish medusa and a freely swimming lamprey are analyzed using the method to demonstrate the efficacy of the approach when applied to empirical data.

Lattice Methods and the Nuclear Few- and Many-Body Problem

NASA Astrophysics Data System (ADS)

Lee, Dean

This chapter builds upon the review of lattice methods and effective field theory of the previous chapter. We begin with a brief overview of lattice calculations using chiral effective field theory and some recent applications. We then describe several methods for computing scattering on the lattice. After that we focus on the main goal, explaining the theory and algorithms relevant to lattice simulations of nuclear few- and many-body systems. We discuss the exact equivalence of four different lattice formalisms, the Grassmann path integral, transfer matrix operator, Grassmann path integral with auxiliary fields, and transfer matrix operator with auxiliary fields. Along with our analysis we include several coding examples and a number of exercises for the calculations of few- and many-body systems at leading order in chiral effective field theory.

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

Integrated stationary Ornstein-Uhlenbeck process, and double integral processes

NASA Astrophysics Data System (ADS)

Abundo, Mario; Pirozzi, Enrica

2018-03-01

We find a representation of the integral of the stationary Ornstein-Uhlenbeck (ISOU) process in terms of Brownian motion Bt; moreover, we show that, under certain conditions on the functions f and g , the double integral process (DIP) D(t) = ∫βt g(s) (∫αs f(u) dBu) ds can be thought as the integral of a suitable Gauss-Markov process. Some theoretical and application details are given, among them we provide a simulation formula based on that representation by which sample paths, probability densities and first passage times of the ISOU process are obtained; the first-passage times of the DIP are also studied.

Integrated Path Differential Absorption Lidar Optimizations Based on Pre-Analyzed Atmospheric Data for ASCENDS Mission Applications

NASA Technical Reports Server (NTRS)

Pliutau, Denis; Prasad, Narasimha S.

2012-01-01

In this paper a modeling method based on data reductions is investigated which includes pre analyzed MERRA atmospheric fields for quantitative estimates of uncertainties introduced in the integrated path differential absorption methods for the sensing of various molecules including CO2. This approach represents the extension of our existing lidar modeling framework previously developed and allows effective on- and offline wavelength optimizations and weighting function analysis to minimize the interference effects such as those due to temperature sensitivity and water vapor absorption. The new simulation methodology is different from the previous implementation in that it allows analysis of atmospheric effects over annual spans and the entire Earth coverage which was achieved due to the data reduction methods employed. The effectiveness of the proposed simulation approach is demonstrated with application to the mixing ratio retrievals for the future ASCENDS mission. Independent analysis of multiple accuracy limiting factors including the temperature, water vapor interferences, and selected system parameters is further used to identify favorable spectral regions as well as wavelength combinations facilitating the reduction in total errors in the retrieved XCO2 values.

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

Accurate path integration in continuous attractor network models of grid cells.

PubMed

Burak, Yoram; Fiete, Ila R

2009-02-01

Grid cells in the rat entorhinal cortex display strikingly regular firing responses to the animal's position in 2-D space and have been hypothesized to form the neural substrate for dead-reckoning. However, errors accumulate rapidly when velocity inputs are integrated in existing models of grid cell activity. To produce grid-cell-like responses, these models would require frequent resets triggered by external sensory cues. Such inadequacies, shared by various models, cast doubt on the dead-reckoning potential of the grid cell system. Here we focus on the question of accurate path integration, specifically in continuous attractor models of grid cell activity. We show, in contrast to previous models, that continuous attractor models can generate regular triangular grid responses, based on inputs that encode only the rat's velocity and heading direction. We consider the role of the network boundary in the integration performance of the network and show that both periodic and aperiodic networks are capable of accurate path integration, despite important differences in their attractor manifolds. We quantify the rate at which errors in the velocity integration accumulate as a function of network size and intrinsic noise within the network. With a plausible range of parameters and the inclusion of spike variability, our model networks can accurately integrate velocity inputs over a maximum of approximately 10-100 meters and approximately 1-10 minutes. These findings form a proof-of-concept that continuous attractor dynamics may underlie velocity integration in the dorsolateral medial entorhinal cortex. The simulations also generate pertinent upper bounds on the accuracy of integration that may be achieved by continuous attractor dynamics in the grid cell network. We suggest experiments to test the continuous attractor model and differentiate it from models in which single cells establish their responses independently of each other.

Rotational symmetric HMD with eye-tracking capability

NASA Astrophysics Data System (ADS)

Liu, Fangfang; Cheng, Dewen; Wang, Qiwei; Wang, Yongtian

2016-10-01

As an important auxiliary function of head-mounted displays (HMDs), eye tracking has an important role in the field of intelligent human-machine interaction. In this paper, an eye-tracking HMD system (ET-HMD) is designed based on the rotational symmetric system. The tracking principle in this paper is based on pupil-corneal reflection. The ET-HMD system comprises three optical paths for virtual display, infrared illumination, and eye tracking. The display optics is shared by three optical paths and consists of four spherical lenses. For the eye-tracking path, an extra imaging lens is added to match the image sensor and achieve eye tracking. The display optics provides users a 40° diagonal FOV with a ״ 0.61 OLED, the 19 mm eye clearance, and 10 mm exit pupil diameter. The eye-tracking path can capture 15 mm × 15 mm of the users' eyes. The average MTF is above 0.1 at 26 lp/mm for the display path, and exceeds 0.2 at 46 lp/mm for the eye-tracking path. Eye illumination is simulated using LightTools with an eye model and an 850 nm near-infrared LED (NIR-LED). The results of the simulation show that the illumination of the NIR-LED can cover the area of the eye model with the display optics that is sufficient for eye tracking. The integrated optical system HMDs with eye-tracking feature can help improve the HMD experience of users.

Reflectivity retrieval in a networked radar environment

NASA Astrophysics Data System (ADS)

Lim, Sanghun

Monitoring of precipitation using a high-frequency radar system such as X-band is becoming increasingly popular due to its lower cost compared to its counterpart at S-band. Networks of meteorological radar systems at higher frequencies are being pursued for targeted applications such as coverage over a city or a small basin. However, at higher frequencies, the impact of attenuation due to precipitation needs to be resolved for successful implementation. In this research, new attenuation correction algorithms are introduced to compensate the attenuation impact due to rain medium. In order to design X-band radar systems as well as evaluate algorithm development, it is useful to have simultaneous X-band observation with and without the impact of path attenuation. One way to obtain that data set is through theoretical models. Methodologies for generating realistic range profiles of radar variables at attenuating frequencies such as X-band for rain medium are presented here. Fundamental microphysical properties of precipitation, namely size and shape distribution information, are used to generate realistic profiles of X-band starting with S-band observations. Conditioning the simulation from S-band radar measurements maintains the natural distribution of microphysical parameters associated with rainfall. In this research, data taken by the CSU-CHILL radar and the National Center for Atmospheric Research S-POL radar are used to simulate X-band radar variables. Three procedures to simulate the radar variables at X-band and sample applications are presented. A new attenuation correction algorithm based on profiles of reflectivity, differential reflectivity, and differential propagation phase shift is presented. A solution for specific attenuation retrieval in rain medium is proposed that solves the integral equations for reflectivity and differential reflectivity with cumulative differential propagation phase shift constraint. The conventional rain profiling algorithms that connect reflectivity and specific attenuation can retrieve specific attenuation values along the radar path assuming a constant intercept parameter of the normalized drop size distribution. However, in convective storms, the drop size distribution parameters can have significant variation along the path. In this research, a dual-polarization rain profiling algorithm for horizontal-looking radars incorporating reflectivity as well as differential reflectivity profiles is developed. The dual-polarization rain profiling algorithm has been evaluated with X-band radar observations simulated from drop size distribution derived from high-resolution S-band measurements collected by the CSU-CHILL radar. The analysis shows that the dual-polarization rain profiling algorithm provides significant improvement over the current algorithms. A methodology for reflectivity and attenuation retrieval for rain medium in a networked radar environment is described. Electromagnetic waves backscattered from a common volume in networked radar systems are attenuated differently along the different paths. A solution for the specific attenuation distribution is proposed by solving the integral equation for reflectivity. The set of governing integral equations describing the backscatter and propagation of common resolution volume are solved simultaneously with constraints on total path attenuation. The proposed algorithm is evaluated based on simulated X-band radar observations synthesized from S-band measurements collected by the CSU-CHILL radar. Retrieved reflectivity and specific attenuation using the proposed method show good agreement with simulated reflectivity and specific attenuation.

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.

Fuzzy integral-based gaze control architecture incorporated with modified-univector field-based navigation for humanoid robots.

PubMed

Yoo, Jeong-Ki; Kim, Jong-Hwan

2012-02-01

When a humanoid robot moves in a dynamic environment, a simple process of planning and following a path may not guarantee competent performance for dynamic obstacle avoidance because the robot acquires limited information from the environment using a local vision sensor. Thus, it is essential to update its local map as frequently as possible to obtain more information through gaze control while walking. This paper proposes a fuzzy integral-based gaze control architecture incorporated with the modified-univector field-based navigation for humanoid robots. To determine the gaze direction, four criteria based on local map confidence, waypoint, self-localization, and obstacles, are defined along with their corresponding partial evaluation functions. Using the partial evaluation values and the degree of consideration for criteria, fuzzy integral is applied to each candidate gaze direction for global evaluation. For the effective dynamic obstacle avoidance, partial evaluation functions about self-localization error and surrounding obstacles are also used for generating virtual dynamic obstacle for the modified-univector field method which generates the path and velocity of robot toward the next waypoint. The proposed architecture is verified through the comparison with the conventional weighted sum-based approach with the simulations using a developed simulator for HanSaRam-IX (HSR-IX).

Symbology Development for General Aviation Synthetic Vision Primary Flight Displays for the Approach and Missed-Approach Modes of Flight

NASA Technical Reports Server (NTRS)

Bartolone, Anthony P.; Hughes, Monica F.; Wong, Douglas T.; Takallu, Mohammad A.

2004-01-01

Spatial disorientation induced by inadvertent flight into instrument meteorological conditions (IMC) continues to be a leading cause of fatal accidents in general aviation. The Synthetic Vision Systems General Aviation (SVS-GA) research element, an integral part of NASA s Aviation Safety and Security Program (AvSSP), is investigating a revolutionary display technology designed to mitigate low visibility events such as controlled flight into terrain (CFIT) and low-visibility loss of control (LVLoC). The integrated SVS Primary Flight Display (SVS-PFD) utilizes computer generated 3-dimensional imagery of the surrounding terrain augmented with flight path guidance symbology. This unique combination will provide GA pilots with an accurate representation of their environment and projection of their flight path, regardless of time of day or out-the-window (OTW) visibility. The initial Symbology Development for Head-Down Displays (SD-HDD) simulation experiment examined 16 display configurations on a centrally located high-resolution PFD installed in NASA s General Aviation Work Station (GAWS) flight simulator. The results of the experiment indicate that situation awareness (SA) can be enhanced without having a negative impact on flight technical error (FTE), by providing a general aviation pilot with an integrated SVS display to use when OTW visibility is obscured.

Path Integration on the Upper Half-Plane

NASA Astrophysics Data System (ADS)

Kubo, R.

1987-10-01

Feynman's path integral is considered on the Poincaré upper half-plane. It is shown that the fundermental solution to the heat equation partial f/partial t=Delta_{H}f can be expressed in terms of a path integral. A simple relation between the path integral and the Selberg trace formula is discussed briefly.

Simulation and validation of concentrated subsurface lateral flow paths in an agricultural landscape

NASA Astrophysics Data System (ADS)

Zhu, Q.; Lin, H. S.

2009-08-01

The importance of soil water flow paths to the transport of nutrients and contaminants has long been recognized. However, effective means of detecting concentrated subsurface flow paths in a large landscape are still lacking. The flow direction and accumulation algorithm based on single-direction flow algorithm (D8) in GIS hydrologic modeling is a cost-effective way to simulate potential concentrated flow paths over a large area once relevant data are collected. This study tested the D8 algorithm for simulating concentrated lateral flow paths at three interfaces in soil profiles in a 19.5-ha agricultural landscape in central Pennsylvania, USA. These interfaces were (1) the interface between surface plowed layers of Ap1 and Ap2 horizons, (2) the interface with subsoil water-restricting clay layer where clay content increased to over 40%, and (3) the soil-bedrock interface. The simulated flow paths were validated through soil hydrologic monitoring, geophysical surveys, and observable soil morphological features. The results confirmed that concentrated subsurface lateral flow occurred at the interfaces with the clay layer and the underlying bedrock. At these two interfaces, the soils on the simulated flow paths were closer to saturation and showed more temporally unstable moisture dynamics than those off the simulated flow paths. Apparent electrical conductivity in the soil on the simulated flow paths was elevated and temporally unstable as compared to those outside the simulated paths. The soil cores collected from the simulated flow paths showed significantly higher Mn content at these interfaces than those away from the simulated paths. These results suggest that (1) the D8 algorithm is useful in simulating possible concentrated subsurface lateral flow paths if used with appropriate threshold value of contributing area and sufficiently detailed digital elevation model (DEM); (2) repeated electromagnetic surveys can reflect the temporal change of soil water storage and thus is a useful indicator of possible subsurface flow path over a large area; and (3) observable Mn distribution in soil profiles can be used as a simple indicator of water flow paths in soils and over the landscape; however, it does require sufficient soil sampling (by excavation or augering) to possibly infer landscape-scale subsurface flow paths. In areas where subsurface interface topography varies similarly with surface topography, surface DEM can be used to simulate potential subsurface lateral flow path reasonably so the cost associated with obtaining depth to subsurface water-restricting layer can be minimized.

Computer-aided operations engineering with integrated models of systems and operations

NASA Technical Reports Server (NTRS)

Malin, Jane T.; Ryan, Dan; Fleming, Land

1994-01-01

CONFIG 3 is a prototype software tool that supports integrated conceptual design evaluation from early in the product life cycle, by supporting isolated or integrated modeling, simulation, and analysis of the function, structure, behavior, failures and operation of system designs. Integration and reuse of models is supported in an object-oriented environment providing capabilities for graph analysis and discrete event simulation. Integration is supported among diverse modeling approaches (component view, configuration or flow path view, and procedure view) and diverse simulation and analysis approaches. Support is provided for integrated engineering in diverse design domains, including mechanical and electro-mechanical systems, distributed computer systems, and chemical processing and transport systems. CONFIG supports abstracted qualitative and symbolic modeling, for early conceptual design. System models are component structure models with operating modes, with embedded time-related behavior models. CONFIG supports failure modeling and modeling of state or configuration changes that result in dynamic changes in dependencies among components. Operations and procedure models are activity structure models that interact with system models. CONFIG is designed to support evaluation of system operability, diagnosability and fault tolerance, and analysis of the development of system effects of problems over time, including faults, failures, and procedural or environmental difficulties.

A novel integrated approach for path following and directional stability control of road vehicles after a tire blow-out

NASA Astrophysics Data System (ADS)

Wang, Fei; Chen, Hong; Guo, Konghui; Cao, Dongpu

2017-09-01

The path following and directional stability are two crucial problems when a road vehicle experiences a tire blow-out or sudden tire failure. Considering the requirement of rapid road vehicle motion control during a tire blow-out, this article proposes a novel linearized decoupling control procedure with three design steps for a class of second order multi-input-multi-output non-affine system. The evaluating indicators for controller performance are presented and a performance related control parameter distribution map is obtained based on the stochastic algorithm which is an innovation for non-blind parameter adjustment in engineering implementation. The analysis on the robustness of the proposed integrated controller is also performed. The simulation studies for a range of driving conditions are conducted, to demonstrate the effectiveness of the proposed controller.

Optimal multiguidance integration in insect navigation.

PubMed

Hoinville, Thierry; Wehner, Rüdiger

2018-03-13

In the last decades, desert ants have become model organisms for the study of insect navigation. In finding their way, they use two major navigational routines: path integration using a celestial compass and landmark guidance based on sets of panoramic views of the terrestrial environment. It has been claimed that this information would enable the insect to acquire and use a centralized cognitive map of its foraging terrain. Here, we present a decentralized architecture, in which the concurrently operating path integration and landmark guidance routines contribute optimally to the directions to be steered, with "optimal" meaning maximizing the certainty (reliability) of the combined information. At any one time during its journey, the animal computes a path integration (global) vector and landmark guidance (local) vector, in which the length of each vector is proportional to the certainty of the individual estimates. Hence, these vectors represent the limited knowledge that the navigator has at any one place about the direction of the goal. The sum of the global and local vectors indicates the navigator's optimal directional estimate. Wherever applied, this decentralized model architecture is sufficient to simulate the results of quite a number of diverse cue-conflict experiments, which have recently been performed in various behavioral contexts by different authors in both desert ants and honeybees. They include even those experiments that have deliberately been designed by former authors to strengthen the evidence for a metric cognitive map in bees.

Accelerating ab initio path integral molecular dynamics with multilevel sampling of potential surface

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

Geng, Hua Y., E-mail: huay.geng@gmail.com; Department of Chemistry and Chemical Biology, Cornell University, Baker Laboratory, Ithaca, NY 14853

A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics (AI-PIMD) simulation, without compromising the overall accuracy. To validate the method, the internal energy and free energy of an Einstein crystal are calculated and compared with the analytical solutions. As a preliminary application, we assess the performance of the method in a realistic model—the FCC phase of dense atomic hydrogen, in which the calculated result shows that the acceleration rate ismore » about 3 to 4-fold for a two-level implementation, and can be increased up to 10 times if extrapolation is used. With only 16 beads used for the ab initio potential sampling, this method gives a well converged internal energy. The residual error in pressure is just about 3 GPa, whereas it is about 20 GPa for a plain AI-PIMD calculation with the same number of beads. The vibrational free energy of the FCC phase of dense hydrogen at 300 K is also calculated with an AI-PIMD thermodynamic integration method, which gives a result of about 0.51 eV/proton at a density of r{sub s}=0.912.« less

Parallel VLSI architecture emulation and the organization of APSA/MPP

NASA Technical Reports Server (NTRS)

Odonnell, John T.

1987-01-01

The Applicative Programming System Architecture (APSA) combines an applicative language interpreter with a novel parallel computer architecture that is well suited for Very Large Scale Integration (VLSI) implementation. The Massively Parallel Processor (MPP) can simulate VLSI circuits by allocating one processing element in its square array to an area on a square VLSI chip. As long as there are not too many long data paths, the MPP can simulate a VLSI clock cycle very rapidly. The APSA circuit contains a binary tree with a few long paths and many short ones. A skewed H-tree layout allows every processing element to simulate a leaf cell and up to four tree nodes, with no loss in parallelism. Emulation of a key APSA algorithm on the MPP resulted in performance 16,000 times faster than a Vax. This speed will make it possible for the APSA language interpreter to run fast enough to support research in parallel list processing algorithms.

Measured Mass-Normalized Optical Cross Sections For Aerosolized Organophosphorus Chemical Warfare Simulants

DTIC Science & Technology

2007-08-01

solely to the absorption by the calibration gas. By equating the path-integrated extinction to the total absorption, we have ε(1/m) = α(1/m), where 6 α...using a high-resolution (0.02 wave-number) Bomem MR Series FTIR spectrometer. A radiometrically stabilized IR Nernst glow-bar is used as the broadband

Prediction of Vehicle Mobility on Large-Scale Soft-Soil Terrain Maps Using Physics-Based Simulation

DTIC Science & Technology

2016-08-04

soil type. The modeling approach is based on (i) a seamless integration of multibody dynamics and discrete element method (DEM) solvers, and (ii...ensure that the vehicle follows a desired path. The soil is modeled as a Discrete Element Model (DEM) with a general cohesive material model that is

Design Genetic Algorithm Optimization Education Software Based Fuzzy Controller for a Tricopter Fly Path Planning

ERIC Educational Resources Information Center

Tran, Huu-Khoa; Chiou, Juing -Shian; Peng, Shou-Tao

2016-01-01

In this paper, the feasibility of a Genetic Algorithm Optimization (GAO) education software based Fuzzy Logic Controller (GAO-FLC) for simulating the flight motion control of Unmanned Aerial Vehicles (UAVs) is designed. The generated flight trajectories integrate the optimized Scaling Factors (SF) fuzzy controller gains by using GAO algorithm. The…

Time step rescaling recovers continuous-time dynamical properties for discrete-time Langevin integration of nonequilibrium systems.

PubMed

Sivak, David A; Chodera, John D; Crooks, Gavin E

2014-06-19

When simulating molecular systems using deterministic equations of motion (e.g., Newtonian dynamics), such equations are generally numerically integrated according to a well-developed set of algorithms that share commonly agreed-upon desirable properties. However, for stochastic equations of motion (e.g., Langevin dynamics), there is still broad disagreement over which integration algorithms are most appropriate. While multiple desiderata have been proposed throughout the literature, consensus on which criteria are important is absent, and no published integration scheme satisfies all desiderata simultaneously. Additional nontrivial complications stem from simulating systems driven out of equilibrium using existing stochastic integration schemes in conjunction with recently developed nonequilibrium fluctuation theorems. Here, we examine a family of discrete time integration schemes for Langevin dynamics, assessing how each member satisfies a variety of desiderata that have been enumerated in prior efforts to construct suitable Langevin integrators. We show that the incorporation of a novel time step rescaling in the deterministic updates of position and velocity can correct a number of dynamical defects in these integrators. Finally, we identify a particular splitting (related to the velocity Verlet discretization) that has essentially universally appropriate properties for the simulation of Langevin dynamics for molecular systems in equilibrium, nonequilibrium, and path sampling contexts.

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.

A transformed path integral approach for solution of the Fokker-Planck equation

NASA Astrophysics Data System (ADS)

Subramaniam, Gnana M.; Vedula, Prakash

2017-10-01

A novel path integral (PI) based method for solution of the Fokker-Planck equation is presented. The proposed method, termed the transformed path integral (TPI) method, utilizes a new formulation for the underlying short-time propagator to perform the evolution of the probability density function (PDF) in a transformed computational domain where a more accurate representation of the PDF can be ensured. The new formulation, based on a dynamic transformation of the original state space with the statistics of the PDF as parameters, preserves the non-negativity of the PDF and incorporates short-time properties of the underlying stochastic process. New update equations for the state PDF in a transformed space and the parameters of the transformation (including mean and covariance) that better accommodate nonlinearities in drift and non-Gaussian behavior in distributions are proposed (based on properties of the SDE). Owing to the choice of transformation considered, the proposed method maps a fixed grid in transformed space to a dynamically adaptive grid in the original state space. The TPI method, in contrast to conventional methods such as Monte Carlo simulations and fixed grid approaches, is able to better represent the distributions (especially the tail information) and better address challenges in processes with large diffusion, large drift and large concentration of PDF. Additionally, in the proposed TPI method, error bounds on the probability in the computational domain can be obtained using the Chebyshev's inequality. The benefits of the TPI method over conventional methods are illustrated through simulations of linear and nonlinear drift processes in one-dimensional and multidimensional state spaces. The effects of spatial and temporal grid resolutions as well as that of the diffusion coefficient on the error in the PDF are also characterized.

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.

The Challenge of Grounding Planning in Simulation with an Interactive Model Development Environment

NASA Technical Reports Server (NTRS)

Clement, Bradley J.; Frank, Jeremy D.; Chachere, John M.; Smith, Tristan B.; Swanson, Keith J.

2011-01-01

A principal obstacle to fielding automated planning systems is the difficulty of modeling. Physical systems are modeled conventionally based on specification documents and the modeler's understanding of the system. Thus, the model is developed in a way that is disconnected from the system's actual behavior and is vulnerable to manual error. Another obstacle to fielding planners is testing and validation. For a space mission, generated plans must be validated often by translating them into command sequences that are run in a simulation testbed. Testing in this way is complex and onerous because of the large number of possible plans and states of the spacecraft. Though, if used as a source of domain knowledge, the simulator can ease validation. This paper poses a challenge: to ground planning models in the system physics represented by simulation. A proposed, interactive model development environment illustrates the integration of planning and simulation to meet the challenge. This integration reveals research paths for automated model construction and validation.

Tomographic reconstruction of tracer gas concentration profiles in a room with the use of a single OP-FTIR and two iterative algorithms: ART and PWLS.

PubMed

Park, D Y; Fessler, J A; Yost, M G; Levine, S P

2000-03-01

Computed tomographic (CT) reconstructions of air contaminant concentration fields were conducted in a room-sized chamber employing a single open-path Fourier transform infrared (OP-FTIR) instrument and a combination of 52 flat mirrors and 4 retroreflectors. A total of 56 beam path data were repeatedly collected for around 1 hr while maintaining a stable concentration gradient. The plane of the room was divided into 195 pixels (13 x 15) for reconstruction. The algebraic reconstruction technique (ART) failed to reconstruct the original concentration gradient patterns for most cases. These poor results were caused by the "highly underdetermined condition" in which the number of unknown values (156 pixels) exceeds that of known data (56 path integral concentrations) in the experimental setting. A new CT algorithm, called the penalized weighted least-squares (PWLS), was applied to remedy this condition. The peak locations were correctly positioned in the PWLS-CT reconstructions. A notable feature of the PWLS-CT reconstructions was a significant reduction of highly irregular noise peaks found in the ART-CT reconstructions. However, the peak heights were slightly reduced in the PWLS-CT reconstructions due to the nature of the PWLS algorithm. PWLS could converge on the original concentration gradient even when a fairly high error was embedded into some experimentally measured path integral concentrations. It was also found in the simulation tests that the PWLS algorithm was very robust with respect to random errors in the path integral concentrations. This beam geometry and the use of a single OP-FTIR scanning system, in combination with the PWLS algorithm, is a system applicable to both environmental and industrial settings.

Tomographic Reconstruction of Tracer Gas Concentration Profiles in a Room with the Use of a Single OP-FTIR and Two Iterative Algorithms: ART and PWLS.

PubMed

Park, Doo Y; Fessier, Jeffrey A; Yost, Michael G; Levine, Steven P

2000-03-01

Computed tomographic (CT) reconstructions of air contaminant concentration fields were conducted in a room-sized chamber employing a single open-path Fourier transform infrared (OP-FTIR) instrument and a combination of 52 flat mirrors and 4 retroreflectors. A total of 56 beam path data were repeatedly collected for around 1 hr while maintaining a stable concentration gradient. The plane of the room was divided into 195 pixels (13 × 15) for reconstruction. The algebraic reconstruction technique (ART) failed to reconstruct the original concentration gradient patterns for most cases. These poor results were caused by the "highly underdetermined condition" in which the number of unknown values (156 pixels) exceeds that of known data (56 path integral concentrations) in the experimental setting. A new CT algorithm, called the penalized weighted least-squares (PWLS), was applied to remedy this condition. The peak locations were correctly positioned in the PWLS-CT reconstructions. A notable feature of the PWLS-CT reconstructions was a significant reduction of highly irregular noise peaks found in the ART-CT reconstructions. However, the peak heights were slightly reduced in the PWLS-CT reconstructions due to the nature of the PWLS algorithm. PWLS could converge on the original concentration gradient even when a fairly high error was embedded into some experimentally measured path integral concentrations. It was also found in the simulation tests that the PWLS algorithm was very robust with respect to random errors in the path integral concentrations. This beam geometry and the use of a single OP-FTIR scanning system, in combination with the PWLS algorithm, is a system applicable to both environmental and industrial settings.

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.

Unified path integral approach to theories of diffusion-influenced reactions

NASA Astrophysics Data System (ADS)

Prüstel, Thorsten; Meier-Schellersheim, Martin

2017-08-01

Building on mathematical similarities between quantum mechanics and theories of diffusion-influenced reactions, we develop a general approach for computational modeling of diffusion-influenced reactions that is capable of capturing not only the classical Smoluchowski picture but also alternative theories, as is here exemplified by a volume reactivity model. In particular, we prove the path decomposition expansion of various Green's functions describing the irreversible and reversible reaction of an isolated pair of molecules. To this end, we exploit a connection between boundary value and interaction potential problems with δ - and δ'-function perturbation. We employ a known path-integral-based summation of a perturbation series to derive a number of exact identities relating propagators and survival probabilities satisfying different boundary conditions in a unified and systematic manner. Furthermore, we show how the path decomposition expansion represents the propagator as a product of three factors in the Laplace domain that correspond to quantities figuring prominently in stochastic spatially resolved simulation algorithms. This analysis will thus be useful for the interpretation of current and the design of future algorithms. Finally, we discuss the relation between the general approach and the theory of Brownian functionals and calculate the mean residence time for the case of irreversible and reversible reactions.

Multigranular integrated services optical network

NASA Astrophysics Data System (ADS)

Yu, Oliver; Yin, Leping; Xu, Huan; Liao, Ming

2006-12-01

Based on all-optical switches without requiring fiber delay lines and optical-electrical-optical interfaces, the multigranular optical switching (MGOS) network integrates three transport services via unified core control to efficiently support bursty and stream traffic of subwavelength to multiwavelength bandwidth. Adaptive robust optical burst switching (AR-OBS) aggregates subwavelength burst traffic into asynchronous light-rate bursts, transported via slotted-time light paths established by fast two-way reservation with robust blocking recovery control. Multiwavelength optical switching (MW-OS) decomposes multiwavelength stream traffic into a group of timing-related light-rate streams, transported via a light-path group to meet end-to-end delay-variation requirements. Optical circuit switching (OCS) simply converts wavelength stream traffic from an electrical-rate into a light-rate stream. The MGOS network employs decoupled routing, wavelength, and time-slot assignment (RWTA) and novel group routing and wavelength assignment (GRWA) to select slotted-time light paths and light-path groups, respectively. The selected resources are reserved by the unified multigranular robust fast optical reservation protocol (MG-RFORP). Simulation results show that elastic traffic is efficiently supported via AR-OBS in terms of loss rate and wavelength utilization, while connection-oriented wavelength traffic is efficiently supported via wavelength-routed OCS in terms of connection blocking and wavelength utilization. The GRWA-tuning result for MW-OS is also shown.

Driven Langevin systems: fluctuation theorems and faithful dynamics

NASA Astrophysics Data System (ADS)

Sivak, David; Chodera, John; Crooks, Gavin

2014-03-01

Stochastic differential equations of motion (e.g., Langevin dynamics) provide a popular framework for simulating molecular systems. Any computational algorithm must discretize these equations, yet the resulting finite time step integration schemes suffer from several practical shortcomings. We show how any finite time step Langevin integrator can be thought of as a driven, nonequilibrium physical process. Amended by an appropriate work-like quantity (the shadow work), nonequilibrium fluctuation theorems can characterize or correct for the errors introduced by the use of finite time steps. We also quantify, for the first time, the magnitude of deviations between the sampled stationary distribution and the desired equilibrium distribution for equilibrium Langevin simulations of solvated systems of varying size. We further show that the incorporation of a novel time step rescaling in the deterministic updates of position and velocity can correct a number of dynamical defects in these integrators. Finally, we identify a particular splitting that has essentially universally appropriate properties for the simulation of Langevin dynamics for molecular systems in equilibrium, nonequilibrium, and path sampling contexts.

Momentum Distribution as a Fingerprint of Quantum Delocalization in Enzymatic Reactions: Open-Chain Path-Integral Simulations of Model Systems and the Hydride Transfer in Dihydrofolate Reductase.

PubMed

Engel, Hamutal; Doron, Dvir; Kohen, Amnon; Major, Dan Thomas

2012-04-10

The inclusion of nuclear quantum effects such as zero-point energy and tunneling is of great importance in studying condensed phase chemical reactions involving the transfer of protons, hydrogen atoms, and hydride ions. In the current work, we derive an efficient quantum simulation approach for the computation of the momentum distribution in condensed phase chemical reactions. The method is based on a quantum-classical approach wherein quantum and classical simulations are performed separately. The classical simulations use standard sampling techniques, whereas the quantum simulations employ an open polymer chain path integral formulation which is computed using an efficient Monte Carlo staging algorithm. The approach is validated by applying it to a one-dimensional harmonic oscillator and symmetric double-well potential. Subsequently, the method is applied to the dihydrofolate reductase (DHFR) catalyzed reduction of 7,8-dihydrofolate by nicotinamide adenine dinucleotide phosphate hydride (NADPH) to yield S-5,6,7,8-tetrahydrofolate and NADP(+). The key chemical step in the catalytic cycle of DHFR involves a stereospecific hydride transfer. In order to estimate the amount of quantum delocalization, we compute the position and momentum distributions for the transferring hydride ion in the reactant state (RS) and transition state (TS) using a recently developed hybrid semiempirical quantum mechanics-molecular mechanics potential energy surface. Additionally, we examine the effect of compression of the donor-acceptor distance (DAD) in the TS on the momentum distribution. The present results suggest differential quantum delocalization in the RS and TS, as well as reduced tunneling upon DAD compression.

SU-E-T-58: A Novel Monte Carlo Photon Transport Simulation Scheme and Its Application in Cone Beam CT Projection Simulation

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

Xu, Y; Southern Medical University, Guangzhou; Tian, Z

Purpose: Monte Carlo (MC) simulation is an important tool to solve radiotherapy and medical imaging problems. Low computational efficiency hinders its wide applications. Conventionally, MC is performed in a particle-by -particle fashion. The lack of control on particle trajectory is a main cause of low efficiency in some applications. Take cone beam CT (CBCT) projection simulation as an example, significant amount of computations were wasted on transporting photons that do not reach the detector. To solve this problem, we propose an innovative MC simulation scheme with a path-by-path sampling method. Methods: Consider a photon path starting at the x-ray source.more » After going through a set of interactions, it ends at the detector. In the proposed scheme, we sampled an entire photon path each time. Metropolis-Hasting algorithm was employed to accept/reject a sampled path based on a calculated acceptance probability, in order to maintain correct relative probabilities among different paths, which are governed by photon transport physics. We developed a package gMMC on GPU with this new scheme implemented. The performance of gMMC was tested in a sample problem of CBCT projection simulation for a homogeneous object. The results were compared to those obtained using gMCDRR, a GPU-based MC tool with the conventional particle-by-particle simulation scheme. Results: Calculated scattered photon signals in gMMC agreed with those from gMCDRR with a relative difference of 3%. It took 3.1 hr. for gMCDRR to simulate 7.8e11 photons and 246.5 sec for gMMC to simulate 1.4e10 paths. Under this setting, both results attained the same ∼2% statistical uncertainty. Hence, a speed-up factor of ∼45.3 was achieved by this new path-by-path simulation scheme, where all the computations were spent on those photons contributing to the detector signal. Conclusion: We innovatively proposed a novel path-by-path simulation scheme that enabled a significant efficiency enhancement for MC particle transport simulations.« less

Geometry, Heat Equation and Path Integrals on the Poincaré Upper Half-Plane

NASA Astrophysics Data System (ADS)

Kubo, R.

1988-01-01

Geometry, heat equation and Feynman's path integrals are studied on the Poincaré upper half-plane. The fundamental solution to the heat equation partial f/partial t = Delta_{H} f is expressed in terms of a path integral defined on the upper half-plane. It is shown that Kac's statement that Feynman's path integral satisfies the Schrödinger equation is also valid for our case.

An investigation of a mathematical model for atmospheric absorption spectra

NASA Technical Reports Server (NTRS)

Niple, E. R.

1979-01-01

A computer program that calculates absorption spectra for slant paths through the atmosphere is described. The program uses an efficient convolution technique (Romberg integration) to simulate instrument resolution effects. A brief information analysis is performed on a set of calculated spectra to illustrate how such techniques may be used to explore the quality of the information in a spectrum.

Resource Allocation and Outpatient Appointment Scheduling Using Simulation Optimization

PubMed Central

Ling, Teresa Wai Ching; Yeung, Wing Kwan

2017-01-01

This paper studies the real-life problems of outpatient clinics having the multiple objectives of minimizing resource overtime, patient waiting time, and waiting area congestion. In the clinic, there are several patient classes, each of which follows different treatment procedure flow paths through a multiphase and multiserver queuing system with scarce staff and limited space. We incorporate the stochastic factors for the probabilities of the patients being diverted into different flow paths, patient punctuality, arrival times, procedure duration, and the number of accompanied visitors. We present a novel two-stage simulation-based heuristic algorithm to assess various tactical and operational decisions for optimizing the multiple objectives. In stage I, we search for a resource allocation plan, and in stage II, we determine a block appointment schedule by patient class and a service discipline for the daily operational level. We also explore the effects of the separate strategies and their integration to identify the best possible combination. The computational experiments are designed on the basis of data from a study of an ophthalmology clinic in a public hospital. Results show that our approach significantly mitigates the undesirable outcomes by integrating the strategies and increasing the resource flexibility at the bottleneck procedures without adding resources. PMID:29104748

Resource Allocation and Outpatient Appointment Scheduling Using Simulation Optimization.

PubMed

Lin, Carrie Ka Yuk; Ling, Teresa Wai Ching; Yeung, Wing Kwan

2017-01-01

This paper studies the real-life problems of outpatient clinics having the multiple objectives of minimizing resource overtime, patient waiting time, and waiting area congestion. In the clinic, there are several patient classes, each of which follows different treatment procedure flow paths through a multiphase and multiserver queuing system with scarce staff and limited space. We incorporate the stochastic factors for the probabilities of the patients being diverted into different flow paths, patient punctuality, arrival times, procedure duration, and the number of accompanied visitors. We present a novel two-stage simulation-based heuristic algorithm to assess various tactical and operational decisions for optimizing the multiple objectives. In stage I, we search for a resource allocation plan, and in stage II, we determine a block appointment schedule by patient class and a service discipline for the daily operational level. We also explore the effects of the separate strategies and their integration to identify the best possible combination. The computational experiments are designed on the basis of data from a study of an ophthalmology clinic in a public hospital. Results show that our approach significantly mitigates the undesirable outcomes by integrating the strategies and increasing the resource flexibility at the bottleneck procedures without adding resources.

Quantum path integral simulation of isotope effects in the melting temperature of ice Ih.

PubMed

Ramírez, R; Herrero, C P

2010-10-14

The isotope effect in the melting temperature of ice Ih has been studied by free energy calculations within the path integral formulation of statistical mechanics. Free energy differences between isotopes are related to the dependence of their kinetic energy on the isotope mass. The water simulations were performed by using the q-TIP4P/F model, a point charge empirical potential that includes molecular flexibility and anharmonicity in the OH stretch of the water molecule. The reported melting temperature at ambient pressure of this model (T=251 K) increases by 6.5±0.5 and 8.2±0.5 K upon isotopic substitution of hydrogen by deuterium and tritium, respectively. These temperature shifts are larger than the experimental ones (3.8 and 4.5 K, respectively). In the classical limit, the melting temperature is nearly the same as that for tritiated ice. This unexpected behavior is rationalized by the coupling between intermolecular interactions and molecular flexibility. This coupling makes the kinetic energy of the OH stretching modes larger in the liquid than in the solid phase. However, the opposite behavior is found for intramolecular modes, which display larger kinetic energy in ice than in liquid water.

On performing of interference technique based on self-adjusting Zernike filters (SA-AVT method) to investigate flows and validate 3D flow numerical simulations

NASA Astrophysics Data System (ADS)

Pavlov, Al. A.; Shevchenko, A. M.; Khotyanovsky, D. V.; Pavlov, A. A.; Shmakov, A. S.; Golubev, M. P.

2017-10-01

We present a method for and results of determination of the field of integral density in the structure of flow corresponding to the Mach interaction of shock waves at Mach number M = 3. The optical diagnostics of flow was performed using an interference technique based on self-adjusting Zernike filters (SA-AVT method). Numerical simulations were carried out using the CFS3D program package for solving the Euler and Navier-Stokes equations. Quantitative data on the distribution of integral density on the path of probing radiation in one direction of 3D flow transillumination in the region of Mach interaction of shock waves were obtained for the first time.

Integrity of Bolted Angle Connections Subjected to Simulated Column Removal

PubMed Central

Weigand, Jonathan M.; Berman, Jeffrey W.

2016-01-01

Large-scale tests of steel gravity framing systems (SGFSs) have shown that the connections are critical to the system integrity, when a column suffers damage that compromises its ability to carry gravity loads. When supporting columns were removed, the SGFSs redistributed gravity loads through the development of an alternate load path in a sustained tensile configuration resulting from large vertical deflections. The ability of the system to sustain such an alternate load path depends on the capacity of the gravity connections to remain intact after undergoing large rotation and axial extension demands, for which they were not designed. This study experimentally evaluates the performance of steel bolted angle connections subjected to loading consistent with an interior column removal. The characteristic connection behaviors are described and the performance of multiple connection configurations are compared in terms of their peak resistances and deformation capacities. PMID:27110059

Path Integral Metadynamics.

PubMed

Quhe, Ruge; Nava, Marco; Tiwary, Pratyush; Parrinello, Michele

2015-04-14

We develop a new efficient approach for the simulation of static properties of quantum systems using path integral molecular dynamics in combination with metadynamics. We use the isomorphism between a quantum system and a classical one in which a quantum particle is mapped into a ring polymer. A history dependent biasing potential is built as a function of the elastic energy of the isomorphic polymer. This enhances fluctuations in the shape and size of the necklace in a controllable manner and allows escaping deep energy minima in a limited computer time. In this way, we are able to sample high free energy regions and cross barriers, which would otherwise be insurmountable with unbiased methods. This substantially improves the ability of finding the global free energy minimum as well as exploring other metastable states. The performance of the new technique is demonstrated by illustrative applications on model potentials of varying complexity.

Path integration on the hyperbolic plane with a magnetic field

NASA Astrophysics Data System (ADS)

Grosche, Christian

1990-08-01

In this paper I discuss the path integrals on three formulations of hyperbolic geometry, where a constant magnetic field B is included. These are: the pseudosphere Λ2, the Poincaré disc D, and the hyperbolic strip S. The corresponding path integrals can be reformulated in terms of the path integral for the modified Pöschl-Teller potential. The wave-functions and the energy spectrum for the discrete and continuous part of the spectrum are explicitly calculated in each case. First the results are compared for the limit B → 0 with previous calculations and second with the path integration on the Poincaré upper half-plane U. This work is a continuation of the path integral calculations for the free motion on the various formulations on the hyperbolic plane and for the case of constant magnetic field on the Poincaré upper half-plane U.

CH4 IPDA Lidar mission data simulator and processor for MERLIN: prototype development at LMD/CNRS/Ecole Polytechnique

NASA Astrophysics Data System (ADS)

Olivier, Chomette; Armante, Raymond; Crevoisier, Cyril; Delahaye, Thibault; Edouart, Dimitri; Gibert, Fabien; Nahan, Frédéric; Tellier, Yoann

2018-04-01

The MEthane Remote sensing Lidar missioN (MERLIN), currently in phase C, is a joint cooperation between France and Germany on the development of a spatial Integrated Path Differential Absorption (IPDA) LIDAR (LIght Detecting And Ranging) to conduct global observations of atmospheric methane. This presentation will focus on the status of a LIDAR mission data simulator and processor developed at LMD (Laboratoire de Météorologie Dynamique), Ecole Polytechnique, France, for MERLIN to assess the performances in realistic observational situations.

Integration of visual and motion cues for simulator requirements and ride quality investigation. [computerized simulation of aircraft landing, visual perception of aircraft pilots

NASA Technical Reports Server (NTRS)

Young, L. R.

1975-01-01

Preliminary tests and evaluation are presented of pilot performance during landing (flight paths) using computer generated images (video tapes). Psychophysiological factors affecting pilot visual perception were measured. A turning flight maneuver (pitch and roll) was specifically studied using a training device, and the scaling laws involved were determined. Also presented are medical studies (abstracts) on human response to gravity variations without visual cues, acceleration stimuli effects on the semicircular canals, and neurons affecting eye movements, and vestibular tests.

Dissociable cognitive mechanisms underlying human path integration.

PubMed

Wiener, Jan M; Berthoz, Alain; Wolbers, Thomas

2011-01-01

Path integration is a fundamental mechanism of spatial navigation. In non-human species, it is assumed to be an online process in which a homing vector is updated continuously during an outward journey. In contrast, human path integration has been conceptualized as a configural process in which travelers store working memory representations of path segments, with the computation of a homing vector only occurring when required. To resolve this apparent discrepancy, we tested whether humans can employ different path integration strategies in the same task. Using a triangle completion paradigm, participants were instructed either to continuously update the start position during locomotion (continuous strategy) or to remember the shape of the outbound path and to calculate home vectors on basis of this representation (configural strategy). While overall homing accuracy was superior in the configural condition, participants were quicker to respond during continuous updating, strongly suggesting that homing vectors were computed online. Corroborating these findings, we observed reliable differences in head orientation during the outbound path: when participants applied the continuous updating strategy, the head deviated significantly from straight ahead in direction of the start place, which can be interpreted as a continuous motor expression of the homing vector. Head orientation-a novel online measure for path integration-can thus inform about the underlying updating mechanism already during locomotion. In addition to demonstrating that humans can employ different cognitive strategies during path integration, our two-systems view helps to resolve recent controversies regarding the role of the medial temporal lobe in human path integration.

Numerical Simulation and Experimental Validation of MIG Welding of T-Joints of Thin Aluminum Plates for Top Class Vehicles

NASA Astrophysics Data System (ADS)

Bonazzi, Enrico; Colombini, Elena; Panari, Davide; Vergnano, Alberto; Leali, Francesco; Veronesi, Paolo

2017-01-01

The integration of experiments with numerical simulations can efficiently support a quick evaluation of the welded joint. In this work, the MIG welding operation on aluminum T-joint thin plate has been studied by the integration of both simulation and experiments. The aim of the paper is to enlarge the global database, to promote the use of thin aluminum sheets in automotive body industries and to provide new data. Since the welding of aluminum thin plates is difficult to control due to high speed of the heat source and high heat flows during heating and cooling, a simulation model could be considered an effective design tool to predict the real phenomena. This integrated approach enables new evaluation possibilities on MIG-welded thin aluminum T-joints, as correspondence between the extension of the microstructural zones and the simulation parameters, material hardness, transient 3D temperature distribution on the surface and inside the material, stresses, strains, and deformations. The results of the mechanical simulations are comparable with the experimental measurements along the welding path, especially considering the variability of the process. The results could well predict the welding-induced distortion, which together with local heating during welding must be anticipated and subsequently minimized and counterbalance.

Analysis of MD5 authentication in various routing protocols using simulation tools

NASA Astrophysics Data System (ADS)

Dinakaran, M.; Darshan, K. N.; Patel, Harsh

2017-11-01

Authentication being an important paradigm of security and Computer Networks require secure paths to make the flow of the data even more secure through some security protocols. So MD-5(Message Digest 5) helps in providing data integrity to the data being sent through it and authentication to the network devices. This paper gives a brief introduction to the MD-5, simulation of the networks by including MD-5 authentication using various routing protocols like OSPF, EIGRP and RIPv2. GNS3 is being used to simulate the scenarios. Analysis of the MD-5 authentication is done in the later sections of the paper.

Flat dielectric metasurface lens array for three dimensional integral imaging

NASA Astrophysics Data System (ADS)

Zhang, Jianlei; Wang, Xiaorui; Yang, Yi; Yuan, Ying; Wu, Xiongxiong

2018-05-01

In conventional integral imaging, the singlet refractive lens array limits the imaging performance due to its prominent aberrations. Different from the refractive lens array relying on phase modulation via phase change accumulated along the optical paths, metasurfaces composed of nano-scatters can produce phase abrupt over the scale of wavelength. In this letter, we propose a novel lens array consisting of two neighboring flat dielectric metasurfaces for integral imaging system. The aspherical phase profiles of the metasurfaces are optimized to improve imaging performance. The simulation results show that our designed 5 × 5 metasurface-based lens array exhibits high image quality at designed wavelength 865 nm.

Integral image rendering procedure for aberration correction and size measurement.

PubMed

Sommer, Holger; Ihrig, Andreas; Ebenau, Melanie; Flühs, Dirk; Spaan, Bernhard; Eichmann, Marion

2014-05-20

The challenge in rendering integral images is to use as much information preserved by the light field as possible to reconstruct a captured scene in a three-dimensional way. We propose a rendering algorithm based on the projection of rays through a detailed simulation of the optical path, considering all the physical properties and locations of the optical elements. The rendered images contain information about the correct size of imaged objects without the need to calibrate the imaging device. Additionally, aberrations of the optical system may be corrected, depending on the setup of the integral imaging device. We show simulation data that illustrates the aberration correction ability and experimental data from our plenoptic camera, which illustrates the capability of our proposed algorithm to measure size and distance. We believe this rendering procedure will be useful in the future for three-dimensional ophthalmic imaging of the human retina.

Simulating Mission Command for Planning and Analysis

DTIC Science & Technology

2015-06-01

mission plan. 14. SUBJECT TERMS Mission Planning, CPM , PERT, Simulation, DES, Simkit, Triangle Distribution, Critical Path 15. NUMBER OF...Battalion Task Force CO Company CPM Critical Path Method DES Discrete Event Simulation FA BAT Field Artillery Battalion FEL Future Event List FIST...management tools that can be utilized to find the critical path in military projects. These are the Critical Path Method ( CPM ) and the Program Evaluation and

Traffic-engineering-aware shortest-path routing and its application in IP-over-WDM networks [Invited

NASA Astrophysics Data System (ADS)

Lee, Youngseok; Mukherjee, Biswanath

2004-03-01

Single shortest-path routing is known to perform poorly for Internet traffic engineering (TE) where the typical optimization objective is to minimize the maximum link load. Splitting traffic uniformly over equal-cost multiple shortest paths in open shortest path first and intermediate system-intermediate system protocols does not always minimize the maximum link load when multiple paths are not carefully selected for the global traffic demand matrix. However, a TE-aware shortest path among all the equal-cost multiple shortest paths between each ingress-egress pair can be selected such that the maximum link load is significantly reduced. IP routers can use the globally optimal TE-aware shortest path without any change to existing routing protocols and without any serious configuration overhead. While calculating TE-aware shortest paths, the destination-based forwarding constraint at a node should be satisfied, because an IP router will forward a packet to the next hop toward the destination by looking up the destination prefix. We present a mathematical problem formulation for finding a set of TE-aware shortest paths for the given network as an integer linear program, and we propose a simple heuristic for solving large instances of the problem. Then we explore the usage of our proposed algorithm for the integrated TE method in IP-over-WDM networks. The proposed algorithm is evaluated through simulations in IP networks as well as in IP-over-WDM networks.

Optimization of processing parameters of UAV integral structural components based on yield response

NASA Astrophysics Data System (ADS)

Chen, Yunsheng

2018-05-01

In order to improve the overall strength of unmanned aerial vehicle (UAV), it is necessary to optimize the processing parameters of UAV structural components, which is affected by initial residual stress in the process of UAV structural components processing. Because machining errors are easy to occur, an optimization model for machining parameters of UAV integral structural components based on yield response is proposed. The finite element method is used to simulate the machining parameters of UAV integral structural components. The prediction model of workpiece surface machining error is established, and the influence of the path of walking knife on residual stress of UAV integral structure is studied, according to the stress of UAV integral component. The yield response of the time-varying stiffness is analyzed, and the yield response and the stress evolution mechanism of the UAV integral structure are analyzed. The simulation results show that this method is used to optimize the machining parameters of UAV integral structural components and improve the precision of UAV milling processing. The machining error is reduced, and the deformation prediction and error compensation of UAV integral structural parts are realized, thus improving the quality of machining.

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.

Path Integral Monte Carlo Simulations of Warm Dense Matter and Plasmas

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

Militzer, Burkhard

2018-01-13

New path integral Monte Carlo simulation (PIMC) techniques will be developed and applied to derive the equation of state (EOS) for the regime of warm dense matter and dense plasmas where existing first-principles methods cannot be applied. While standard density functional theory has been used to accurately predict the structure of many solids and liquids up to temperatures on the order of 10,000 K, this method is not applicable at much higher temperature where electronic excitations become important because the number of partially occupied electronic orbitals reaches intractably large numbers and, more importantly, the use of zero-temperature exchange-correlation functionals introducesmore » an uncontrolled approximation. Here we focus on PIMC methods that become more and more efficient with increasing temperatures and still include all electronic correlation effects. In this approach, electronic excitations increase the efficiency rather than reduce it. While it has commonly been assumed such methods can only be applied to elements without core electrons like hydrogen and helium, we recently showed how to extend PIMC to heavier elements by performing the first PIMC simulations of carbon and water plasmas [Driver, Militzer, Phys. Rev. Lett. 108 (2012) 115502]. Here we propose to continue this important development to extend the reach of PIMC simulations to yet heavier elements and also lower temperatures. The goal is to provide a robust first-principles simulation method that can accurately and efficiently study materials with excited electrons at solid-state densities in order to access parts of the phase diagram such the regime of warm dense matter and plasmas where so far only more approximate, semi-analytical methods could be applied.« less

Which way and how far? Tracking of translation and rotation information for human path integration.

PubMed

Chrastil, Elizabeth R; Sherrill, Katherine R; Hasselmo, Michael E; Stern, Chantal E

2016-10-01

Path integration, the constant updating of the navigator's knowledge of position and orientation during movement, requires both visuospatial knowledge and memory. This study aimed to develop a systems-level understanding of human path integration by examining the basic building blocks of path integration in humans. To achieve this goal, we used functional imaging to examine the neural mechanisms that support the tracking and memory of translational and rotational components of human path integration. Critically, and in contrast to previous studies, we examined movement in translation and rotation tasks with no defined end-point or goal. Navigators accumulated translational and rotational information during virtual self-motion. Activity in hippocampus, retrosplenial cortex (RSC), and parahippocampal cortex (PHC) increased during both translation and rotation encoding, suggesting that these regions track self-motion information during path integration. These results address current questions regarding distance coding in the human brain. By implementing a modified delayed match to sample paradigm, we also examined the encoding and maintenance of path integration signals in working memory. Hippocampus, PHC, and RSC were recruited during successful encoding and maintenance of path integration information, with RSC selective for tasks that required processing heading rotation changes. These data indicate distinct working memory mechanisms for translation and rotation, which are essential for updating neural representations of current location. The results provide evidence that hippocampus, PHC, and RSC flexibly track task-relevant translation and rotation signals for path integration and could form the hub of a more distributed network supporting spatial navigation. Hum Brain Mapp 37:3636-3655, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Data-driven Modeling of the Solar Corona by a New Three-dimensional Path-conservative Osher-Solomon MHD Model

NASA Astrophysics Data System (ADS)

Feng, Xueshang; Li, Caixia; Xiang, Changqing; Zhang, Man; Li, HuiChao; Wei, Fengsi

2017-11-01

A second-order path-conservative scheme with a Godunov-type finite-volume method has been implemented to advance the equations of single-fluid solar wind plasma magnetohydrodynamics (MHD) in time. This code operates on the six-component composite grid system in three-dimensional spherical coordinates with hexahedral cells of quadrilateral frustum type. The generalized Osher-Solomon Riemann solver is employed based on a numerical integration of the path-dependent dissipation matrix. For simplicity, the straight line segment path is used, and the path integral is evaluated in a fully numerical way by a high-order numerical Gauss-Legendre quadrature. Besides its very close similarity to Godunov type, the resulting scheme retains the attractive features of the original solver: it is nonlinear, free of entropy-fix, differentiable, and complete, in that each characteristic field results in a different numerical viscosity, due to the full use of the MHD eigenstructure. By using a minmod limiter for spatial oscillation control, the path-conservative scheme is realized for the generalized Lagrange multiplier and the extended generalized Lagrange multiplier formulation of solar wind MHD systems. This new model that is second order in space and time is written in the FORTRAN language with Message Passing Interface parallelization and validated in modeling the time-dependent large-scale structure of the solar corona, driven continuously by Global Oscillation Network Group data. To demonstrate the suitability of our code for the simulation of solar wind, we present selected results from 2009 October 9 to 2009 December 29 show its capability of producing a structured solar corona in agreement with solar coronal observations.

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.

Simulator Investigation of Pilot Aids for Helicopter Terminal Area Operations with One Engine Inoperative

NASA Technical Reports Server (NTRS)

Iseler, Laura; Chen, Robert; Dearing, Munro; Decker, William; Aiken, Edwin W. (Technical Monitor)

1995-01-01

Two recent piloted simulation experiments have investigated advanced display concepts applied to civil transport helicopter terminal area operations. Civil Category A helicopter operations apply to multi-engine helicopters wherein a safe recovery (land or fly out) is required in the event of a single engine failure. The investigation used the NASA Ames Research Center Vertical Motion Simulator, which has a full six degrees of freedom, to simulate the flight task as closely as possible. The goal of these experiments was to use advanced cockpit displays to improve flight safety and enhance the mission performance of Category A terminal area operations in confined areas. The first experiment investigated the use of military display formats to assist civil rotorcraft in performing a Category A takeoff in confined terminal areas. Specifically, it addressed how well a difficult hovering backup path could be followed using conventional instruments in comparison to panel mounted integrated displays. The hovering backup takeoff, which enables pilots to land back to the confined area pad in the event of an engine failure, was chosen since it is a difficult task to perform. Seven NASA and Army test pilots participated in the experiment. Evaluations, based on task performance and pilot workload, showed that an integrated display enabled the pilot to consistently achieve adequate or desired performance with reasonable pilot workload. Use of conventional instruments, however, frequently resulted in unacceptable performance (poor flight path tracking), higher pilot workload, and poor situational awareness. Although OEI landbacks were considered a visual task, the improved performance on the backup portion, in conjunction with increased situational awareness resulting from use of integrated displays, enabled the pilots to handle an engine failure and land back safely. In contrast, use of conventional instruments frequently led to excessive rates of sink at touchdown. A second simulation (in progress - July - August) is being conducted to investigate the use of advanced displays to perform vertical and short takeoffs and landings. One Engine Inoperative trajectories, which were optimized based on safety of flight restrictions, are utilized. Based on comments from the first experiment and further analytic development, appropriate fly out and approach guidance was added. Displays include conventional instruments with raw data, and the following integrated displays: multi-view and side-view hover displays based on the Apache Pilot Night Vision System, and variations of the pathway-in-the-sky displays with a flight-path-vector, a leader and flight director modifications. Panel mounted and head-up displays are being evaluated. Engine modifications have been incorporated to simulate 30 second and 2 minute contingency power ratings. Evaluations are based on task performance and pilot workload. NASA, Army, FAA, and industry test pilots participated. Details concerning the design, conduct, and the results of the experiment will be reported in the proposed paper.

Path selection system simulation and evaluation for a Martian roving vehicle

NASA Technical Reports Server (NTRS)

Boheim, S. L.; Prudon, W. C.

1972-01-01

The simulation and evaluation of proposed path selection systems for an autonomous Martian roving vehicle was developed. The package incorporates a number of realistic features, such as the simulation of random effects due to vehicle bounce and sensor-reading uncertainty, to increase the reliability of the results. Qualitative and quantitative evaluation criteria were established. The performance of three different path selection systems was evaluated to determine the effectiveness of the simulation package, and to form some preliminary conclusions regarding the tradeoffs involved in a path selection system design.

Comparison of workload measures on computer-generated primary flight displays

NASA Technical Reports Server (NTRS)

Nataupsky, Mark; Abbott, Terence S.

1987-01-01

Four Air Force pilots were used as subjects to assess a battery of subjective and physiological workload measures in a flight simulation environment in which two computer-generated primary flight display configurations were evaluated. A high- and low-workload task was created by manipulating flight path complexity. Both SWAT and the NASA-TLX were shown to be effective in differentiating the high and low workload path conditions. Physiological measures were inconclusive. A battery of workload measures continues to be necessary for an understanding of the data. Based on workload, opinion, and performance data, it is fruitful to pursue research with a primary flight display and a horizontal situation display integrated into a single display.

Navigation system for autonomous mapper robots

NASA Astrophysics Data System (ADS)

Halbach, Marc; Baudoin, Yvan

1993-05-01

This paper describes the conception and realization of a fast, robust, and general navigation system for a mobile (wheeled or legged) robot. A database, representing a high level map of the environment is generated and continuously updated. The first part describes the legged target vehicle and the hexapod robot being developed. The second section deals with spatial and temporal sensor fusion for dynamic environment modeling within an obstacle/free space probabilistic classification grid. Ultrasonic sensors are used, others are suspected to be integrated, and a-priori knowledge is treated. US sensors are controlled by the path planning module. The third part concerns path planning and a simulation of a wheeled robot is also presented.

Distinct roles of hippocampus and medial prefrontal cortex in spatial and nonspatial memory.

PubMed

Sapiurka, Maya; Squire, Larry R; Clark, Robert E

2016-12-01

In earlier work, patients with hippocampal damage successfully path integrated, apparently by maintaining spatial information in working memory. In contrast, rats with hippocampal damage were unable to path integrate, even when the paths were simple and working memory might have been expected to support performance. We considered possible ways to understand these findings. We tested rats with either hippocampal lesions or lesions of medial prefrontal cortex (mPFC) on three tasks of spatial or nonspatial memory: path integration, spatial alternation, and a nonspatial alternation task. Rats with mPFC lesions were impaired on both spatial and nonspatial alternation but performed normally on path integration. By contrast, rats with hippocampal lesions were impaired on path integration and spatial alternation but performed normally on nonspatial alternation. We propose that rodent neocortex is limited in its ability to construct a coherent spatial working memory of complex environments. Accordingly, in tasks such as path integration and spatial alternation, working memory cannot depend on neocortex alone. Rats may accomplish many spatial memory tasks by relying on long-term memory. Alternatively, they may accomplish these tasks within working memory through sustained coordination between hippocampus and other cortical brain regions such as mPFC, in the case of spatial alternation, or parietal cortex in the case of path integration. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Elevated temperature crack growth

NASA Technical Reports Server (NTRS)

Kim, K. S.; Yau, J. F.; Vanstone, R. H.; Laflen, J. H.

1984-01-01

Critical gas turbine engine hot section components such as blades, vanes, and combustor liners tend to develop minute cracks during early stages of operations. The ability of currently available path-independent (P-I) integrals to correlate fatigue crack propagation under conditions that simulate the turbojet engine combustor liner environment was determined. To date, an appropriate specimen design and a crack displacement measurement method were determined. Alloy 718 was selected as the analog material based on its ability to simulate high temperature behavior at lower temperatures in order to facilitate experimental measurements. Available P-I integrals were reviewed and the best approaches are being programmed into a finite element post processor for eventual comparison with experimental data. The experimental data will include cyclic crack growth tests under thermomechanical conditions, and, additionally, thermal gradients.

Numerical Simulation of Delamination Growth in Composite Materials

NASA Technical Reports Server (NTRS)

Camanho, P. P.; Davila, C. G.; Ambur, D. R.

2001-01-01

The use of decohesion elements for the simulation of delamination in composite materials is reviewed. The test methods available to measure the interfacial fracture toughness used in the formulation of decohesion elements are described initially. After a brief presentation of the virtual crack closure technique, the technique most widely used to simulate delamination growth, the formulation of interfacial decohesion elements is described. Problems related with decohesion element constitutive equations, mixed-mode crack growth, element numerical integration and solution procedures are discussed. Based on these investigations, it is concluded that the use of interfacial decohesion elements is a promising technique that avoids the need for a pre-existing crack and pre-defined crack paths, and that these elements can be used to simulate both delamination onset and growth.

Inverse optimal self-tuning PID control design for an autonomous underwater vehicle

NASA Astrophysics Data System (ADS)

Rout, Raja; Subudhi, Bidyadhar

2017-01-01

This paper presents a new approach to path following control design for an autonomous underwater vehicle (AUV). A NARMAX model of the AUV is derived first and then its parameters are adapted online using the recursive extended least square algorithm. An adaptive Propotional-Integral-Derivative (PID) controller is developed using the derived parameters to accomplish the path following task of an AUV. The gain parameters of the PID controller are tuned using an inverse optimal control technique, which alleviates the problem of solving Hamilton-Jacobian equation and also satisfies an error cost function. Simulation studies were pursued to verify the efficacy of the proposed control algorithm. From the obtained results, it is envisaged that the proposed NARMAX model-based self-tuning adaptive PID control provides good path following performance even in the presence of uncertainty arising due to ocean current or hydrodynamic parameter.

Elevated temperature crack growth

NASA Technical Reports Server (NTRS)

Kim, K. S.; Vanstone, R. H.; Malik, S. N.; Laflen, J. H.

1988-01-01

A study was performed to examine the applicability of path-independent (P-I) integrals to crack growth problems in hot section components of gas turbine aircraft engines. Alloy 718 was used and the experimental parameters included combined temperature and strain cycling, thermal gradients, elastic-plastic strain levels, and mean strains. A literature review was conducted of proposed P-I integrals, and those capable of analyzing hot section component problems were selected and programmed into the postprocessor of a finite element code. Detailed elastic-plastic finite element analyses were conducted to simulate crack growth and crack closure of the test specimen, and to evaluate the P-I integrals. It was shown that the selected P-I integrals are very effective for predicting crack growth for isothermal conditions.

Medial temporal lobe roles in human path integration.

PubMed

Yamamoto, Naohide; Philbeck, John W; Woods, Adam J; Gajewski, Daniel A; Arthur, Joeanna C; Potolicchio, Samuel J; Levy, Lucien; Caputy, Anthony J

2014-01-01

Path integration is a process in which observers derive their location by integrating self-motion signals along their locomotion trajectory. Although the medial temporal lobe (MTL) is thought to take part in path integration, the scope of its role for path integration remains unclear. To address this issue, we administered a variety of tasks involving path integration and other related processes to a group of neurosurgical patients whose MTL was unilaterally resected as therapy for epilepsy. These patients were unimpaired relative to neurologically intact controls in many tasks that required integration of various kinds of sensory self-motion information. However, the same patients (especially those who had lesions in the right hemisphere) walked farther than the controls when attempting to walk without vision to a previewed target. Importantly, this task was unique in our test battery in that it allowed participants to form a mental representation of the target location and anticipate their upcoming walking trajectory before they began moving. Thus, these results put forth a new idea that the role of MTL structures for human path integration may stem from their participation in predicting the consequences of one's locomotor actions. The strengths of this new theoretical viewpoint are discussed.

Medial Temporal Lobe Roles in Human Path Integration

PubMed Central

Yamamoto, Naohide; Philbeck, John W.; Woods, Adam J.; Gajewski, Daniel A.; Arthur, Joeanna C.; Potolicchio, Samuel J.; Levy, Lucien; Caputy, Anthony J.

2014-01-01

Path integration is a process in which observers derive their location by integrating self-motion signals along their locomotion trajectory. Although the medial temporal lobe (MTL) is thought to take part in path integration, the scope of its role for path integration remains unclear. To address this issue, we administered a variety of tasks involving path integration and other related processes to a group of neurosurgical patients whose MTL was unilaterally resected as therapy for epilepsy. These patients were unimpaired relative to neurologically intact controls in many tasks that required integration of various kinds of sensory self-motion information. However, the same patients (especially those who had lesions in the right hemisphere) walked farther than the controls when attempting to walk without vision to a previewed target. Importantly, this task was unique in our test battery in that it allowed participants to form a mental representation of the target location and anticipate their upcoming walking trajectory before they began moving. Thus, these results put forth a new idea that the role of MTL structures for human path integration may stem from their participation in predicting the consequences of one's locomotor actions. The strengths of this new theoretical viewpoint are discussed. PMID:24802000

Real-Time Rocket/Vehicle System Integrated Health Management Laboratory For Development and Testing of Health Monitoring/Management Systems

NASA Technical Reports Server (NTRS)

Aguilar, R.

2006-01-01

Pratt & Whitney Rocketdyne has developed a real-time engine/vehicle system integrated health management laboratory, or testbed, for developing and testing health management system concepts. This laboratory simulates components of an integrated system such as the rocket engine, rocket engine controller, vehicle or test controller, as well as a health management computer on separate general purpose computers. These general purpose computers can be replaced with more realistic components such as actual electronic controllers and valve actuators for hardware-in-the-loop simulation. Various engine configurations and propellant combinations are available. Fault or failure insertion capability on-the-fly using direct memory insertion from a user console is used to test system detection and response. The laboratory is currently capable of simulating the flow-path of a single rocket engine but work is underway to include structural and multiengine simulation capability as well as a dedicated data acquisition system. The ultimate goal is to simulate as accurately and realistically as possible the environment in which the health management system will operate including noise, dynamic response of the engine/engine controller, sensor time delays, and asynchronous operation of the various components. The rationale for the laboratory is also discussed including limited alternatives for demonstrating the effectiveness and safety of a flight system.

Path integrals and the WKB approximation in loop quantum cosmology

NASA Astrophysics Data System (ADS)

Ashtekar, Abhay; Campiglia, Miguel; Henderson, Adam

2010-12-01

We follow the Feynman procedure to obtain a path integral formulation of loop quantum cosmology starting from the Hilbert space framework. Quantum geometry effects modify the weight associated with each path so that the effective measure on the space of paths is different from that used in the Wheeler-DeWitt theory. These differences introduce some conceptual subtleties in arriving at the WKB approximation. But the approximation is well defined and provides intuition for the differences between loop quantum cosmology and the Wheeler-DeWitt theory from a path integral perspective.

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.

Master equations and the theory of stochastic path integrals

NASA Astrophysics Data System (ADS)

Weber, Markus F.; Frey, Erwin

2017-04-01

This review provides a pedagogic and self-contained introduction to master equations and to their representation by path integrals. Since the 1930s, master equations have served as a fundamental tool to understand the role of fluctuations in complex biological, chemical, and physical systems. Despite their simple appearance, analyses of master equations most often rely on low-noise approximations such as the Kramers-Moyal or the system size expansion, or require ad-hoc closure schemes for the derivation of low-order moment equations. We focus on numerical and analytical methods going beyond the low-noise limit and provide a unified framework for the study of master equations. After deriving the forward and backward master equations from the Chapman-Kolmogorov equation, we show how the two master equations can be cast into either of four linear partial differential equations (PDEs). Three of these PDEs are discussed in detail. The first PDE governs the time evolution of a generalized probability generating function whose basis depends on the stochastic process under consideration. Spectral methods, WKB approximations, and a variational approach have been proposed for the analysis of the PDE. The second PDE is novel and is obeyed by a distribution that is marginalized over an initial state. It proves useful for the computation of mean extinction times. The third PDE describes the time evolution of a ‘generating functional’, which generalizes the so-called Poisson representation. Subsequently, the solutions of the PDEs are expressed in terms of two path integrals: a ‘forward’ and a ‘backward’ path integral. Combined with inverse transformations, one obtains two distinct path integral representations of the conditional probability distribution solving the master equations. We exemplify both path integrals in analysing elementary chemical reactions. Moreover, we show how a well-known path integral representation of averaged observables can be recovered from them. Upon expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.

Master equations and the theory of stochastic path integrals.

PubMed

Weber, Markus F; Frey, Erwin

2017-04-01

This review provides a pedagogic and self-contained introduction to master equations and to their representation by path integrals. Since the 1930s, master equations have served as a fundamental tool to understand the role of fluctuations in complex biological, chemical, and physical systems. Despite their simple appearance, analyses of master equations most often rely on low-noise approximations such as the Kramers-Moyal or the system size expansion, or require ad-hoc closure schemes for the derivation of low-order moment equations. We focus on numerical and analytical methods going beyond the low-noise limit and provide a unified framework for the study of master equations. After deriving the forward and backward master equations from the Chapman-Kolmogorov equation, we show how the two master equations can be cast into either of four linear partial differential equations (PDEs). Three of these PDEs are discussed in detail. The first PDE governs the time evolution of a generalized probability generating function whose basis depends on the stochastic process under consideration. Spectral methods, WKB approximations, and a variational approach have been proposed for the analysis of the PDE. The second PDE is novel and is obeyed by a distribution that is marginalized over an initial state. It proves useful for the computation of mean extinction times. The third PDE describes the time evolution of a 'generating functional', which generalizes the so-called Poisson representation. Subsequently, the solutions of the PDEs are expressed in terms of two path integrals: a 'forward' and a 'backward' path integral. Combined with inverse transformations, one obtains two distinct path integral representations of the conditional probability distribution solving the master equations. We exemplify both path integrals in analysing elementary chemical reactions. Moreover, we show how a well-known path integral representation of averaged observables can be recovered from them. Upon expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.

Enhanced Contact Graph Routing (ECGR) MACHETE Simulation Model

NASA Technical Reports Server (NTRS)

Segui, John S.; Jennings, Esther H.; Clare, Loren P.

2013-01-01

Contact Graph Routing (CGR) for Delay/Disruption Tolerant Networking (DTN) space-based networks makes use of the predictable nature of node contacts to make real-time routing decisions given unpredictable traffic patterns. The contact graph will have been disseminated to all nodes before the start of route computation. CGR was designed for space-based networking environments where future contact plans are known or are independently computable (e.g., using known orbital dynamics). For each data item (known as a bundle in DTN), a node independently performs route selection by examining possible paths to the destination. Route computation could conceivably run thousands of times a second, so computational load is important. This work refers to the simulation software model of Enhanced Contact Graph Routing (ECGR) for DTN Bundle Protocol in JPL's MACHETE simulation tool. The simulation model was used for performance analysis of CGR and led to several performance enhancements. The simulation model was used to demonstrate the improvements of ECGR over CGR as well as other routing methods in space network scenarios. ECGR moved to using earliest arrival time because it is a global monotonically increasing metric that guarantees the safety properties needed for the solution's correctness since route re-computation occurs at each node to accommodate unpredicted changes (e.g., traffic pattern, link quality). Furthermore, using earliest arrival time enabled the use of the standard Dijkstra algorithm for path selection. The Dijkstra algorithm for path selection has a well-known inexpensive computational cost. These enhancements have been integrated into the open source CGR implementation. The ECGR model is also useful for route metric experimentation and comparisons with other DTN routing protocols particularly when combined with MACHETE's space networking models and Delay Tolerant Link State Routing (DTLSR) model.

PathCase-SB architecture and database design

PubMed Central

2011-01-01

Background Integration of metabolic pathways resources and regulatory metabolic network models, and deploying new tools on the integrated platform can help perform more effective and more efficient systems biology research on understanding the regulation in metabolic networks. Therefore, the tasks of (a) integrating under a single database environment regulatory metabolic networks and existing models, and (b) building tools to help with modeling and analysis are desirable and intellectually challenging computational tasks. Description PathCase Systems Biology (PathCase-SB) is built and released. The PathCase-SB database provides data and API for multiple user interfaces and software tools. The current PathCase-SB system provides a database-enabled framework and web-based computational tools towards facilitating the development of kinetic models for biological systems. PathCase-SB aims to integrate data of selected biological data sources on the web (currently, BioModels database and KEGG), and to provide more powerful and/or new capabilities via the new web-based integrative framework. This paper describes architecture and database design issues encountered in PathCase-SB's design and implementation, and presents the current design of PathCase-SB's architecture and database. Conclusions PathCase-SB architecture and database provide a highly extensible and scalable environment with easy and fast (real-time) access to the data in the database. PathCase-SB itself is already being used by researchers across the world. PMID:22070889

V/STOL Systems Research Aircraft: A Tool for Cockpit Integration

NASA Technical Reports Server (NTRS)

Stortz, Michael W.; ODonoghue, Dennis P.; Tiffany, Geary (Technical Monitor)

1995-01-01

The next generation ASTOVL aircraft will have a complicated propulsion System. The configuration choices include Direct Lift, Lift-Fan and Lift+Lift /Cruise but the aircraft must also have supersonic performance and low-observable characteristics. The propulsion system may have features such as flow blockers, vectoring nozzles and flow transfer schemes. The flight control system will necessarily fully integrate the aerodynamic surfaces and the propulsive elements. With a fully integrated, fly-by-wire flight/propulsion control system, the options for cockpit integration are interesting and varied. It is possible to decouple longitudinal and vertical responses allowing the pilot to close the loop on flight path and flight path acceleration directly. In the hover, the pilot can control the translational rate directly without having to stabilize the inner rate and attitude loops. The benefit of this approach, reduced workload and increased precision. has previously been demonstrated through several motion-based simulations. In order to prove the results in flight, the V/STOL System Research Aircraft (VSRA) was developed at the NASA Ames Research Center. The VSRA is the YAV-8B Prototype modified with a research flight control system using a series-parallel servo configuration in all the longitudinal degrees of freedom (including thrust and thrust vector angle) to provide an integrated flight and propulsion control system in a limited envelope. Development of the system has been completed and flight evaluations of the response types have been performed. In this paper we will discuss the development of the VSRA, the evolution of the flight path command and translational rate command response types and the Guest Pilot evaluations of the system. Pilot evaluation results will be used to draw conclusions regarding the suitability of the system to satisfy V/STOL requirements.

Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.

PubMed

Gao, Jiali; Major, Dan T; Fan, Yao; Lin, Yen-Lin; Ma, Shuhua; Wong, Kin-Yiu

2008-01-01

A method for incorporating quantum mechanics into enzyme kinetics modeling is presented. Three aspects are emphasized: 1) combined quantum mechanical and molecular mechanical methods are used to represent the potential energy surface for modeling bond forming and breaking processes, 2) instantaneous normal mode analyses are used to incorporate quantum vibrational free energies to the classical potential of mean force, and 3) multidimensional tunneling methods are used to estimate quantum effects on the reaction coordinate motion. Centroid path integral simulations are described to make quantum corrections to the classical potential of mean force. In this method, the nuclear quantum vibrational and tunneling contributions are not separable. An integrated centroid path integral-free energy perturbation and umbrella sampling (PI-FEP/UM) method along with a bisection sampling procedure was summarized, which provides an accurate, easily convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. In the ensemble-averaged variational transition state theory with multidimensional tunneling (EA-VTST/MT), these three aspects of quantum mechanical effects can be individually treated, providing useful insights into the mechanism of enzymatic reactions. These methods are illustrated by applications to a model process in the gas phase, the decarboxylation reaction of N-methyl picolinate in water, and the proton abstraction and reprotonation process catalyzed by alanine racemase. These examples show that the incorporation of quantum mechanical effects is essential for enzyme kinetics simulations.

An integrated biomechanical modeling approach to the ergonomic evaluation of drywall installation.

PubMed

Yuan, Lu; Buchholz, Bryan; Punnett, Laura; Kriebel, David

2016-03-01

Three different methodologies: work sampling, computer simulation and biomechanical modeling, were integrated to study the physical demands of drywall installation. PATH (Posture, Activity, Tools, and Handling), a work-sampling based method, was used to quantify the percent of time that the drywall installers were conducting different activities with different body segment (trunk, arm, and leg) postures. Utilizing Monte-Carlo simulation to convert the categorical PATH data into continuous variables as inputs for the biomechanical models, the required muscle contraction forces and joint reaction forces at the low back (L4/L5) and shoulder (glenohumeral and sternoclavicular joints) were estimated for a typical eight-hour workday. To demonstrate the robustness of this modeling approach, a sensitivity analysis was conducted to examine the impact of some quantitative assumptions that have been made to facilitate the modeling approach. The results indicated that the modeling approach seemed to be the most sensitive to both the distribution of work cycles for a typical eight-hour workday and the distribution and values of Euler angles that are used to determine the "shoulder rhythm." Other assumptions including the distribution of trunk postures did not appear to have a significant impact on the model outputs. It was concluded that the integrated approach might provide an applicable examination of physical loads during the non-routine construction work, especially for those operations/tasks that have certain patterns/sequences for the workers to follow. Copyright © 2015 Elsevier Ltd and The Ergonomics Society. All rights reserved.

Simulation Tools for Digital LSI (Large Scale Integration) Design.

DTIC Science & Technology

1983-09-01

potential paths e:,,t from a t.,sde to t alnd (,A I isl gc’, , that It iioht he coton ilci, ilt d I:eriniiie d f ’ Ti.. ’he o diti ns for %0l’h , i p th...the flag is set during an execution of the code, another iteration is performed; otherwise, the subroutine is finished . The following is an extended

Modeling the hydro-mechanical responses of strip and circular punch loadings on water-saturated collapsible geomaterials

DOE PAGES

Sun, WaiChing; Chen, Qiushi; Ostien, Jakob T.

2013-11-22

A stabilized enhanced strain finite element procedure for poromechanics is fully integrated with an elasto-plastic cap model to simulate the hydro-mechanical interactions of fluid-infiltrating porous rocks with associative and non-associative plastic flow. We present a quantitative analysis on how macroscopic plastic volumetric response caused by pore collapse and grain rearrangement affects the seepage of pore fluid, and vice versa. Results of finite element simulations imply that the dissipation of excess pore pressure may significantly affect the stress path and thus alter the volumetric plastic responses.

String method for calculation of minimum free-energy paths in Cartesian space in freely-tumbling systems.

PubMed

Branduardi, Davide; Faraldo-Gómez, José D

2013-09-10

The string method is a molecular-simulation technique that aims to calculate the minimum free-energy path of a chemical reaction or conformational transition, in the space of a pre-defined set of reaction coordinates that is typically highly dimensional. Any descriptor may be used as a reaction coordinate, but arguably the Cartesian coordinates of the atoms involved are the most unprejudiced and intuitive choice. Cartesian coordinates, however, present a non-trivial problem, in that they are not invariant to rigid-body molecular rotations and translations, which ideally ought to be unrestricted in the simulations. To overcome this difficulty, we reformulate the framework of the string method to integrate an on-the-fly structural-alignment algorithm. This approach, referred to as SOMA (String method with Optimal Molecular Alignment), enables the use of Cartesian reaction coordinates in freely tumbling molecular systems. In addition, this scheme permits the dissection of the free-energy change along the most probable path into individual atomic contributions, thus revealing the dominant mechanism of the simulated process. This detailed analysis also provides a physically-meaningful criterion to coarse-grain the representation of the path. To demonstrate the accuracy of the method we analyze the isomerization of the alanine dipeptide in vacuum and the chair-to-inverted-chair transition of β -D mannose in explicit water. Notwithstanding the simplicity of these systems, the SOMA approach reveals novel insights into the atomic mechanism of these isomerizations. In both cases, we find that the dynamics and the energetics of these processes are controlled by interactions involving only a handful of atoms in each molecule. Consistent with this result, we show that a coarse-grained SOMA calculation defined in terms of these subsets of atoms yields nearidentical minimum free-energy paths and committor distributions to those obtained via a highly-dimensional string.

String method for calculation of minimum free-energy paths in Cartesian space in freely-tumbling systems

PubMed Central

Branduardi, Davide; Faraldo-Gómez, José D.

2014-01-01

The string method is a molecular-simulation technique that aims to calculate the minimum free-energy path of a chemical reaction or conformational transition, in the space of a pre-defined set of reaction coordinates that is typically highly dimensional. Any descriptor may be used as a reaction coordinate, but arguably the Cartesian coordinates of the atoms involved are the most unprejudiced and intuitive choice. Cartesian coordinates, however, present a non-trivial problem, in that they are not invariant to rigid-body molecular rotations and translations, which ideally ought to be unrestricted in the simulations. To overcome this difficulty, we reformulate the framework of the string method to integrate an on-the-fly structural-alignment algorithm. This approach, referred to as SOMA (String method with Optimal Molecular Alignment), enables the use of Cartesian reaction coordinates in freely tumbling molecular systems. In addition, this scheme permits the dissection of the free-energy change along the most probable path into individual atomic contributions, thus revealing the dominant mechanism of the simulated process. This detailed analysis also provides a physically-meaningful criterion to coarse-grain the representation of the path. To demonstrate the accuracy of the method we analyze the isomerization of the alanine dipeptide in vacuum and the chair-to-inverted-chair transition of β-D mannose in explicit water. Notwithstanding the simplicity of these systems, the SOMA approach reveals novel insights into the atomic mechanism of these isomerizations. In both cases, we find that the dynamics and the energetics of these processes are controlled by interactions involving only a handful of atoms in each molecule. Consistent with this result, we show that a coarse-grained SOMA calculation defined in terms of these subsets of atoms yields nearidentical minimum free-energy paths and committor distributions to those obtained via a highly-dimensional string. PMID:24729762

The path dependency theory: analytical framework to study institutional integration. The case of France.

PubMed

Trouvé, Hélène; Couturier, Yves; Etheridge, Francis; Saint-Jean, Olivier; Somme, Dominique

2010-06-30

The literature on integration indicates the need for an enhanced theorization of institutional integration. This article proposes path dependence as an analytical framework to study the systems in which integration takes place. PRISMA proposes a model for integrating health and social care services for older adults. This model was initially tested in Quebec. The PRISMA France study gave us an opportunity to analyze institutional integration in France. A qualitative approach was used. Analyses were based on semi-structured interviews with actors of all levels of decision-making, observations of advisory board meetings, and administrative documents. Our analyses revealed the complexity and fragmentation of institutional integration. The path dependency theory, which analyzes the change capacity of institutions by taking into account their historic structures, allows analysis of this situation. The path dependency to the Bismarckian system and the incomplete reforms of gerontological policies generate the coexistence and juxtaposition of institutional systems. In such a context, no institution has sufficient ability to determine gerontology policy and build institutional integration by itself. Using path dependence as an analytical framework helps to understand the reasons why institutional integration is critical to organizational and clinical integration, and the complex construction of institutional integration in France.

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.

Task Assignment and Path Planning for Multiple Autonomous Underwater Vehicles Using 3D Dubins Curves †

PubMed Central

Zhang, Meiyan; Zheng, Yahong Rosa

2017-01-01

This paper investigates the task assignment and path planning problem for multiple AUVs in three dimensional (3D) underwater wireless sensor networks where nonholonomic motion constraints of underwater AUVs in 3D space are considered. The multi-target task assignment and path planning problem is modeled by the Multiple Traveling Sales Person (MTSP) problem and the Genetic Algorithm (GA) is used to solve the MTSP problem with Euclidean distance as the cost function and the Tour Hop Balance (THB) or Tour Length Balance (TLB) constraints as the stop criterion. The resulting tour sequences are mapped to 2D Dubins curves in the X−Y plane, and then interpolated linearly to obtain the Z coordinates. We demonstrate that the linear interpolation fails to achieve G1 continuity in the 3D Dubins path for multiple targets. Therefore, the interpolated 3D Dubins curves are checked against the AUV dynamics constraint and the ones satisfying the constraint are accepted to finalize the 3D Dubins curve selection. Simulation results demonstrate that the integration of the 3D Dubins curve with the MTSP model is successful and effective for solving the 3D target assignment and path planning problem. PMID:28696377

Task Assignment and Path Planning for Multiple Autonomous Underwater Vehicles Using 3D Dubins Curves †.

PubMed

Cai, Wenyu; Zhang, Meiyan; Zheng, Yahong Rosa

2017-07-11

This paper investigates the task assignment and path planning problem for multiple AUVs in three dimensional (3D) underwater wireless sensor networks where nonholonomic motion constraints of underwater AUVs in 3D space are considered. The multi-target task assignment and path planning problem is modeled by the Multiple Traveling Sales Person (MTSP) problem and the Genetic Algorithm (GA) is used to solve the MTSP problem with Euclidean distance as the cost function and the Tour Hop Balance (THB) or Tour Length Balance (TLB) constraints as the stop criterion. The resulting tour sequences are mapped to 2D Dubins curves in the X - Y plane, and then interpolated linearly to obtain the Z coordinates. We demonstrate that the linear interpolation fails to achieve G 1 continuity in the 3D Dubins path for multiple targets. Therefore, the interpolated 3D Dubins curves are checked against the AUV dynamics constraint and the ones satisfying the constraint are accepted to finalize the 3D Dubins curve selection. Simulation results demonstrate that the integration of the 3D Dubins curve with the MTSP model is successful and effective for solving the 3D target assignment and path planning problem.

Integrated RF-shim coil allowing two degrees of freedom shim current.

PubMed

Jiazheng Zhou; Ying-Hua Chu; Yi-Cheng Hsu; Pu-Yeh Wu; Stockmann, Jason P; Fa-Hsuan Lin

2016-08-01

High-quality magnetic resonance imaging and spectroscopic measurements require a highly homogeneous magnetic field. Different from global shimming, localized off-resonance can be corrected by using multi-coil shimming. Previously, integrated RF and shimming coils have been used to implement multi-coil shimming. Such coils share the same conductor for RF signal reception and shim field generation. Here we propose a new design of the integrated RF-shim coil at 3-tesla, where two independent shim current paths are allowed in each coil. This coil permits a higher degree of freedom in shim current distribution design. We use both phantom experiments and simulations to demonstrate the feasibility of this new design.

Determining integral density distribution in the mach reflection of shock waves

NASA Astrophysics Data System (ADS)

Shevchenko, A. M.; Golubev, M. P.; Pavlov, A. A.; Pavlov, Al. A.; Khotyanovsky, D. V.; Shmakov, A. S.

2017-05-01

We present a method for and results of determination of the field of integral density in the structure of flow corresponding to the Mach interaction of shock waves at Mach number M = 3. The optical diagnostics of flow was performed using an interference technique based on self-adjusting Zernike filters (SA-AVT method). Numerical simulations were carried out using the CFS3D program package for solving the Euler and Navier-Stokes equations. Quantitative data on the distribution of integral density on the path of probing radiation in one direction of 3D flow transillumination in the region of Mach interaction of shock waves were obtained for the first time.

Elevated temperature crack growth

NASA Technical Reports Server (NTRS)

Malik, S. N.; Vanstone, R. H.; Kim, K. S.; Laflen, J. H.

1986-01-01

It is necessary to relate the processes that control crack growth in the immediate vicinity of the crack tip to parameters that can be calculated from remote quantities, such as forces, stresses, or displacements. The most likely parameters appear to be certain path-independent (PI) integrals, several of which have already been proposed for application to high temperature inelastic problems. The ability of currently available PI-integrals to correlate fatigue crack propagation under conditions that simulate the engine combustor liner environment was determined. The utility of advanced fracture mechanics measurements will also be evaluated and determined during the course of the program.

Second-order discrete Kalman filtering equations for control-structure interaction simulations

NASA Technical Reports Server (NTRS)

Park, K. C.; Belvin, W. Keith; Alvin, Kenneth F.

1991-01-01

A general form for the first-order representation of the continuous, second-order linear structural dynamics equations is introduced in order to derive a corresponding form of first-order Kalman filtering equations (KFE). Time integration of the resulting first-order KFE is carried out via a set of linear multistep integration formulas. It is shown that a judicious combined selection of computational paths and the undetermined matrices introduced in the general form of the first-order linear structural systems leads to a class of second-order discrete KFE involving only symmetric, N x N solution matrix.

Two-path plasmonic interferometer with integrated detector

DOEpatents

Dyer, Gregory Conrad; Shaner, Eric A.; Aizin, Gregory

2016-03-29

An electrically tunable terahertz two-path plasmonic interferometer with an integrated detection element can down convert a terahertz field to a rectified DC signal. The integrated detector utilizes a resonant plasmonic homodyne mixing mechanism that measures the component of the plasma waves in-phase with an excitation field that functions as the local oscillator in the mixer. The plasmonic interferometer comprises two independently tuned electrical paths. The plasmonic interferometer enables a spectrometer-on-a-chip where the tuning of electrical path length plays an analogous role to that of physical path length in macroscopic Fourier transform interferometers.

The path integral on the pseudosphere

NASA Astrophysics Data System (ADS)

Grosche, C.; Steiner, F.

1988-02-01

A rigorous path integral treatment for the d-dimensional pseudosphere Λd-1 , a Riemannian manifold of constant negative curvature, is presented. The path integral formulation is based on a canonical approach using Weyl-ordering and the Hamiltonian path integral defined on midpoints. The time-dependent and energy-dependent Feynman kernels obtain different expressions in the even- and odd-dimensional cases, respectively. The special case of the three-dimensional pseudosphere, which is analytically equivalent to the Poincaré upper half plane, the Poincaré disc, and the hyperbolic strip, is discussed in detail including the energy spectrum and the normalised wave-functions.

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 .

Path-integral analysis of the time delay for wave-packet scattering and the status of complex tunneling times

NASA Astrophysics Data System (ADS)

Sokolovski, D.; Connor, J. N. L.

1990-12-01

The wave-packet simulation (WPS) method for calculating the time a tunneling particle spends inside a one-dimensional potential barrier is reexamined using the Feynman path-integral technique. Following earlier work by Sokolovski and Baskin [Phys. Rev. A 36, 4604 (1987)], the tunneling (or traversal) time tTpack is defined as a matrix element of a classical nonlocal functional between two states that represent the initial and transmitted wave packets. These states do not lie on the same orbit in Hilbert space; as a result, tTpack is complex-valued. It is shown that RetTpack reduces to the standard WPS result, tTphase, for conditions similar to those employed in the conventional WPS analysis. Similarly, ImtTpack is shown to contain information about the energy dependence of the transmission probability. Under semiclassical conditions, ImtTpack reduces to the well-known Wentzel-Kramers-Brillouin expression for the tunneling time. It is shown there are different definitions for the traversal time of a classical moving object, whose size is comparable to the width of the region of interest. In the quantum case, these different definitions correspond to different ways of analyzing the WPS experiment. The path-integral approach demonstrates that the tunneling-time problem is one of understanding the physical significance of complex-valued off-orbit matrix elements of an operator or functional. The physical content of complex-valued tunneling times is discussed. It is emphasized that the use of complex tunneling times includes real-time approaches as a special case. Nevertheless, there is a limitation in the description of tunneling experiments using tunneling times, whether real or complex. The path-integral approach does not supply a universal traversal time, analogous to a classical time, that can be used in quantum situations. It is demonstrated that the often expressed hope of finding a well-defined and universal real tunneling time is erroneous.

Wave optics simulation of atmospheric turbulence and reflective speckle effects in carbon dioxide lidar

NASA Astrophysics Data System (ADS)

Nelson, Douglas Harold

Laser speckle can influence lidar measurements from a diffuse hard target. Atmospheric optical turbulence will also affect the lidar return signal. This investigation develops a numerical simulation that models the propagation of a lidar beam and accounts for both reflective speckle and atmospheric turbulence effects. The simulation, previously utilized to simulate the effects of atmospheric optical turbulence alone, is based on implementing a Huygens-Fresnel approximation to laser propagation. A series of phase screens, with the appropriate atmospheric statistical characteristics, is used to simulate the effect of atmospheric optical turbulence. A single random phase screen is used to simulate scattering of the entire beam from a rough surface. These investigations compare the output of the numerical model with separate CO2 lidar measurements of atmospheric turbulence and reflective speckle. This work also compares the output of the model with separate analytical predictions for atmospheric turbulence and reflective speckle. Good agreement is found between the model and the experimental data. Good agreement is also found with analytical predictions. Additionally, results of simulation of the combined effects on a finite aperture lidar system show agreement with experimental observations of increasing RMS noise with increasing turbulence level and the behavior of the experimental integrated intensity probability distribution. Simulation studies are included that demonstrate the usefulness of the model, examine its limitations and provide greater insight into the process of combined atmospheric optical turbulence and reflective speckle. One highlight of these studies is examination of the limitations of the simulation that shows, in general, precision increases with increasing grid size. The study of the backscatter intensity enhancement predicted by analytical theory show it to behave as a multi-path effect, like scintillation, with the highest contributions from atmospheric optical turbulence weighted at the middle of the propagation path. Aperture geometry also affects the signal-to-noise ratio with thin annular apertures exhibiting lower RMS noise than circular apertures of the same active area. The simulation is capable of studying a variety of lidar schemes including varying atmospheric optical turbulence along the propagation path as well as diverse transmitter and receiver geometries.

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.

Measurement of tracer gas distributions using an open-path FTIR system coupled with computed tomography

NASA Astrophysics Data System (ADS)

Drescher, Anushka C.; Yost, Michael G.; Park, Doo Y.; Levine, Steven P.; Gadgil, Ashok J.; Fischer, Marc L.; Nazaroff, William W.

1995-05-01

Optical remote sensing and iterative computed tomography (CT) can be combined to measure the spatial distribution of gaseous pollutant concentrations in a plane. We have conducted chamber experiments to test this combination of techniques using an Open Path Fourier Transform Infrared Spectrometer (OP-FTIR) and a standard algebraic reconstruction technique (ART). ART was found to converge to solutions that showed excellent agreement with the ray integral concentrations measured by the FTIR but were inconsistent with simultaneously gathered point sample concentration measurements. A new CT method was developed based on (a) the superposition of bivariate Gaussians to model the concentration distribution and (b) a simulated annealing minimization routine to find the parameters of the Gaussians that resulted in the best fit to the ray integral concentration data. This new method, named smooth basis function minimization (SBFM) generated reconstructions that agreed well, both qualitatively and quantitatively, with the concentration profiles generated from point sampling. We present one set of illustrative experimental data to compare the performance of ART and SBFM.

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.

Computation of rare transitions in the barotropic quasi-geostrophic equations

NASA Astrophysics Data System (ADS)

Laurie, Jason; Bouchet, Freddy

2015-01-01

We investigate the theoretical and numerical computation of rare transitions in simple geophysical turbulent models. We consider the barotropic quasi-geostrophic and two-dimensional Navier-Stokes equations in regimes where bistability between two coexisting large-scale attractors exist. By means of large deviations and instanton theory with the use of an Onsager-Machlup path integral formalism for the transition probability, we show how one can directly compute the most probable transition path between two coexisting attractors analytically in an equilibrium (Langevin) framework and numerically otherwise. We adapt a class of numerical optimization algorithms known as minimum action methods to simple geophysical turbulent models. We show that by numerically minimizing an appropriate action functional in a large deviation limit, one can predict the most likely transition path for a rare transition between two states. By considering examples where theoretical predictions can be made, we show that the minimum action method successfully predicts the most likely transition path. Finally, we discuss the application and extension of such numerical optimization schemes to the computation of rare transitions observed in direct numerical simulations and experiments and to other, more complex, turbulent systems.

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.

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.

Conceptualization of preferential flow for hillslope stability assessment

NASA Astrophysics Data System (ADS)

Kukemilks, Karlis; Wagner, Jean-Frank; Saks, Tomas; Brunner, Philip

2018-03-01

This study uses two approaches to conceptualize preferential flow with the goal to investigate their influence on hillslope stability. Synthetic three-dimensional hydrogeological models using dual-permeability and discrete-fracture conceptualization were subsequently integrated into slope stability simulations. The slope stability simulations reveal significant differences in slope stability depending on the preferential flow conceptualization applied, despite similar small-scale hydrogeological responses of the system. This can be explained by a local-scale increase of pore-water pressures observed in the scenario with discrete fractures. The study illustrates the critical importance of correctly conceptualizing preferential flow for slope stability simulations. It further demonstrates that the combination of the latest generation of physically based hydrogeological models with slope stability simulations allows for improvement to current modeling approaches through more complex consideration of preferential flow paths.

Path integrals, supersymmetric quantum mechanics, and the Atiyah-Singer index theorem for twisted Dirac

NASA Astrophysics Data System (ADS)

Fine, Dana S.; Sawin, Stephen

2017-01-01

Feynman's time-slicing construction approximates the path integral by a product, determined by a partition of a finite time interval, of approximate propagators. This paper formulates general conditions to impose on a short-time approximation to the propagator in a general class of imaginary-time quantum mechanics on a Riemannian manifold which ensure that these products converge. The limit defines a path integral which agrees pointwise with the heat kernel for a generalized Laplacian. The result is a rigorous construction of the propagator for supersymmetric quantum mechanics, with potential, as a path integral. Further, the class of Laplacians includes the square of the twisted Dirac operator, which corresponds to an extension of N = 1/2 supersymmetric quantum mechanics. General results on the rate of convergence of the approximate path integrals suffice in this case to derive the local version of the Atiyah-Singer index theorem.

The path integral on the Poincaré upper half-plane with a magnetic field and for the Morse potential

NASA Astrophysics Data System (ADS)

Grosche, Christian

1988-10-01

Rigorous path integral treatments on the Poincaré upper half-plane with a magnetic field and for the Morse potential are presented. The calculation starts with the path integral on the Poincaré upper half-plane with a magnetic field. By a Fourier expansion and a non-linear transformation this problem is reformulated in terms of the path integral for the Morse potential. This latter problem can be reduced by an appropriate space-time transformation to the path integral for the harmonic oscillator with generalised angular momentum, a technique which has been developed in recent years. The well-known solution for the last problem enables one to give explicit expressions for the Feynman kernels for the Morse potential and for the Poincaré upper half-plane with magnetic field, respectively. The wavefunctions and the energy spectrum for the bound and scattering states are given, respectively.

Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials

NASA Astrophysics Data System (ADS)

Lindoy, Lachlan P.; Kolmann, Stephen J.; D'Arcy, Jordan H.; Crittenden, Deborah L.; Jordan, Meredith J. T.

2015-11-01

Finite temperature quantum and anharmonic effects are studied in H2-Li+-benzene, a model hydrogen storage material, using path integral Monte Carlo (PIMC) simulations on an interpolated potential energy surface refined over the eight intermolecular degrees of freedom based upon M05-2X/6-311+G(2df,p) density functional theory calculations. Rigid-body PIMC simulations are performed at temperatures ranging from 77 K to 150 K, producing both quantum and classical probability density histograms describing the adsorbed H2. Quantum effects broaden the histograms with respect to their classical analogues and increase the expectation values of the radial and angular polar coordinates describing the location of the center-of-mass of the H2 molecule. The rigid-body PIMC simulations also provide estimates of the change in internal energy, ΔUads, and enthalpy, ΔHads, for H2 adsorption onto Li+-benzene, as a function of temperature. These estimates indicate that quantum effects are important even at room temperature and classical results should be interpreted with caution. Our results also show that anharmonicity is more important in the calculation of U and H than coupling—coupling between the intermolecular degrees of freedom becomes less important as temperature increases whereas anharmonicity becomes more important. The most anharmonic motions in H2-Li+-benzene are the "helicopter" and "ferris wheel" H2 rotations. Treating these motions as one-dimensional free and hindered rotors, respectively, provides simple corrections to standard harmonic oscillator, rigid rotor thermochemical expressions for internal energy and enthalpy that encapsulate the majority of the anharmonicity. At 150 K, our best rigid-body PIMC estimates for ΔUads and ΔHads are -13.3 ± 0.1 and -14.5 ± 0.1 kJ mol-1, respectively.

Liquid Crystal Spatial Light Modulators for Simulating Zonal Multifocal Lenses.

PubMed

Li, Yiyu; Bradley, Arthur; Xu, Renfeng; Kollbaum, Pete S

2017-09-01

To maximize efficiency of the normally lengthy and costly multizone lens design and testing process, it is advantageous to evaluate the potential efficacy of a design as thoroughly as possible prior to lens fabrication and on-eye testing. The current work describes an ex vivo approach of optical design testing. The aim of this study was to describe a system capable of examining the optical characteristics of multizone bifocal and multifocal optics by subaperture stitching using liquid crystal technologies. A liquid crystal spatial light modulator (SLM) was incorporated in each of two channels to generate complementary subapertures by amplitude modulation. Additional trial lenses and phase plates were placed in pupil conjugate planes of either channel to integrate the desired bifocal and multifocal optics once the two optical paths were recombined. A high-resolution Shack-Hartmann aberrometer was integrated to measure the optics of the dual-channel system. Power and wavefront error maps as well as point spread functions were measured and computed for each of three multizone multifocal designs. High transmission modulation was achieved by introducing half-wavelength optical path differences to create two- and five-zone bifocal apertures. Dual-channel stitching revealed classic annular rings in the point spread functions generated from two-zone designs when the outer annular optic was defocused. However, low efficiency of the SLM prevented us from simultaneously measuring the eye + simulator aberrations, and the higher-order diffraction patterns generated by the cellular structure of the liquid crystal arrays limited the visual field to ±0.45 degrees. The system successfully simulated bifocal and multifocal simultaneous lenses allowing for future evaluation of both objective and subjective evaluation of complex optical designs. However, low efficiency and diffraction phenomena of the SLM limit the utility of this technology for simulating multizone and multifocal optics.

A hydrogeologic approach to identify land uses that overlie ground-water flow paths, Broward County, Florida

USGS Publications Warehouse

Sonenshein, R.S.

1995-01-01

A hydrogeologic approach that integrates the use of hydrogeologic and spatial tools aids in the identification of land uses that overlie ground- water flow paths and permits a better understanding of ground-water flow systems. A mathematical model was used to simulate the ground-water flow system in Broward County, particle-tracking software was used to determine flow paths leading to the monitor wells in Broward County, and a Geographic Information System was used to identify which land uses overlie the flow paths. A procedure using a geographic information system to evaluate the output from a ground-water flow model has been documented. The ground-water flow model was used to represent steady-state conditions during selected wet- and dry-season months, and an advective flow particle- tracking program was used to simulate the direction of ground-water flow in the aquifer system. Digital spatial data layers were created from the particle pathlines that lead to the vicinity of the open interval of selected wells in the Broward County ground-water quality monitoring network. Buffer zone data layers were created, surrounding the particle pathlines to represent the area of contribution to the water sampled from the monitor wells. Spatial data layers, combined with a land-use data layer, were used to identify the land uses that overlie the ground-water flow paths leading to the monitor wells. The simulation analysis was performed on five Broward County wells with different hydraulic parameters to determine the source of ground-water stress, determine selected particle pathlines, and identify land use in buffer zones in the vicinity of the wells. The flow paths that lead to the grid cells containing wells G-2355, G-2373, and G-2373A did not vary between the wet- and dry-season conditions. Changes in the area of contribution for wells G-2345X and G-2369 were attributed to variations in rainfall patterns, well-field pumpage, and surface-water management practices. Additionally, using a different open interval at a site, such as for wells G-2373 and G-2373A, can result in a very different area that overlies the flow path leading to the monitor well.

The path dependency theory: analytical framework to study institutional integration. The case of France

PubMed Central

Trouvé, Hélène; Couturier, Yves; Etheridge, Francis; Saint-Jean, Olivier; Somme, Dominique

2010-01-01

Background The literature on integration indicates the need for an enhanced theorization of institutional integration. This article proposes path dependence as an analytical framework to study the systems in which integration takes place. Purpose PRISMA proposes a model for integrating health and social care services for older adults. This model was initially tested in Quebec. The PRISMA France study gave us an opportunity to analyze institutional integration in France. Methods A qualitative approach was used. Analyses were based on semi-structured interviews with actors of all levels of decision-making, observations of advisory board meetings, and administrative documents. Results Our analyses revealed the complexity and fragmentation of institutional integration. The path dependency theory, which analyzes the change capacity of institutions by taking into account their historic structures, allows analysis of this situation. The path dependency to the Bismarckian system and the incomplete reforms of gerontological policies generate the coexistence and juxtaposition of institutional systems. In such a context, no institution has sufficient ability to determine gerontology policy and build institutional integration by itself. Conclusion Using path dependence as an analytical framework helps to understand the reasons why institutional integration is critical to organizational and clinical integration, and the complex construction of institutional integration in France. PMID:20689740

Integrated Turbine Tip Clearance and Gas Turbine Engine Simulation

NASA Technical Reports Server (NTRS)

Chapman, Jeffryes W.; Kratz, Jonathan; Guo, Ten-Huei; Litt, Jonathan

2016-01-01

Gas turbine compressor and turbine blade tip clearance (i.e., the radial distance between the blade tip of an axial compressor or turbine and the containment structure) is a major contributing factor to gas path sealing, and can significantly affect engine efficiency and operational temperature. This paper details the creation of a generic but realistic high pressure turbine tip clearance model that may be used to facilitate active tip clearance control system research. This model uses a first principles approach to approximate thermal and mechanical deformations of the turbine system, taking into account the rotor, shroud, and blade tip components. Validation of the tip clearance model shows that the results are realistic and reflect values found in literature. In addition, this model has been integrated with a gas turbine engine simulation, creating a platform to explore engine performance as tip clearance is adjusted. Results from the integrated model explore the effects of tip clearance on engine operation and highlight advantages of tip clearance management.

Fiber-linked telescope array: description and laboratory tests of a two-channel prototype

NASA Astrophysics Data System (ADS)

Alleman, J. J.; Reynaud, F.; Connes, P.

1995-05-01

We present a complete two-telescope version of a fiber-linked coherent array that is meant to be used for mounting on the dish of a radio telescope. This was built with 20-cm amateur telescopes and includes three different servo subsystems for guiding, nulling of the air path difference, and fiber length control. Laboratory tests of the fully integrated system in front of a star simulator are described.

Crystal structure of solid molecular hydrogen under high pressures

NASA Astrophysics Data System (ADS)

Cui, T.; Ma, Y.; Zou, G.

2002-11-01

In an effort to achieve a comprehensive understanding of the structure of dense H2, we have performed path-integral Monte Carlo simulations for three combinations of pressures and temperatures corresponding to three phases of solid hydrogen. Our results suggest three kinds of distribution of molecules: orientationally disordered hexagonal close packed (hcp), orientationally ordered hcp with Pa3-type local orientation order and orientationally ordered orthorhombic structure of Cmca symmetry, for the three phases.

Mnemonic discrimination relates to perforant path integrity: An ultra-high resolution diffusion tensor imaging study.

PubMed

Bennett, Ilana J; Stark, Craig E L

2016-03-01

Pattern separation describes the orthogonalization of similar inputs into unique, non-overlapping representations. This computational process is thought to serve memory by reducing interference and to be mediated by the dentate gyrus of the hippocampus. Using ultra-high in-plane resolution diffusion tensor imaging (hrDTI) in older adults, we previously demonstrated that integrity of the perforant path, which provides input to the dentate gyrus from entorhinal cortex, was associated with mnemonic discrimination, a behavioral outcome designed to load on pattern separation. The current hrDTI study assessed the specificity of this perforant path integrity-mnemonic discrimination relationship relative to other cognitive constructs (identified using a factor analysis) and white matter tracts (hippocampal cingulum, fornix, corpus callosum) in 112 healthy adults (20-87 years). Results revealed age-related declines in integrity of the perforant path and other medial temporal lobe (MTL) tracts (hippocampal cingulum, fornix). Controlling for global effects of brain aging, perforant path integrity related only to the factor that captured mnemonic discrimination performance. Comparable integrity-mnemonic discrimination relationships were also observed for the hippocampal cingulum and fornix. Thus, whereas perforant path integrity specifically relates to mnemonic discrimination, mnemonic discrimination may be mediated by a broader MTL network. Copyright © 2015 Elsevier Inc. All rights reserved.

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.

Data-Driven Modeling of Solar Corona by a New 3d Path-Conservative Osher-Solomon MHD Odel

NASA Astrophysics Data System (ADS)

Feng, X. S.; Li, C.

2017-12-01

A second-order path-conservative scheme with Godunov-type finite volume method (FVM) has been implemented to advance the equations of single-fluid solar wind plasma magnetohydrodynamics (MHD) in time. This code operates on the six-component composite grid system in 3D spherical coordinates with hexahedral cells of quadrilateral frustum type. The generalized Osher-Solomon Riemann solver is employed based on a numerical integration of the path-dependentdissipation matrix. For simplicity, the straight line segment path is used and the path-integral is evaluated in a fully numerical way by high-order numerical Gauss-Legendre quadrature. Besides its closest similarity to Godunov, the resulting scheme retains the attractive features of the original solver: it is nonlinear, free of entropy-fix, differentiable and complete in that each characteristic field results in a different numerical viscosity, due to the full use of the MHD eigenstructure. By using a minmod limiter for spatial oscillation control, the pathconservative scheme is realized for the generalized Lagrange multiplier (GLM) and the extended generalized Lagrange multiplier (EGLM) formulation of solar wind MHD systems. This new model of second-order in space and time is written in FORTRAN language with Message Passing Interface (MPI) parallelization, and validated in modeling time-dependent large-scale structure of solar corona, driven continuously by the Global Oscillation Network Group (GONG) data. To demonstrate the suitability of our code for the simulation of solar wind, we present selected results from October 9th, 2009 to December 29th, 2009 , & Year 2008 to show its capability of producing structured solar wind in agreement with the observations.

An approach to developing an integrated pyroprocessing simulator

NASA Astrophysics Data System (ADS)

Lee, Hyo Jik; Ko, Won Il; Choi, Sung Yeol; Kim, Sung Ki; Kim, In Tae; Lee, Han Soo

2014-02-01

Pyroprocessing has been studied for a decade as one of the promising fuel recycling options in Korea. We have built a pyroprocessing integrated inactive demonstration facility (PRIDE) to assess the feasibility of integrated pyroprocessing technology and scale-up issues of the processing equipment. Even though such facility cannot be replaced with a real integrated facility using spent nuclear fuel (SF), many insights can be obtained in terms of the world's largest integrated pyroprocessing operation. In order to complement or overcome such limited test-based research, a pyroprocessing Modelling and simulation study began in 2011. The Korea Atomic Energy Research Institute (KAERI) suggested a Modelling architecture for the development of a multi-purpose pyroprocessing simulator consisting of three-tiered models: unit process, operation, and plant-level-model. The unit process model can be addressed using governing equations or empirical equations as a continuous system (CS). In contrast, the operation model describes the operational behaviors as a discrete event system (DES). The plant-level model is an integrated model of the unit process and an operation model with various analysis modules. An interface with different systems, the incorporation of different codes, a process-centered database design, and a dynamic material flow are discussed as necessary components for building a framework of the plant-level model. As a sample model that contains methods decoding the above engineering issues was thoroughly reviewed, the architecture for building the plant-level-model was verified. By analyzing a process and operation-combined model, we showed that the suggested approach is effective for comprehensively understanding an integrated dynamic material flow. This paper addressed the current status of the pyroprocessing Modelling and simulation activity at KAERI, and also predicted its path forward.

An approach to developing an integrated pyroprocessing simulator

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

Lee, Hyo Jik; Ko, Won Il; Choi, Sung Yeol

Pyroprocessing has been studied for a decade as one of the promising fuel recycling options in Korea. We have built a pyroprocessing integrated inactive demonstration facility (PRIDE) to assess the feasibility of integrated pyroprocessing technology and scale-up issues of the processing equipment. Even though such facility cannot be replaced with a real integrated facility using spent nuclear fuel (SF), many insights can be obtained in terms of the world's largest integrated pyroprocessing operation. In order to complement or overcome such limited test-based research, a pyroprocessing Modelling and simulation study began in 2011. The Korea Atomic Energy Research Institute (KAERI) suggestedmore » a Modelling architecture for the development of a multi-purpose pyroprocessing simulator consisting of three-tiered models: unit process, operation, and plant-level-model. The unit process model can be addressed using governing equations or empirical equations as a continuous system (CS). In contrast, the operation model describes the operational behaviors as a discrete event system (DES). The plant-level model is an integrated model of the unit process and an operation model with various analysis modules. An interface with different systems, the incorporation of different codes, a process-centered database design, and a dynamic material flow are discussed as necessary components for building a framework of the plant-level model. As a sample model that contains methods decoding the above engineering issues was thoroughly reviewed, the architecture for building the plant-level-model was verified. By analyzing a process and operation-combined model, we showed that the suggested approach is effective for comprehensively understanding an integrated dynamic material flow. This paper addressed the current status of the pyroprocessing Modelling and simulation activity at KAERI, and also predicted its path forward.« less

A Note on Feynman Path Integral for Electromagnetic External Fields

NASA Astrophysics Data System (ADS)

Botelho, Luiz C. L.

2017-08-01

We propose a Fresnel stochastic white noise framework to analyze the nature of the Feynman paths entering on the Feynman Path Integral expression for the Feynman Propagator of a particle quantum mechanically moving under an external electromagnetic time-independent potential.

An Anatomically Constrained Model for Path Integration in the Bee Brain.

PubMed

Stone, Thomas; Webb, Barbara; Adden, Andrea; Weddig, Nicolai Ben; Honkanen, Anna; Templin, Rachel; Wcislo, William; Scimeca, Luca; Warrant, Eric; Heinze, Stanley

2017-10-23

Path integration is a widespread navigational strategy in which directional changes and distance covered are continuously integrated on an outward journey, enabling a straight-line return to home. Bees use vision for this task-a celestial-cue-based visual compass and an optic-flow-based visual odometer-but the underlying neural integration mechanisms are unknown. Using intracellular electrophysiology, we show that polarized-light-based compass neurons and optic-flow-based speed-encoding neurons converge in the central complex of the bee brain, and through block-face electron microscopy, we identify potential integrator cells. Based on plausible output targets for these cells, we propose a complete circuit for path integration and steering in the central complex, with anatomically identified neurons suggested for each processing step. The resulting model circuit is thus fully constrained biologically and provides a functional interpretation for many previously unexplained architectural features of the central complex. Moreover, we show that the receptive fields of the newly discovered speed neurons can support path integration for the holonomic motion (i.e., a ground velocity that is not precisely aligned with body orientation) typical of bee flight, a feature not captured in any previously proposed model of path integration. In a broader context, the model circuit presented provides a general mechanism for producing steering signals by comparing current and desired headings-suggesting a more basic function for central complex connectivity, from which path integration may have evolved. Copyright © 2017 Elsevier Ltd. All rights reserved.

Spin coherent-state path integrals and the instanton calculus

NASA Astrophysics Data System (ADS)

Garg, Anupam; Kochetov, Evgueny; Park, Kee-Su; Stone, Michael

2003-01-01

We use an instanton approximation to the continuous-time spin coherent-state path integral to obtain the tunnel splitting of classically degenerate ground states. We show that provided the fluctuation determinant is carefully evaluated, the path integral expression is accurate to order O(1/j). We apply the method to the LMG model and to the molecular magnet Fe8 in a transverse field.

Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

John, Christopher; Spura, Thomas; Habershon, Scott; Kühne, Thomas D.

2016-04-01

We present a simple and accurate computational method which facilitates ab initio path-integral molecular dynamics simulations, where the quantum-mechanical nature of the nuclei is explicitly taken into account, at essentially no additional computational cost in comparison to the corresponding calculation using classical nuclei. The predictive power of the proposed quantum ring-polymer contraction method is demonstrated by computing various static and dynamic properties of liquid water at ambient conditions using density functional theory. This development will enable routine inclusion of nuclear quantum effects in ab initio molecular dynamics simulations of condensed-phase systems.

Double-Pulse Two-Micron IPDA Lidar Simulation for Airborne Carbon Dioxide Measurements

NASA Technical Reports Server (NTRS)

Refaat, Tamer F.; Singh, Upendra N.; Yu, Jirong; Petros, Mulugeta

2015-01-01

An advanced double-pulsed 2-micron integrated path differential absorption lidar has been developed at NASA Langley Research Center for measuring atmospheric carbon dioxide. The instrument utilizes a state-of-the-art 2-micron laser transmitter with tunable on-line wavelength and advanced receiver. Instrument modeling and airborne simulations are presented in this paper. Focusing on random errors, results demonstrate instrument capabilities of performing precise carbon dioxide differential optical depth measurement with less than 3% random error for single-shot operation from up to 11 km altitude. This study is useful for defining CO2 measurement weighting, instrument setting, validation and sensitivity trade-offs.

Development of an Implantable WBAN Path-Loss Model for Capsule Endoscopy

NASA Astrophysics Data System (ADS)

Aoyagi, Takahiro; Takizawa, Kenichi; Kobayashi, Takehiko; Takada, Jun-Ichi; Hamaguchi, Kiyoshi; Kohno, Ryuji

An implantable WBAN path-loss model for a capsule endoscopy which is used for examining digestive organs, is developed by conducting simulations and experiments. First, we performed FDTD simulations on implant WBAN propagation by using a numerical human model. Second, we performed FDTD simulations on a vessel that represents the human body. Third, we performed experiments using a vessel of the same dimensions as that used in the simulations. On the basis of the results of these simulations and experiments, we proposed the gradient and intercept parameters of the simple path-loss in-body propagation model.

Variational nature, integration, and properties of Newton reaction path

NASA Astrophysics Data System (ADS)

Bofill, Josep Maria; Quapp, Wolfgang

2011-02-01

The distinguished coordinate path and the reduced gradient following path or its equivalent formulation, the Newton trajectory, are analyzed and unified using the theory of calculus of variations. It is shown that their minimum character is related to the fact that the curve is located in a valley region. In this case, we say that the Newton trajectory is a reaction path with the category of minimum energy path. In addition to these findings a Runge-Kutta-Fehlberg algorithm to integrate these curves is also proposed.

Variational nature, integration, and properties of Newton reaction path.

PubMed

Bofill, Josep Maria; Quapp, Wolfgang

2011-02-21

The distinguished coordinate path and the reduced gradient following path or its equivalent formulation, the Newton trajectory, are analyzed and unified using the theory of calculus of variations. It is shown that their minimum character is related to the fact that the curve is located in a valley region. In this case, we say that the Newton trajectory is a reaction path with the category of minimum energy path. In addition to these findings a Runge-Kutta-Fehlberg algorithm to integrate these curves is also proposed.

Simplified path integral for supersymmetric quantum mechanics and type-A trace anomalies

NASA Astrophysics Data System (ADS)

Bastianelli, Fiorenzo; Corradini, Olindo; Iacconi, Laura

2018-05-01

Particles in a curved space are classically described by a nonlinear sigma model action that can be quantized through path integrals. The latter require a precise regularization to deal with the derivative interactions arising from the nonlinear kinetic term. Recently, for maximally symmetric spaces, simplified path integrals have been developed: they allow to trade the nonlinear kinetic term with a purely quadratic kinetic term (linear sigma model). This happens at the expense of introducing a suitable effective scalar potential, which contains the information on the curvature of the space. The simplified path integral provides a sensible gain in the efficiency of perturbative calculations. Here we extend the construction to models with N = 1 supersymmetry on the worldline, which are applicable to the first quantized description of a Dirac fermion. As an application we use the simplified worldline path integral to compute the type-A trace anomaly of a Dirac fermion in d dimensions up to d = 16.

Feynman path integral application on deriving black-scholes diffusion equation for european option pricing

NASA Astrophysics Data System (ADS)

Utama, Briandhika; Purqon, Acep

2016-08-01

Path Integral is a method to transform a function from its initial condition to final condition through multiplying its initial condition with the transition probability function, known as propagator. At the early development, several studies focused to apply this method for solving problems only in Quantum Mechanics. Nevertheless, Path Integral could also apply to other subjects with some modifications in the propagator function. In this study, we investigate the application of Path Integral method in financial derivatives, stock options. Black-Scholes Model (Nobel 1997) was a beginning anchor in Option Pricing study. Though this model did not successfully predict option price perfectly, especially because its sensitivity for the major changing on market, Black-Scholes Model still is a legitimate equation in pricing an option. The derivation of Black-Scholes has a high difficulty level because it is a stochastic partial differential equation. Black-Scholes equation has a similar principle with Path Integral, where in Black-Scholes the share's initial price is transformed to its final price. The Black-Scholes propagator function then derived by introducing a modified Lagrange based on Black-Scholes equation. Furthermore, we study the correlation between path integral analytical solution and Monte-Carlo numeric solution to find the similarity between this two methods.

Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of Dopamine.

PubMed

Mavri, Janez; Matute, Ricardo A; Chu, Zhen T; Vianello, Robert

2016-04-14

Brain monoamines regulate many centrally mediated body functions, and can cause adverse symptoms when they are out of balance. A starting point to address challenges raised by the increasing burden of brain diseases is to understand, at atomistic level, the catalytic mechanism of an essential amine metabolic enzyme-monoamine oxidase B (MAO B). Recently, we demonstrated that the rate-limiting step of MAO B catalyzed conversion of amines into imines represents the hydride anion transfer from the substrate α-CH2 group to the N5 atom of the flavin cofactor moiety. In this article we simulated for MAO B catalyzed dopamine decomposition the effects of nuclear tunneling by the calculation of the H/D kinetic isotope effect. We applied path integral quantization of the nuclear motion for the methylene group and the N5 atom of the flavin moiety in conjunction with the QM/MM treatment on the empirical valence bond (EVB) level for the rest of the enzyme. The calculated H/D kinetic isotope effect of 12.8 ± 0.3 is in a reasonable agreement with the available experimental data for closely related biogenic amines, which gives strong support for the proposed hydride mechanism. The results are discussed in the context of tunneling in enzyme centers and advent of deuterated drugs into clinical practice.

Optimization of Pockels electric field in transverse modulated optical voltage sensor

NASA Astrophysics Data System (ADS)

Huang, Yifan; Xu, Qifeng; Chen, Kun-Long; Zhou, Jie

2018-05-01

This paper investigates the possibilities of optimizing the Pockels electric field in a transverse modulated optical voltage sensor with a spherical electrode structure. The simulations show that due to the edge effect and the electric field concentrations and distortions, the electric field distributions in the crystal are non-uniform. In this case, a tiny variation in the light path leads to an integral error of more than 0.5%. Moreover, a 2D model cannot effectively represent the edge effect, so a 3D model is employed to optimize the electric field distributions. Furthermore, a new method to attach a quartz crystal to the electro-optic crystal along the electric field direction is proposed to improve the non-uniformity of the electric field. The integral error is reduced therefore from 0.5% to 0.015% and less. The proposed method is simple, practical and effective, and it has been validated by numerical simulations and experimental tests.

Mathematical Simulation for Integrated Linear Fresnel Spectrometer Chip

NASA Technical Reports Server (NTRS)

Park, Yeonjoon; Yoon, Hargoon; Lee, Uhn; King, Glen C.; Choi, Sang H.

2012-01-01

A miniaturized solid-state optical spectrometer chip was designed with a linear gradient-gap Fresnel grating which was mounted perpendicularly to a sensor array surface and simulated for its performance and functionality. Unlike common spectrometers which are based on Fraunhoffer diffraction with a regular periodic line grating, the new linear gradient grating Fresnel spectrometer chip can be miniaturized to a much smaller form-factor into the Fresnel regime exceeding the limit of conventional spectrometers. This mathematical calculation shows that building a tiny motionless multi-pixel microspectrometer chip which is smaller than 1 cubic millimter of optical path volume is possible. The new Fresnel spectrometer chip is proportional to the energy scale (hc/lambda), while the conventional spectrometers are proportional to the wavelength scale (lambda). We report the theoretical optical working principle and new data collection algorithm of the new Fresnel spectrometer to build a compact integrated optical chip.

2011 IEEE Visualization Contest winner: Visualizing unsteady vortical behavior of a centrifugal pump.

PubMed

Otto, Mathias; Kuhn, Alexander; Engelke, Wito; Theisel, Holger

2012-01-01

In the 2011 IEEE Visualization Contest, the dataset represented a high-resolution simulation of a centrifugal pump operating below optimal speed. The goal was to find suitable visualization techniques to identify regions of rotating stall that impede the pump's effectiveness. The winning entry split analysis of the pump into three parts based on the pump's functional behavior. It then applied local and integration-based methods to communicate the unsteady flow behavior in different regions of the dataset. This research formed the basis for a comparison of common vortex extractors and more recent methods. In particular, integration-based methods (separation measures, accumulated scalar fields, particle path lines, and advection textures) are well suited to capture the complex time-dependent flow behavior. This video (http://youtu.be/oD7QuabY0oU) shows simulations of unsteady flow in a centrifugal pump.

Ab Initio Path Integral Molecular Dynamics Study of the Nuclear Quantum Effect on Out-of-Plane Ring Deformation of Hydrogen Maleate Anion.

PubMed

Kawashima, Yukio; Tachikawa, Masanori

2014-01-14

Ab initio path integral molecular dynamics (PIMD) simulation was performed to understand the nuclear quantum effect on the out-of-plane ring deformation of hydrogen maleate anion and investigate the existence of a stable structure with ring deformation, which was suggested in experimental observation (Fillaux et al., Chem. Phys. 1999, 120, 387-403). The isotope effect and the temperature effect are studied as well. We first investigated the nuclear quantum effect on the proton transfer. In static calculation and classical ab initio molecular dynamics simulations, the proton in the hydrogen bond is localized to either oxygen atom. On the other hand, the proton is located at the center of two oxygen atoms in quantum ab initio PIMD simulations. The nuclear quantum effect washes out the barrier of proton transfer. We next examined the nuclear quantum effect on the motion of hydrogen maleate anion. Principal component analysis revealed that the out-of-plane ring bending modes have dominant contribution to the entire molecular motion. In quantum ab initio PIMD simulations, structures with ring deformation were the global minimum for the deuterated isotope at 300 K. We analyzed the out-of-plane ring bending mode further and found that there are three minima along a ring distortion mode. We successfully found a stable structure with ring deformation of hydrogen maleate for the first time, to our knowledge, using theoretical calculation. The structures with ring deformation found in quantum simulation of the deuterated isotope allowed the proton transfer to occur more frequently than the planar structure. Static ab initio electronic structure calculation found that the structures with ring deformation have very small proton transfer barrier compared to the planar structure. We suggest that the "proton transfer driven" mechanism is the origin of stabilization for the structure with out-of-plane ring deformation.

Quantization of Simple Parametrized Systems

NASA Astrophysics Data System (ADS)

Ruffini, Giulio

1995-01-01

I study the canonical formulation and quantization of some simple parametrized systems using Dirac's formalism and the Becchi-Rouet-Stora-Tyutin (BRST) extended phase space method. These systems include the parametrized particle and minisuperspace. Using Dirac's formalism I first analyze for each case the construction of the classical reduced phase space. There are two separate features of these systems that may make this construction difficult: (a) Because of the boundary conditions used, the actions are not gauge invariant at the boundaries. (b) The constraints may have a disconnected solution space. The relativistic particle and minisuperspace have such complicated constraints, while the non-relativistic particle displays only the first feature. I first show that a change of gauge fixing is equivalent to a canonical transformation in the reduced phase space, thus resolving the problems associated with the first feature above. Then I consider the quantization of these systems using several approaches: Dirac's method, Dirac-Fock quantization, and the BRST formalism. In the cases of the relativistic particle and minisuperspace I consider first the quantization of one branch of the constraint at the time and then discuss the backgrounds in which it is possible to quantize simultaneously both branches. I motivate and define the inner product, and obtain, for example, the Klein-Gordon inner product for the relativistic case. Then I show how to construct phase space path integral representations for amplitudes in these approaches--the Batalin-Fradkin-Vilkovisky (BFV) and the Faddeev path integrals --from which one can then derive the path integrals in coordinate space--the Faddeev-Popov path integral and the geometric path integral. In particular I establish the connection between the Hilbert space representation and the range of the lapse in the path integrals. I also examine the class of paths that contribute in the path integrals and how they affect space-time covariance, concluding that it is consistent to take paths that move forward in time only when there is no electric field. The key elements in this analysis are the space-like paths and the behavior of the action under the non-trivial ( Z_2) element of the reparametrization group.

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

NASA Astrophysics Data System (ADS)

Chantasri, Areeya; Jordan, Andrew

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

77 FR 74027 - Certain Integrated Circuit Packages Provided with Multiple Heat-Conducting Paths and Products...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-12

... INTERNATIONAL TRADE COMMISSION [Investigation No. 337-TA-851] Certain Integrated Circuit Packages Provided with Multiple Heat- Conducting Paths and Products Containing Same; Commission Determination Not To... provided with multiple heat-conducting paths and products containing same by reason of infringement of...

FIELD EVALUATION OF A METHOD FOR ESTIMATING GASEOUS FLUXES FROM AREA SOURCES USING OPEN-PATH FTIR

EPA Science Inventory

The paper gives preliminary results from a field evaluation of a new approach for quantifying gaseous fugitive emissions of area air pollution sources. The approach combines path-integrated concentration data acquired with any path-integrated optical remote sensing (PI-ORS) ...

FIELD EVALUATION OF A METHOD FOR ESTIMATING GASEOUS FLUXES FROM AREA SOURCES USING OPEN-PATH FOURIER TRANSFORM INFRARED

EPA Science Inventory

The paper describes preliminary results from a field experiment designed to evaluate a new approach to quantifying gaseous fugitive emissions from area air pollution sources. The new approach combines path-integrated concentration data acquired with any path-integrated optical re...

Spatial Updating Strategy Affects the Reference Frame in Path Integration.

PubMed

He, Qiliang; McNamara, Timothy P

2018-06-01

This study investigated how spatial updating strategies affected the selection of reference frames in path integration. Participants walked an outbound path consisting of three successive waypoints in a featureless environment and then pointed to the first waypoint. We manipulated the alignment of participants' final heading at the end of the outbound path with their initial heading to examine the adopted reference frame. We assumed that the initial heading defined the principal reference direction in an allocentric reference frame. In Experiment 1, participants were instructed to use a configural updating strategy and to monitor the shape of the outbound path while they walked it. Pointing performance was best when the final heading was aligned with the initial heading, indicating the use of an allocentric reference frame. In Experiment 2, participants were instructed to use a continuous updating strategy and to keep track of the location of the first waypoint while walking the outbound path. Pointing performance was equivalent regardless of the alignment between the final and the initial headings, indicating the use of an egocentric reference frame. These results confirmed that people could employ different spatial updating strategies in path integration (Wiener, Berthoz, & Wolbers Experimental Brain Research 208(1) 61-71, 2011), and suggested that these strategies could affect the selection of the reference frame for path integration.

Pitch attitude, flight path, and airspeed control during approach and landing of a powered lift STOL aircraft

NASA Technical Reports Server (NTRS)

Franklin, J. A.; Innis, R. C.

1972-01-01

Analytical investigations and piloted moving base simulator evaluations were conducted for manual control of pitch attitude, flight path, and airspeed for the approach and landing of a powered lift jet STOL aircraft. Flight path and speed response characteristics were described analytically and were evaluated for the simulation experiments which were carried out on a large motion simulator. The response characteristics were selected and evaluated for a specified path and speed control technique. These charcteristics were: (1) the initial pitch response and steady pitch rate sensitivity for control of attitude with a pitch rate command/ attitude hold system, (2) the initial flight path response, flight path overshoot, and flight path-airspeed coupling in response to a change in thrust, and (3) the sensitivity of airspeed to pitch attitude changes. Results are presented in the form of pilot opinion ratings and commentary, substantiated where appropriate by response time histories and aircraft states at the point of touchdown.

XCAT/DRASIM: a realistic CT/human-model simulation package

NASA Astrophysics Data System (ADS)

Fung, George S. K.; Stierstorfer, Karl; Segars, W. Paul; Taguchi, Katsuyuki; Flohr, Thomas G.; Tsui, Benjamin M. W.

2011-03-01

The aim of this research is to develop a complete CT/human-model simulation package by integrating the 4D eXtended CArdiac-Torso (XCAT) phantom, a computer generated NURBS surface based phantom that provides a realistic model of human anatomy and respiratory and cardiac motions, and the DRASIM (Siemens Healthcare) CT-data simulation program. Unlike other CT simulation tools which are based on simple mathematical primitives or voxelized phantoms, this new simulation package has the advantages of utilizing a realistic model of human anatomy and physiological motions without voxelization and with accurate modeling of the characteristics of clinical Siemens CT systems. First, we incorporated the 4D XCAT anatomy and motion models into DRASIM by implementing a new library which consists of functions to read-in the NURBS surfaces of anatomical objects and their overlapping order and material properties in the XCAT phantom. Second, we incorporated an efficient ray-tracing algorithm for line integral calculation in DRASIM by computing the intersection points of the rays cast from the x-ray source to the detector elements through the NURBS surfaces of the multiple XCAT anatomical objects along the ray paths. Third, we evaluated the integrated simulation package by performing a number of sample simulations of multiple x-ray projections from different views followed by image reconstruction. The initial simulation results were found to be promising by qualitative evaluation. In conclusion, we have developed a unique CT/human-model simulation package which has great potential as a tool in the design and optimization of CT scanners, and the development of scanning protocols and image reconstruction methods for improving CT image quality and reducing radiation dose.

An automated integration-free path-integral method based on Kleinert's variational perturbation theory

NASA Astrophysics Data System (ADS)

Wong, Kin-Yiu; Gao, Jiali

2007-12-01

Based on Kleinert's variational perturbation (KP) theory [Path Integrals in Quantum Mechanics, Statistics, Polymer Physics, and Financial Markets, 3rd ed. (World Scientific, Singapore, 2004)], we present an analytic path-integral approach for computing the effective centroid potential. The approach enables the KP theory to be applied to any realistic systems beyond the first-order perturbation (i.e., the original Feynman-Kleinert [Phys. Rev. A 34, 5080 (1986)] variational method). Accurate values are obtained for several systems in which exact quantum results are known. Furthermore, the computed kinetic isotope effects for a series of proton transfer reactions, in which the potential energy surfaces are evaluated by density-functional theory, are in good accordance with experiments. We hope that our method could be used by non-path-integral experts or experimentalists as a "black box" for any given system.

Computational study of the melting-freezing transition in the quantum hard-sphere system for intermediate densities. II. Structural features.

PubMed

Sesé, Luis M; Bailey, Lorna E

2007-04-28

The structural features of the quantum hard-sphere system in the region of the fluid-face-centered-cubic-solid transition, for reduced number densities 0.45

INNOVATIVE APPROACH FOR MEASURING AMMONIA AND METHANE FLUXES FROM A HOG FARM USING OPEN-PATH FOURIER TRANSFORM INFRARED SPECTROSCOPY

EPA Science Inventory

The paper describes a new approach to quantify emissions from area air pollution sources. The approach combines path-integrated concentration data acquired with any path-integrated optical remote sensing (PI-ORS) technique and computed tomography (CT) technique. In this study, an...

Evacuation Simulation in Kalayaan Residence Hall, up Diliman Using Gama Simulation Software

NASA Astrophysics Data System (ADS)

Claridades, A. R. C.; Villanueva, J. K. S.; Macatulad, E. G.

2016-09-01

Agent-Based Modeling (ABM) has recently been adopted in some studies for the modelling of events as a dynamic system given a set of events and parameters. In principle, ABM employs individual agents with assigned attributes and behaviors and simulates their behavior around their environment and interaction with other agents. This can be a useful tool in both micro and macroscale-applications. In this study, a model initially created and applied to an academic building was implemented in a dormitory. In particular, this research integrates three-dimensional Geographic Information System (GIS) with GAMA as the multi-agent based evacuation simulation and is implemented in Kalayaan Residence Hall. A three-dimensional GIS model is created based on the floor plans and demographic data of the dorm, including respective pathways as networks, rooms, floors, exits and appropriate attributes. This model is then re-implemented in GAMA. Different states of the agents and their effect on their evacuation time were then observed. GAMA simulation with varying path width was also implemented. It has been found out that compared to their original states, panic, eating and studying will hasten evacuation, and on the other hand, sleeping and being on the bathrooms will be impedances. It is also concluded that evacuation time will be halved when path widths are doubled, however it is recommended for further studies for pathways to be modeled as spaces instead of lines. A more scientific basis for predicting agent behavior in these states is also recommended for more realistic results.

Debris flow runup on vertical barriers and adverse slopes

USGS Publications Warehouse

Iverson, Richard M.; George, David L.; Logan, Matthew

2016-01-01

Runup of debris flows against obstacles in their paths is a complex process that involves profound flow deceleration and redirection. We investigate the dynamics and predictability of runup by comparing results from large-scale laboratory experiments, four simple analytical models, and a depth-integrated numerical model (D-Claw). The experiments and numerical simulations reveal the important influence of unsteady, multidimensional flow on runup, and the analytical models highlight key aspects of the underlying physics. Runup against a vertical barrier normal to the flow path is dominated by rapid development of a shock, or jump in flow height, associated with abrupt deceleration of the flow front. By contrast, runup on sloping obstacles is initially dominated by a smooth flux of mass and momentum from the flow body to the flow front, which precedes shock development and commonly increases the runup height. D-Claw simulations that account for the emergence of shocks show that predicted runup heights vary systematically with the adverse slope angle and also with the Froude number and degree of liquefaction (or effective basal friction) of incoming flows. They additionally clarify the strengths and limitations of simplified analytical models. Numerical simulations based on a priori knowledge of the evolving dynamics of incoming flows yield quite accurate runup predictions. Less predictive accuracy is attained in ab initio simulations that compute runup based solely on knowledge of static debris properties in a distant debris flow source area. Nevertheless, the paucity of inputs required in ab initio simulations enhances their prospective value in runup forecasting.

A Discrete Probability Function Method for the Equation of Radiative Transfer

NASA Technical Reports Server (NTRS)

Sivathanu, Y. R.; Gore, J. P.

1993-01-01

A discrete probability function (DPF) method for the equation of radiative transfer is derived. The DPF is defined as the integral of the probability density function (PDF) over a discrete interval. The derivation allows the evaluation of the PDF of intensities leaving desired radiation paths including turbulence-radiation interactions without the use of computer intensive stochastic methods. The DPF method has a distinct advantage over conventional PDF methods since the creation of a partial differential equation from the equation of transfer is avoided. Further, convergence of all moments of intensity is guaranteed at the basic level of simulation unlike the stochastic method where the number of realizations for convergence of higher order moments increases rapidly. The DPF method is described for a representative path with approximately integral-length scale-sized spatial discretization. The results show good agreement with measurements in a propylene/air flame except for the effects of intermittency resulting from highly correlated realizations. The method can be extended to the treatment of spatial correlations as described in the Appendix. However, information regarding spatial correlations in turbulent flames is needed prior to the execution of this extension.

Airborne pipeline leak detection: UV or IR?

NASA Astrophysics Data System (ADS)

Babin, François; Gravel, Jean-François; Allard, Martin

2016-05-01

This paper presents a study of different approaches to the measurement of the above ground vapor plume created by the spill caused by a small 0.1 l/min (or less) leak in an underground liquid petroleum pipeline. The scenarios are those for the measurement from an airborne platform. The usual approach is that of IR absorption, but in the case of liquid petroleum products, there are drawbacks that will be discussed, especially when using alkanes to detect a leak. The optical measurements studied include UV enhanced Raman lidar, UV fluorescence lidar and IR absorption path integrated lidars. The breadboards used for testing the different approaches will be described along with the set-ups for leak simulation. Although IR absorption would intuitively be the most sensitive, it is shown that UV-Raman could be an alternative. When using the very broad alkane signature in the IR, the varying ground spectral reflectance are a problem. It is also determined that integrated path measurements are preferred, the UV enhanced Raman measurements showing that the vapor plume stays very close to the ground.

Distributed cooperating processes in a mobile robot control system

NASA Technical Reports Server (NTRS)

Skillman, Thomas L., Jr.

1988-01-01

A mobile inspection robot has been proposed for the NASA Space Station. It will be a free flying autonomous vehicle that will leave a berthing unit to accomplish a variety of inspection tasks around the Space Station, and then return to its berth to recharge, refuel, and transfer information. The Flying Eye robot will receive voice communication to change its attitude, move at a constant velocity, and move to a predefined location along a self generated path. This mobile robot control system requires integration of traditional command and control techniques with a number of AI technologies. Speech recognition, natural language understanding, task and path planning, sensory abstraction and pattern recognition are all required for successful implementation. The interface between the traditional numeric control techniques and the symbolic processing to the AI technologies must be developed, and a distributed computing approach will be needed to meet the real time computing requirements. To study the integration of the elements of this project, a novel mobile robot control architecture and simulation based on the blackboard architecture was developed. The control system operation and structure is discussed.

Topological charge quantization via path integration: An application of the Kustaanheimo-Stiefel transformation

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

Inomata, A.; Junker, G.; Wilson, R.

1993-08-01

The unified treatment of the Dirac monopole, the Schwinger monopole, and the Aharonov-Bahn problem by Barut and Wilson is revisited via a path integral approach. The Kustaanheimo-Stiefel transformation of space and time is utilized to calculate the path integral for a charged particle in the singular vector potential. In the process of dimensional reduction, a topological charge quantization rule is derived, which contains Dirac's quantization condition as a special case. 32 refs.

Evaluation of the path integral for flow through random porous media

NASA Astrophysics Data System (ADS)

Westbroek, Marise J. E.; Coche, Gil-Arnaud; King, Peter R.; Vvedensky, Dimitri D.

2018-04-01

We present a path integral formulation of Darcy's equation in one dimension with random permeability described by a correlated multivariate lognormal distribution. This path integral is evaluated with the Markov chain Monte Carlo method to obtain pressure distributions, which are shown to agree with the solutions of the corresponding stochastic differential equation for Dirichlet and Neumann boundary conditions. The extension of our approach to flow through random media in two and three dimensions is discussed.

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

Gottwald, M.; Kan, J. J.; Lee, K.

Thermal budget, stack thickness, and dipolar offset field control are crucial for seamless integration of perpendicular magnetic junctions (pMTJ) into semiconductor integrated circuits to build scalable spin-transfer-torque magnetoresistive random access memory. This paper is concerned with materials and process tuning to deliver thermally robust (400 °C, 30 min) and thin (i.e., fewer layers and integration-friendly) pMTJ utilizing Co/Pt-based bottom pinned layers. Interlayer roughness control is identified as a key enabler to achieve high thermal budgets. The dipolar offset fields of the developed film stacks at scaled dimensions are evaluated by micromagnetic simulations. This paper shows a path towards achieving sub-15 nm-thick pMTJ withmore » tunneling magnetoresistance ratio higher than 150% after 30 min of thermal excursion at 400 °C.« less

STS-2 - SOFTWARE INTEGRATION TESTS (SIT) - KSC

NASA Image and Video Library

1981-09-01

S81-36331 (24 Aug. 1981) --- Astronauts Joe H. Engle, left, and Richard H. Truly pause before participating in the integrated test of the assembled space shuttle components scheduled for launch no earlier than Sept. 30, 1981. Moments later, Engle, STS-2 crew commander, and Truly, pilot, entered the cabin of the orbiter Columbia for a mission simulation. The shuttle integrated tests (SIT) are designed to check out every connection and signal path in the STS-2 vehicle composed of the orbiter, two solid rocket boosters (SRB) and an external fuel tank (ET) for Columbia?s main engines. Completion of the tests will clear the way for preparations for rollout to Pad A at Launch Complex 39, scheduled for the latter part of August or early September. Photo credit: NASA

Mesoscale Air-Sea Interactions along the Gulf Stream: An Eddy-Resolving and Convection-Permitting Coupled Regional Climate Model Study

NASA Astrophysics Data System (ADS)

Hsieh, J. S.; Chang, P.; Saravanan, R.

2017-12-01

Frontal and mesoscale air-sea interactions along the Gulf Stream (GS) during boreal winter are investigated using an eddy-resolving and convection-permitting coupled regional climate model with atmospheric grid resolutions varying from meso-β (27-km) to -r (9-km and 3-km nest) scales in WRF and a 9-km ocean model (ROMS) that explicitly resolves the ocean mesoscale eddies across the North Atlantic basin. The mesoscale wavenumber energy spectra for the simulated surface wind stress and SST demonstrate good agreement with the observed spectra calculated from the observational QuikSCAT and AMSR-E datasets, suggesting that the model well captures the energy cascade of the mesoscale eddies in both the atmosphere and the ocean. Intercomparison among different resolution simulations indicates that after three months of integration the simulated GS path tends to overshoot beyond the separation point in the 27-km WRF coupled experiments than the observed climatological path of the GS, whereas the 3-km nested and 9-km WRF coupled simulations realistically simulate GS separation. The GS overshoot in 27-km WRF coupled simulations is accompanied with a significant SST warming bias to the north of the GS extension. Such biases are associated with the deficiency of wind stress-SST coupling strengths simulated by the coupled model with a coarser resolution in WRF. It is found that the model at 27-km grid spacing can approximately simulate 72% (62%) of the observed mean coupling strength between surface wind stress curl (divergence) and crosswind (downwind) SST gradient while by increasing the WRF resolutions to 9 km or 3 km the coupled model can much better capture the observed coupling strengths.

Quantum annealing of the traveling-salesman problem.

PubMed

Martonák, Roman; Santoro, Giuseppe E; Tosatti, Erio

2004-11-01

We propose a path-integral Monte Carlo quantum annealing scheme for the symmetric traveling-salesman problem, based on a highly constrained Ising-like representation, and we compare its performance against standard thermal simulated annealing. The Monte Carlo moves implemented are standard, and consist in restructuring a tour by exchanging two links (two-opt moves). The quantum annealing scheme, even with a drastically simple form of kinetic energy, appears definitely superior to the classical one, when tested on a 1002-city instance of the standard TSPLIB.

Impurity self-energy in the strongly-correlated Bose systems

NASA Astrophysics Data System (ADS)

Panochko, Galyna; Pastukhov, Volodymyr; Vakarchuk, Ivan

2018-02-01

We proposed the nonperturbative scheme for the calculation of the impurity spectrum in the Bose system at zero temperature. The method is based on the path-integral formulation and describes an impurity as a zero-density ideal Fermi gas interacting with Bose system for which the action is written in terms of density fluctuations. On the example of the 3He atom immersed in the liquid helium-4 a good consistency with experimental data and results of Monte Carlo simulations is shown.

Scenario Analysis With Economic-Energy Systems Models Coupled to Simple Climate Models

NASA Astrophysics Data System (ADS)

Hanson, D. A.; Kotamarthi, V. R.; Foster, I. T.; Franklin, M.; Zhu, E.; Patel, D. M.

2008-12-01

Here, we compare two scenarios based on Stanford University's Energy Modeling Forum Study 22 on global cooperative and non-cooperative climate policies. In the former, efficient transition paths are implemented including technology Research and Development effort, energy conservation programs, and price signals for greenhouse gas (GHG) emissions. In the non-cooperative case, some countries try to relax their regulations and be free riders. Total emissions and costs are higher in the non-cooperative scenario. The simulations, including climate impacts, run to the year 2100. We use the Argonne AMIGA-MARS economic-energy systems model, the Texas AM University's Forest and Agricultural Sector Optimization Model (FASOM), and the University of Illinois's Integrated Science Assessment Model (ISAM), with offline coupling between the FASOM and AMIGA-MARS and an online coupling between AMIGA-MARS and ISAM. This set of models captures the interaction of terrestrial systems, land use, crops and forests, climate change, human activity, and energy systems. Our scenario simulations represent dynamic paths over which all the climate, terrestrial, economic, and energy technology equations are solved simultaneously Special attention is paid to biofuels and how they interact with conventional gasoline/diesel fuel markets. Possible low-carbon penetration paths are based on estimated costs for new technologies, including cellulosic biomass, coal-to-liquids, plug-in electric vehicles, solar and nuclear energy. We explicitly explore key uncertainties that affect mitigation and adaptation scenarios.

Feynman formulae and phase space Feynman path integrals for tau-quantization of some Lévy-Khintchine type Hamilton functions

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

Butko, Yana A., E-mail: yanabutko@yandex.ru, E-mail: kinderknecht@math.uni-sb.de; Grothaus, Martin, E-mail: grothaus@mathematik.uni-kl.de; Smolyanov, Oleg G., E-mail: Smolyanov@yandex.ru

2016-02-15

Evolution semigroups generated by pseudo-differential operators are considered. These operators are obtained by different (parameterized by a number τ) procedures of quantization from a certain class of functions (or symbols) defined on the phase space. This class contains Hamilton functions of particles with variable mass in magnetic and potential fields and more general symbols given by the Lévy-Khintchine formula. The considered semigroups are represented as limits of n-fold iterated integrals when n tends to infinity. Such representations are called Feynman formulae. Some of these representations are constructed with the help of another pseudo-differential operator, obtained by the same procedure ofmore » quantization; such representations are called Hamiltonian Feynman formulae. Some representations are based on integral operators with elementary kernels; these are called Lagrangian Feynman formulae. Langrangian Feynman formulae provide approximations of evolution semigroups, suitable for direct computations and numerical modeling of the corresponding dynamics. Hamiltonian Feynman formulae allow to represent the considered semigroups by means of Feynman path integrals. In the article, a family of phase space Feynman pseudomeasures corresponding to different procedures of quantization is introduced. The considered evolution semigroups are represented as phase space Feynman path integrals with respect to these Feynman pseudomeasures, i.e., different quantizations correspond to Feynman path integrals with the same integrand but with respect to different pseudomeasures. This answers Berezin’s problem of distinguishing a procedure of quantization on the language of Feynman path integrals. Moreover, the obtained Lagrangian Feynman formulae allow also to calculate these phase space Feynman path integrals and to connect them with some functional integrals with respect to probability measures.« less

A Wigner-based ray-tracing method for imaging simulations

NASA Astrophysics Data System (ADS)

Mout, B. M.; Wick, M.; Bociort, F.; Urbach, H. P.

2015-09-01

The Wigner Distribution Function (WDF) forms an alternative representation of the optical field. It can be a valuable tool for understanding and classifying optical systems. Furthermore, it possesses properties that make it suitable for optical simulations: both the intensity and the angular spectrum can be easily obtained from the WDF and the WDF remains constant along the paths of paraxial geometrical rays. In this study we use these properties by implementing a numerical Wigner-Based Ray-Tracing method (WBRT) to simulate diffraction effects at apertures in free-space and in imaging systems. Both paraxial and non-paraxial systems are considered and the results are compared with numerical implementations of the Rayleigh-Sommerfeld and Fresnel diffraction integrals to investigate the limits of the applicability of this approach. The results of the different methods are in good agreement when simulating free-space diffraction or calculating point spread functions (PSFs) for aberration-free imaging systems, even at numerical apertures exceeding the paraxial regime. For imaging systems with aberrations, the PSFs of WBRT diverge from the results using diffraction integrals. For larger aberrations WBRT predicts negative intensities, suggesting that this model is unable to deal with aberrations.

North American water availability under stress and duress: building understanding from simulations, observations and data products

NASA Astrophysics Data System (ADS)

Maxwell, R. M.; Condon, L. E.; Atchley, A. L.; Hector, B.

2017-12-01

Quantifying the available freshwater for human use and ecological function depends on fluxes and stores that are hard to observe. Evapotranspiration (ET) is the largest terrestrial flux of water behind precipitation but is observed with low spatial density. Likewise, groundwater is the largest freshwater store, yet is equally uncertain. The ability to upscale observations of these variables is an additional complication; point measurements are made at scales orders of magnitude smaller than remote sensing data products. Integrated hydrologic models that simulate continental extents at fine spatial resolution are now becoming an additional tool to constrain fluxes and address interconnections. For example, recent work has shown connections between water table depth and transpiration partitioning, and demonstrated the ability to reconcile point observations and large-scale inferences. Here we explore the dynamics of large hydrologic systems experiencing change and stress across continental North America using integrated model simulations, observations and data products. Simulations of aquifer depletion due to pervasive groundwater pumping diagnose both stream depletion and changes in ET. Simulations of systematic increases in temperature are used to understand the relationship between snowpack dynamics, surface and groundwater flow, ET and a changing climate. Remotely sensed products including the GRACE estimates of total storage change are downscaled using model simulations to better understand human impacts to the hydrologic cycle. These example applications motivate a path forward to better use simulations to understand water availability.

Vector navigation in desert ants, Cataglyphis fortis: celestial compass cues are essential for the proper use of distance information.

PubMed

Sommer, Stefan; Wehner, Rüdiger

2005-10-01

Foraging desert ants navigate primarily by path integration. They continually update homing direction and distance by employing a celestial compass and an odometer. Here we address the question of whether information about travel distance is correctly used in the absence of directional information. By using linear channels that were partly covered to exclude celestial compass cues, we were able to test the distance component of the path-integration process while suppressing the directional information. Our results suggest that the path integrator cannot process the distance information accumulated by the odometer while ants are deprived of celestial compass information. Hence, during path integration directional cues are a prerequisite for the proper use of travel-distance information by ants.

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.

Path optimization method for the sign problem

NASA Astrophysics Data System (ADS)

Ohnishi, Akira; Mori, Yuto; Kashiwa, Kouji

2018-03-01

We propose a path optimization method (POM) to evade the sign problem in the Monte-Carlo calculations for complex actions. Among many approaches to the sign problem, the Lefschetz-thimble path-integral method and the complex Langevin method are promising and extensively discussed. In these methods, real field variables are complexified and the integration manifold is determined by the flow equations or stochastically sampled. When we have singular points of the action or multiple critical points near the original integral surface, however, we have a risk to encounter the residual and global sign problems or the singular drift term problem. One of the ways to avoid the singular points is to optimize the integration path which is designed not to hit the singular points of the Boltzmann weight. By specifying the one-dimensional integration-path as z = t +if(t)(f ɛ R) and by optimizing f(t) to enhance the average phase factor, we demonstrate that we can avoid the sign problem in a one-variable toy model for which the complex Langevin method is found to fail. In this proceedings, we propose POM and discuss how we can avoid the sign problem in a toy model. We also discuss the possibility to utilize the neural network to optimize the path.

Theory, modeling, and simulation of structural and functional materials: Micromechanics, microstructures, and properties

NASA Astrophysics Data System (ADS)

Jin, Yongmei

In recent years, theoretical modeling and computational simulation of microstructure evolution and materials property has been attracting much attention. While significant advances have been made, two major challenges remain. One is the integration of multiple physical phenomena for simulation of complex materials behavior, the other is the bridging over multiple length and time scales in materials modeling and simulation. The research presented in this Thesis is focused mainly on tackling the first major challenge. In this Thesis, a unified Phase Field Microelasticity (PFM) approach is developed. This approach is an advanced version of the phase field method that takes into account the exact elasticity of arbitrarily anisotropic, elastically and structurally inhomogeneous systems. The proposed theory and models are applicable to infinite solids, elastic half-space, and finite bodies with arbitrary-shaped free surfaces, which may undergo various concomitant physical processes. The Phase Field Microelasticity approach is employed to formulate the theories and models of martensitic transformation, dislocation dynamics, and crack evolution in single crystal and polycrystalline solids. It is also used to study strain relaxation in heteroepitaxial thin films through misfit dislocation and surface roughening. Magnetic domain evolution in nanocrystalline thin films is also investigated. Numerous simulation studies are performed. Comparison with analytical predictions and experimental observations are presented. Agreement verities the theory and models as realistic simulation tools for computational materials science and engineering. The same Phase Field Microelasticity formalism of individual models of different physical phenomena makes it easy to integrate multiple physical processes into one unified simulation model, where multiple phenomena are treated as various relaxation modes that together act as one common cooperative phenomenon. The model does not impose a priori constraints on possible microstructure evolution paths. This gives the model predicting power, where material system itself "chooses" the optimal path for multiple processes. The advances made in this Thesis present a significant step forward to overcome the first challenge, mesoscale multi-physics modeling and simulation of materials. At the end of this Thesis, the way to tackle the second challenge, bridging over multiple length and time scales in materials modeling and simulation, is discussed based on connection between the mesoscale Phase Field Microelasticity modeling and microscopic atomistic calculation as well as macroscopic continuum theory.

Manual flying of curved precision approaches to landing with electromechanical instrumentation. A piloted simulation study

NASA Technical Reports Server (NTRS)

Knox, Charles E.

1993-01-01

A piloted simulation study was conducted to examine the requirements for using electromechanical flight instrumentation to provide situation information and flight guidance for manually controlled flight along curved precision approach paths to a landing. Six pilots were used as test subjects. The data from these tests indicated that flight director guidance is required for the manually controlled flight of a jet transport airplane on curved approach paths. Acceptable path tracking performance was attained with each of the three situation information algorithms tested. Approach paths with both multiple sequential turns and short final path segments were evaluated. Pilot comments indicated that all the approach paths tested could be used in normal airline operations.

Qubit Architecture with High Coherence and Fast Tunable Coupling.

PubMed

Chen, Yu; Neill, C; Roushan, P; Leung, N; Fang, M; Barends, R; Kelly, J; Campbell, B; Chen, Z; Chiaro, B; Dunsworth, A; Jeffrey, E; Megrant, A; Mutus, J Y; O'Malley, P J J; Quintana, C M; Sank, D; Vainsencher, A; Wenner, J; White, T C; Geller, Michael R; Cleland, A N; Martinis, John M

2014-11-28

We introduce a superconducting qubit architecture that combines high-coherence qubits and tunable qubit-qubit coupling. With the ability to set the coupling to zero, we demonstrate that this architecture is protected from the frequency crowding problems that arise from fixed coupling. More importantly, the coupling can be tuned dynamically with nanosecond resolution, making this architecture a versatile platform with applications ranging from quantum logic gates to quantum simulation. We illustrate the advantages of dynamical coupling by implementing a novel adiabatic controlled-z gate, with a speed approaching that of single-qubit gates. Integrating coherence and scalable control, the introduced qubit architecture provides a promising path towards large-scale quantum computation and simulation.

Simulating Asymmetric Top Impurities in Superfluid Clusters: A para-Water Dopant in para-Hydrogen.

PubMed

Zeng, Tao; Li, Hui; Roy, Pierre-Nicholas

2013-01-03

We present the first simulation study of bosonic clusters doped with an asymmetric top molecule. The path-integral Monte Carlo method with the latest methodological advance in treating rigid-body rotation [Noya, E. G.; Vega, C.; McBride, C. J. Chem. Phys.2011, 134, 054117] is employed to study a para-water impurity in para-hydrogen clusters with up to 20 para-hydrogen molecules. The growth pattern of the doped clusters is similar in nature to that of pure clusters. The para-water molecule appears to rotate freely in the cluster. The presence of para-water substantially quenches the superfluid response of para-hydrogen with respect to the space-fixed frame.

Virtual geotechnical laboratory experiments using a simulator

NASA Astrophysics Data System (ADS)

Penumadu, Dayakar; Zhao, Rongda; Frost, David

2000-04-01

The details of a test simulator that provides a realistic environment for performing virtual laboratory experimentals in soil mechanics is presented. A computer program Geo-Sim that can be used to perform virtual experiments, and allow for real-time observations of material response is presented. The results of experiments, for a given set of input parameters, are obtained with the test simulator using well-trained artificial neural-network-based soil models for different soil types and stress paths. Multimedia capabilities are integrated in Geo-Sim, using software that links and controls a laser disc player with a real-time parallel processing ability. During the simulation of a virtual experiment, relevant portions of the video image of a previously recorded test on an actual soil specimen are dispalyed along with the graphical presentation of response from the feedforward ANN model predictions. The pilot simulator developed to date includes all aspects related to performing a triaxial test on cohesionless soil under undrained and drained conditions. The benefits of the test simulator are also presented.

A Physics-Based Engineering Methodology for Calculating Soft Error Rates of Bulk CMOS and SiGe Heterojunction Bipolar Transistor Integrated Circuits

NASA Astrophysics Data System (ADS)

Fulkerson, David E.

2010-02-01

This paper describes a new methodology for characterizing the electrical behavior and soft error rate (SER) of CMOS and SiGe HBT integrated circuits that are struck by ions. A typical engineering design problem is to calculate the SER of a critical path that commonly includes several circuits such as an input buffer, several logic gates, logic storage, clock tree circuitry, and an output buffer. Using multiple 3D TCAD simulations to solve this problem is too costly and time-consuming for general engineering use. The new and simple methodology handles the problem with ease by simple SPICE simulations. The methodology accurately predicts the measured threshold linear energy transfer (LET) of a bulk CMOS SRAM. It solves for circuit currents and voltage spikes that are close to those predicted by expensive 3D TCAD simulations. It accurately predicts the measured event cross-section vs. LET curve of an experimental SiGe HBT flip-flop. The experimental cross section vs. frequency behavior and other subtle effects are also accurately predicted.

Modeling and Simulation of Phased Array Antennas to Support Next-Generation Satellite Design

NASA Technical Reports Server (NTRS)

Tchorowski, Nicole; Murawski, Robert; Manning, Robert; Fuentes, Michael

2016-01-01

Developing enhanced simulation capabilities has become a significant priority for the Space Communications and Navigation (SCaN) project at NASA as new space communications technologies are proposed to replace aging NASA communications assets, such as the Tracking and Data Relay Satellite System (TDRSS). When developing the architecture for these new space communications assets, it is important to develop updated modeling and simulation methodologies, such that competing architectures can be weighed against one another and the optimal path forward can be determined. There have been many simulation tools developed here at NASA for the simulation of single RF link budgets, or for the modeling and simulation of an entire network of spacecraft and their supporting SCaN network elements. However, the modeling capabilities are never fully complete and as new technologies are proposed, gaps are identified. One such gap is the ability to rapidly develop high fidelity simulation models of electronically steerable phased array systems. As future relay satellite architectures are proposed that include optical communications links, electronically steerable antennas will become more desirable due to the reduction in platform vibration introduced by mechanically steerable devices. In this research, we investigate how modeling of these antennas can be introduced into out overall simulation and modeling structure. The ultimate goal of this research is two-fold. First, to enable NASA engineers to model various proposed simulation architectures and determine which proposed architecture meets the given architectural requirements. Second, given a set of communications link requirements for a proposed satellite architecture, determine the optimal configuration for a phased array antenna. There is a variety of tools available that can be used to model phased array antennas. To meet our stated goals, the first objective of this research is to compare the subset of tools available to us, trading-off modeling fidelity of the tool with simulation performance. When comparing several proposed architectures, higher- fidelity modeling may be desirable, however, when iterating a proposed set of communication link requirements across ranges of phased array configuration parameters, the practicality of performance becomes a significant requirement. In either case, a minimum simulation - fidelity must be met, regardless of performance considerations, which will be discussed in this research. Given a suitable set of phased array modeling tools, this research then focuses on integration with current SCaN modeling and simulation tools. While properly modeling the antenna elements of a system are vital, this is only a small part of the end-to-end communication path between a satellite and the supporting ground station and/or relay satellite assets. To properly model a proposed simulation architecture, this toolset must be integrated with other commercial and government development tools, such that the overall architecture can be examined in terms of communications, reliability, and cost. In this research, integration with previously developed communication tools is investigated.

A computational study of the use of an optimization-based method for simulating large multibody systems.

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

Petra, C.; Gavrea, B.; Anitescu, M.

2009-01-01

The present work aims at comparing the performance of several quadratic programming (QP) solvers for simulating large-scale frictional rigid-body systems. Traditional time-stepping schemes for simulation of multibody systems are formulated as linear complementarity problems (LCPs) with copositive matrices. Such LCPs are generally solved by means of Lemke-type algorithms and solvers such as the PATH solver proved to be robust. However, for large systems, the PATH solver or any other pivotal algorithm becomes unpractical from a computational point of view. The convex relaxation proposed by one of the authors allows the formulation of the integration step as a QPD, for whichmore » a wide variety of state-of-the-art solvers are available. In what follows we report the results obtained solving that subproblem when using the QP solvers MOSEK, OOQP, TRON, and BLMVM. OOQP is presented with both the symmetric indefinite solver MA27 and our Cholesky reformulation using the CHOLMOD package. We investigate computational performance and address the correctness of the results from a modeling point of view. We conclude that the OOQP solver, particularly with the CHOLMOD linear algebra solver, has predictable performance and memory use patterns and is far more competitive for these problems than are the other solvers.« less

Implementation of an Integrated On-Board Aircraft Engine Diagnostic Architecture

NASA Technical Reports Server (NTRS)

Armstrong, Jeffrey B.; Simon, Donald L.

2012-01-01

An on-board diagnostic architecture for aircraft turbofan engine performance trending, parameter estimation, and gas-path fault detection and isolation has been developed and evaluated in a simulation environment. The architecture incorporates two independent models: a realtime self-tuning performance model providing parameter estimates and a performance baseline model for diagnostic purposes reflecting long-term engine degradation trends. This architecture was evaluated using flight profiles generated from a nonlinear model with realistic fleet engine health degradation distributions and sensor noise. The architecture was found to produce acceptable estimates of engine health and unmeasured parameters, and the integrated diagnostic algorithms were able to perform correct fault isolation in approximately 70 percent of the tested cases

On the superposition principle in interference experiments.

PubMed

Sinha, Aninda; H Vijay, Aravind; Sinha, Urbasi

2015-05-14

The superposition principle is usually incorrectly applied in interference experiments. This has recently been investigated through numerics based on Finite Difference Time Domain (FDTD) methods as well as the Feynman path integral formalism. In the current work, we have derived an analytic formula for the Sorkin parameter which can be used to determine the deviation from the application of the principle. We have found excellent agreement between the analytic distribution and those that have been earlier estimated by numerical integration as well as resource intensive FDTD simulations. The analytic handle would be useful for comparing theory with future experiments. It is applicable both to physics based on classical wave equations as well as the non-relativistic Schrödinger equation.

Flat-plate solar array project. Volume 8: Project analysis and integration

NASA Technical Reports Server (NTRS)

Mcguire, P.; Henry, P.

1986-01-01

Project Analysis and Integration (PA&I) performed planning and integration activities to support management of the various Flat-Plate Solar Array (FSA) Project R&D activities. Technical and economic goals were established by PA&I for each R&D task within the project to coordinate the thrust toward the National Photovoltaic Program goals. A sophisticated computer modeling capability was developed to assess technical progress toward meeting the economic goals. These models included a manufacturing facility simulation, a photovoltaic power station simulation and a decision aid model incorporating uncertainty. This family of analysis tools was used to track the progress of the technology and to explore the effects of alternative technical paths. Numerous studies conducted by PA&I signaled the achievement of milestones or were the foundation of major FSA project and national program decisions. The most important PA&I activities during the project history are summarized. The PA&I planning function is discussed and how it relates to project direction and important analytical models developed by PA&I for its analytical and assessment activities are reviewed.

Zero-point energy effects in anion solvation shells.

PubMed

Habershon, Scott

2014-05-21

By comparing classical and quantum-mechanical (path-integral-based) molecular simulations of solvated halide anions X(-) [X = F, Cl, Br and I], we identify an ion-specific quantum contribution to anion-water hydrogen-bond dynamics; this effect has not been identified in previous simulation studies. For anions such as fluoride, which strongly bind water molecules in the first solvation shell, quantum simulations exhibit hydrogen-bond dynamics nearly 40% faster than the corresponding classical results, whereas those anions which form a weakly bound solvation shell, such as iodide, exhibit a quantum effect of around 10%. This observation can be rationalized by considering the different zero-point energy (ZPE) of the water vibrational modes in the first solvation shell; for strongly binding anions, the ZPE of bound water molecules is larger, giving rise to faster dynamics in quantum simulations. These results are consistent with experimental investigations of anion-bound water vibrational and reorientational motion.

Adiabatic coarse-graining and simulations of stochastic biochemical networks

PubMed Central

Sinitsyn, N. A.; Hengartner, Nicolas; Nemenman, Ilya

2009-01-01

We propose a universal approach for analysis and fast simulations of stiff stochastic biochemical networks, which rests on elimination of fast chemical species without a loss of information about mesoscopic, non-Poissonian fluctuations of the slow ones. Our approach is similar to the Born–Oppenheimer approximation in quantum mechanics and follows from the stochastic path integral representation of the cumulant generating function of reaction events. In applications with a small number of chemical reactions, it produces analytical expressions for cumulants of chemical fluxes between the slow variables. This allows for a low-dimensional, interpretable representation and can be used for high-accuracy, low-complexity coarse-grained numerical simulations. As an example, we derive the coarse-grained description for a chain of biochemical reactions and show that the coarse-grained and the microscopic simulations agree, but the former is 3 orders of magnitude faster. PMID:19525397

Measurement of J-integral in CAD/CAM dental ceramics and composite resin by digital image correlation.

PubMed

Jiang, Yanxia; Akkus, Anna; Roperto, Renato; Akkus, Ozan; Li, Bo; Lang, Lisa; Teich, Sorin

2016-09-01

Ceramic and composite resin blocks for CAD/CAM machining of dental restorations are becoming more common. The sample sizes affordable by these blocks are smaller than ideal for stress intensity factor (SIF) based tests. The J-integral measurement calls for full field strain measurement, making it challenging to conduct. Accordingly, the J-integral values of dental restoration materials used in CAD/CAM restorations have not been reported to date. Digital image correlation (DIC) provides full field strain maps, making it possible to calculate the J-integral value. The aim of this study was to measure the J-integral value for CAD/CAM restorative materials. Four types of materials (sintered IPS E-MAX CAD, non-sintered IPS E-MAX CAD, Vita Mark II and Paradigm MZ100) were used to prepare beam samples for three-point bending tests. J-integrals were calculated for different integral path size and locations with respect to the crack tip. J-integral at path 1 for each material was 1.26±0.31×10(-4)MPam for MZ 100, 0.59±0.28×10(-4)MPam for sintered E-MAX, 0.19±0.07×10(-4)MPam for VM II, and 0.21±0.05×10(-4)MPam for non-sintered E-MAX. There were no significant differences between different integral path size, except for the non-sintered E-MAX group. J-integral paths of non-sintered E-MAX located within 42% of the height of the sample provided consistent values whereas outside this range resulted in lower J-integral values. Moreover, no significant difference was found among different integral path locations. The critical SIF was calculated from J-integral (KJ) along with geometry derived SIF values (KI). KI values were comparable with KJ and geometry based SIF values obtained from literature. Therefore, DIC derived J-integral is a reliable way to assess the fracture toughness of small sized specimens for dental CAD/CAM restorative materials; however, with caution applied to the selection of J-integral path. Copyright © 2016 Elsevier Ltd. All rights reserved.

A View on Future Building System Modeling and Simulation

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

Wetter, Michael

This chapter presents what a future environment for building system modeling and simulation may look like. As buildings continue to require increased performance and better comfort, their energy and control systems are becoming more integrated and complex. We therefore focus in this chapter on the modeling, simulation and analysis of building energy and control systems. Such systems can be classified as heterogeneous systems because they involve multiple domains, such as thermodynamics, fluid dynamics, heat and mass transfer, electrical systems, control systems and communication systems. Also, they typically involve multiple temporal and spatial scales, and their evolution can be described bymore » coupled differential equations, discrete equations and events. Modeling and simulating such systems requires a higher level of abstraction and modularisation to manage the increased complexity compared to what is used in today's building simulation programs. Therefore, the trend towards more integrated building systems is likely to be a driving force for changing the status quo of today's building simulation programs. Thischapter discusses evolving modeling requirements and outlines a path toward a future environment for modeling and simulation of heterogeneous building systems.A range of topics that would require many additional pages of discussion has been omitted. Examples include computational fluid dynamics for air and particle flow in and around buildings, people movement, daylight simulation, uncertainty propagation and optimisation methods for building design and controls. For different discussions and perspectives on the future of building modeling and simulation, we refer to Sahlin (2000), Augenbroe (2001) and Malkawi and Augenbroe (2004).« less

Generation of RGB-D data for SLAM using robotic framework V-REP

NASA Astrophysics Data System (ADS)

Gritsenko, Pavel S.; Gritsenko, Igor S.; Seidakhmet, Askar Zh.; Abduraimov, Azizbek E.

2017-09-01

In this article, we will present a methodology to debug RGB-D SLAM systems as well as to generate testing data. We have created a model of a laboratory with an area of 250 m2 (25 × 10) with set of objects of different type. V-REP Microsoft Kinect sensor simulation model was used as a basis for robot vision system. Motion path of the sensor model has multiple loops. We have written a program in V-Rep native language Lua to record data array from the Microsoft Kinect sensor model. The array includes both RGB and Depth streams with full resolution (640 × 480) for every 10 cm of the path. The simulated path has absolute accuracy, since it is a simulation, and is represented by an array of transformation matrices (4 × 4). The length of the data array is 1000 steps or 100 m. The path simulates frequently occurring cases in SLAM, including loops. It is worth noting that the path was modeled for a mobile robot and it is represented by a 2D path parallel to the floor at a height of 40 cm.

Channel Modeling of Miniaturized Battery-Powered Capacitive Human Body Communication Systems.

PubMed

Park, Jiwoong; Garudadri, Harinath; Mercier, Patrick P

2017-02-01

The purpose of this contribution is to estimate the path loss of capacitive human body communication (HBC) systems under practical conditions. Most prior work utilizes large grounded instruments to perform path loss measurements, resulting in overly optimistic path loss estimates for wearable HBC devices. In this paper, small battery-powered transmitter and receiver devices are implemented to measure path loss under realistic assumptions. A hybrid electrostatic finite element method simulation model is presented that validates measurements and enables rapid and accurate characterization of future capacitive HBC systems. Measurements from form-factor-accurate prototypes reveal path loss results between 31.7 and 42.2 dB from 20 to 150 MHz. Simulation results matched measurements within 2.5 dB. Comeasurements using large grounded benchtop vector network analyzer (VNA) and large battery-powered spectrum analyzer (SA) underestimate path loss by up to 33.6 and 8.2 dB, respectively. Measurements utilizing a VNA with baluns, or large battery-powered SAs with baluns still underestimate path loss by up to 24.3 and 6.7 dB, respectively. Measurements of path loss in capacitive HBC systems strongly depend on instrumentation configurations. It is thus imperative to simulate or measure path loss in capacitive HBC systems utilizing realistic geometries and grounding configurations. HBC has a great potential for many emerging wearable devices and applications; accurate path loss estimation will improve system-level design leading to viable products.

Application of Calspan pitch rate control system to the Space Shuttle for approach and landing

NASA Technical Reports Server (NTRS)

Weingarten, N. C.; Chalk, C. R.

1983-01-01

A pitch rate control system designed for use in the shuttle during approach and landing was analyzed and compared with a revised control system developed by NASA and the existing OFT control system. The design concept control system uses filtered pitch rate feedback with proportional plus integral paths in the forward loop. Control system parameters were designed as a function of flight configuration. Analysis included time and frequency domain techniques. Results indicate that both the Calspan and NASA systems significantly improve the flying qualities of the shuttle over the OFT. Better attitude and flight path control and less time delay are the primary reasons. The Calspan system is preferred because of reduced time delay and simpler mechanization. Further testing of the improved flight control systems in an in-flight simulator is recommended.

Effects of forming history on crash simulation of a vehicle

NASA Astrophysics Data System (ADS)

Gökler, M. İ.; Doğan, U. Ç.; Darendeliler, H.

2016-08-01

The effects of forming on the crash simulation of a vehicle have been investigated by considering the load paths produced by sheet metal forming process. The frontal crash analysis has been performed by the finite element method, firstly without considering the forming history, to find out the load paths that absorb the highest energy. The sheet metal forming simulations have been realized for each structural component of the load paths and the frontal crash analysis has been repeated by including forming history. The results of the simulations with and without forming effects have been compared with the physical crash test results available in literature.

Stability of simulated flight path control at +3 Gz in a human centrifuge.

PubMed

Guardiera, Simon; Dalecki, Marc; Bock, Otmar

2010-04-01

Earlier studies have shown that naïve subjects and experienced jet pilots produce exaggerated manual forces when exposed to increased acceleration (+Gz). This study was designed to evaluate whether this exaggeration affects the stability of simulated flight path control. We evaluated naïve subjects' performance in a flight simulator which either remained stationary (+1 Gz), or rotated to induce an acceleration in accordance to the simulated flight path with a mean acceleration of about +3 Gz. In either case, subjects were requested to produce a series of altitude changes in pursuit of a visual target airplane. Resulting flight paths were analyzed to determine the largest oscillation after an altitude change (Oscillation) and the mean deviation between subject and target flight path (Tracking Error). Flight stability after an altitude change was degraded in +3 Gz compared to +1 Gz, as evidenced by larger Oscillations (+11%) and increased Tracking Errors (+80%). These deficits correlated significantly with subjects' +3 Gz deficits in a manual-force production task. We conclude that force exaggeration in +3 Gz may impair flight stability during simulated jet maneuvers in naïve subjects, most likely as a consequence of vestibular stimulation.

A review of path-independent integrals in elastic-plastic fracture mechanics

NASA Technical Reports Server (NTRS)

Kim, Kwang S.; Orange, Thomas W.

1988-01-01

The objective of this paper is to review the path-independent (P-I) integrals in elastic plastic fracture mechanics which have been proposed in recent years to overcome the limitations imposed on the J-integral. The P-I integrals considered are the J-integral by Rice (1968), the thermoelastic P-I integrals by Wilson and Yu (1979) and Gurtin (1979), the J-integral by Blackburn (1972), the J(theta)-integral by Ainsworth et al. (1978), the J-integral by Kishimoto et al. (1980), and the Delta-T(p) and Delta T(p)-asterisk integrals by Alturi et al. (1982). The theoretical foundation of the P-I integrals is examined with an emphasis on whether or not the path independence is maintained in the presence of nonproportional loading and unloading in the plastic regime, thermal gradient, and material inhomogeneities. The simularities, difference, salient features, and limitations of the P-I integrals are discussed. Comments are also made with regard to the physical meaning, the possibility of experimental measurement, and computational aspects.

A review of path-independent integrals in elastic-plastic fracture mechanics, task 4

NASA Technical Reports Server (NTRS)

Kim, K. S.

1985-01-01

The path independent (P-I) integrals in elastic plastic fracture mechanics which have been proposed in recent years to overcome the limitations imposed on the J integral are reviewed. The P-I integrals considered herein are the J integral by Rice, the thermoelastic P-I integrals by Wilson and Yu and by Gurtin, the J* integral by Blackburn, the J sub theta integral by Ainsworth et al., the J integral by Kishimoto et al., and the delta T sub p and delta T* sub p integrals by Atluri et al. The theoretical foundation of these P-I integrals is examined with emphasis on whether or not path independence is maintained in the presence of nonproportional loading and unloading in the plastic regime, thermal gradients, and material inhomogeneities. The similarities, differences, salient features, and limitations of these P-I integrals are discussed. Comments are also made with regard to the physical meaning, the possibility of experimental measurement, and computational aspects.

77 FR 33486 - Certain Integrated Circuit Packages Provided With Multiple Heat-Conducting Paths and Products...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-06

... INTERNATIONAL TRADE COMMISSION [Docket No. 2899] Certain Integrated Circuit Packages Provided With... complaint entitled Certain Integrated Circuit Packages Provided With Multiple Heat-Conducting Paths and..., telephone (202) 205-2000. The public version of the complaint can be accessed on the Commission's electronic...

BOOK REVIEW: Path Integrals in Field Theory: An Introduction

NASA Astrophysics Data System (ADS)

Ryder, Lewis

2004-06-01

In the 1960s Feynman was known to particle physicists as one of the people who solved the major problems of quantum electrodynamics, his contribution famously introducing what are now called Feynman diagrams. To other physicists he gained a reputation as the author of the Feynman Lectures on Physics; in addition some people were aware of his work on the path integral formulation of quantum theory, and a very few knew about his work on gravitation and Yang--Mills theories, which made use of path integral methods. Forty years later the scene is rather different. Many of the problems of high energy physics are solved; and the standard model incorporates Feynman's path integral method as a way of proving the renormalisability of the gauge (Yang--Mills) theories involved. Gravitation is proving a much harder nut to crack, but here also questions of renormalisability are couched in path-integral language. What is more, theoretical studies of condensed matter physics now also appeal to this technique for quantisation, so the path integral method is becoming part of the standard apparatus of theoretical physics. Chapters on it appear in a number of recent books, and a few books have appeared devoted to this topic alone; the book under review is a very recent one. Path integral techniques have the advantage of enormous conceptual appeal and the great disadvantage of mathematical complexity, this being partly the result of messy integrals but more fundamentally due to the notions of functional differentiation and integration which are involved in the method. All in all this subject is not such an easy ride. Mosel's book, described as an introduction, is aimed at graduate students and research workers in particle physics. It assumes a background knowledge of quantum mechanics, both non-relativistic and relativistic. After three chapters on the path integral formulation of non-relativistic quantum mechanics there are eight chapters on scalar and spinor field theory, followed by three on gauge field theories---quantum electrodynamics and Yang--Mills theories, Faddeev--Popov ghosts and so on.There is no treatment of the quantisation of gravity.Thus in about 200 pages the reader has the chance to learn in some detail about a most important area of modern physics. The subject is tough but the style is clear and pedagogic, results for the most part being derived explicitly. The choice of topics included is main-stream and sensible and one has a clear sense that the author knows where he is going and is a reliable guide. Path Integrals in Field Theory is clearly the work of a man with considerable teaching experience and is recommended as a readable and helpful account of a rather non-trivial subject.

A path-level exact parallelization strategy for sequential simulation

NASA Astrophysics Data System (ADS)

Peredo, Oscar F.; Baeza, Daniel; Ortiz, Julián M.; Herrero, José R.

2018-01-01

Sequential Simulation is a well known method in geostatistical modelling. Following the Bayesian approach for simulation of conditionally dependent random events, Sequential Indicator Simulation (SIS) method draws simulated values for K categories (categorical case) or classes defined by K different thresholds (continuous case). Similarly, Sequential Gaussian Simulation (SGS) method draws simulated values from a multivariate Gaussian field. In this work, a path-level approach to parallelize SIS and SGS methods is presented. A first stage of re-arrangement of the simulation path is performed, followed by a second stage of parallel simulation for non-conflicting nodes. A key advantage of the proposed parallelization method is to generate identical realizations as with the original non-parallelized methods. Case studies are presented using two sequential simulation codes from GSLIB: SISIM and SGSIM. Execution time and speedup results are shown for large-scale domains, with many categories and maximum kriging neighbours in each case, achieving high speedup results in the best scenarios using 16 threads of execution in a single machine.

A hip joint simulator study using simplified loading and motion cycles generating physiological wear paths and rates.

PubMed

Barbour, P S; Stone, M H; Fisher, J

1999-01-01

In some designs of hip joint simulator the cost of building a highly complex machine has been offset with the requirement for a large number of test stations. The application of the wear results generated by these machines depends on their ability to reproduce physiological wear rates and processes. In this study a hip joint simulator has been shown to reproduce physiological wear using only one load vector and two degrees of motion with simplified input cycles. The actual path of points on the femoral head relative to the acetabular cup were calculated and compared for physiological and simplified input cycles. The in vitro wear rates were found to be highly dependent on the shape of these paths and similarities could be drawn between the shape of the physiological paths and the simplified elliptical paths.

Importance sampling studies of helium using the Feynman-Kac path integral method

NASA Astrophysics Data System (ADS)

Datta, S.; Rejcek, J. M.

2018-05-01

In the Feynman-Kac path integral approach the eigenvalues of a quantum system can be computed using Wiener measure which uses Brownian particle motion. In our previous work on such systems we have observed that the Wiener process numerically converges slowly for dimensions greater than two because almost all trajectories will escape to infinity. One can speed up this process by using a generalized Feynman-Kac (GFK) method, in which the new measure associated with the trial function is stationary, so that the convergence rate becomes much faster. We thus achieve an example of "importance sampling" and, in the present work, we apply it to the Feynman-Kac (FK) path integrals for the ground and first few excited-state energies for He to speed up the convergence rate. We calculate the path integrals using space averaging rather than the time averaging as done in the past. The best previous calculations from variational computations report precisions of 10-16 Hartrees, whereas in most cases our path integral results obtained for the ground and first excited states of He are lower than these results by about 10-6 Hartrees or more.

The profile algorithm for microwave delay estimation from water vapor radiometer data

NASA Technical Reports Server (NTRS)

Robinson, Steven E.

1988-01-01

A new algorithm has been developed for the estimation of tropospheric microwave path delays from water vapor radiometer (WVR) data, which does not require site and weather dependent empirical parameters to produce accuracy better than 0.3 cm of delay. Instead of taking the conventional linear approach, the new algorithm first uses the observables with an emission model to determine an approximate form of the vertical water vapor distribution, which is then explicitly integrated to estimate wet path delays in a second step. The intrinsic accuracy of this algorithm, excluding uncertainties caused by the radiometers and the emission model, has been examined for two channel WVR data using path delays and corresponding simulated observables computed from archived radiosonde data. It is found that annual rms errors for a wide range of sites average 0.18 cm in the absence of clouds, 0.22 cm in cloudy weather, and 0.19 cm overall. In clear weather, the new algorithm's accuracy is comparable to the best that can be obtained from conventional linear algorithms, while in cloudy weather it offers a 35 percent improvement.

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.

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

Real-time Feynman path integral with Picard–Lefschetz theory and its applications to quantum tunneling

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

Tanizaki, Yuya, E-mail: yuya.tanizaki@riken.jp; Theoretical Research Division, Nishina Center, RIKEN, Wako 351-0198; Koike, Takayuki, E-mail: tkoike@ms.u-tokyo.ac.jp

Picard–Lefschetz theory is applied to path integrals of quantum mechanics, in order to compute real-time dynamics directly. After discussing basic properties of real-time path integrals on Lefschetz thimbles, we demonstrate its computational method in a concrete way by solving three simple examples of quantum mechanics. It is applied to quantum mechanics of a double-well potential, and quantum tunneling is discussed. We identify all of the complex saddle points of the classical action, and their properties are discussed in detail. However a big theoretical difficulty turns out to appear in rewriting the original path integral into a sum of path integralsmore » on Lefschetz thimbles. We discuss generality of that problem and mention its importance. Real-time tunneling processes are shown to be described by those complex saddle points, and thus semi-classical description of real-time quantum tunneling becomes possible on solid ground if we could solve that problem. - Highlights: • Real-time path integral is studied based on Picard–Lefschetz theory. • Lucid demonstration is given through simple examples of quantum mechanics. • This technique is applied to quantum mechanics of the double-well potential. • Difficulty for practical applications is revealed, and we discuss its generality. • Quantum tunneling is shown to be closely related to complex classical solutions.« less

Conversion and control of an all-terrain vehicle for use as an autonomous mobile robot

NASA Astrophysics Data System (ADS)

Jacob, John S.; Gunderson, Robert W.; Fullmer, R. R.

1998-08-01

A systematic approach to ground vehicle automation is presented, combining low-level controls, trajectory generation and closed-loop path correction in an integrated system. Development of cooperative robotics for precision agriculture at Utah State University required the automation of a full-scale motorized vehicle. The Triton Predator 8- wheeled skid-steering all-terrain vehicle was selected for the project based on its ability to maneuver precisely and the simplicity of controlling the hydrostatic drivetrain. Low-level control was achieved by fitting an actuator on the engine throttle, actuators for the left and right drive controls, encoders on the left and right drive shafts to measure wheel speeds, and a signal pick-off on the alternator for measuring engine speed. Closed loop control maintains a desired engine speed and tracks left and right wheel speeds commands. A trajectory generator produces the wheel speed commands needed to steer the vehicle through a predetermined set of map coordinates. A planar trajectory through the points is computed by fitting a 2D cubic spline over each path segment while enforcing initial and final orientation constraints at segment endpoints. Acceleration and velocity profiles are computed for each trajectory segment, with the velocity over each segment dependent on turning radius. Left and right wheel speed setpoints are obtained by combining velocity and path curvature for each low-level timestep. The path correction algorithm uses GPS position and compass orientation information to adjust the wheel speed setpoints according to the 'crosstrack' and 'downtrack' errors and heading error. Nonlinear models of the engine and the skid-steering vehicle/ground interaction were developed for testing the integrated system in simulation. These test lead to several key design improvements which assisted final implementation on the vehicle.

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.

Weinberg propagator of a free massive particle with an arbitrary spin from the BFV-BRST path integral

NASA Astrophysics Data System (ADS)

Zima, V. G.; Fedoruk, S. O.

1999-11-01

The transition amplitude is obtained for a free massive particle of arbitrary spin by calculating the path integral in the index-spinor formulation within the BFV-BRST approach. No renormalizations of the path integral measure were applied. The calculation has given the Weinberg propagator written in the index-free form by the use of an index spinor. The choice of boundary conditions on the index spinor determines the holomorphic or antiholomorphic representation for the canonical description of particle/antiparticle spin.

Crossing Boundaries: Nativity, Ethnicity, and Mate Selection

PubMed Central

Qian, Zhenchao; Glick, Jennifer E.; Baston, Christie

2016-01-01

The influx of immigrants has increased diversity among ethnic minorities and indicates that they may take multiple integration paths in American society. Previous research on ethnic integration often focuses on panethnic differences and few have explored ethnic diversity within a racial or panethnic context. Using 2000 U.S. census data for Puerto Rican, Mexican, Chinese, and Filipino origin individuals, we examine differences in marriage and cohabitation with whites, with other minorities, within a panethnic group, and within an ethnic group by nativity status. Ethnic endogamy is strong and, to a less extent, so is panethnic endogamy. Yet, marital or cohabiting unions with whites remain an important path of integration but differ significantly by ethnicity, nativity, age at arrival, and educational attainment. Meanwhile, ethnic differences in marriage and cohabitation with other racial or ethnic minorities are strong. Our analysis supports that unions with whites remain a major path of integration, but other paths of integration also become viable options for all ethnic groups. PMID:22350840

Assessing Methods for Mapping 2D Field Concentrations of CO2 Over Large Spatial Areas for Monitoring Time Varying Fluctuations

NASA Astrophysics Data System (ADS)

Zaccheo, T. S.; Pernini, T.; Botos, C.; Dobler, J. T.; Blume, N.; Braun, M.; Levine, Z. H.; Pintar, A. L.

2014-12-01

This work presents a methodology for constructing 2D estimates of CO2 field concentrations from integrated open path measurements of CO2 concentrations. It provides a description of the methodology, an assessment based on simulated data and results from preliminary field trials. The Greenhouse gas Laser Imaging Tomography Experiment (GreenLITE) system, currently under development by Exelis and AER, consists of a set of laser-based transceivers and a number of retro-reflectors coupled with a cloud-based compute environment to enable real-time monitoring of integrated CO2 path concentrations, and provides 2D maps of estimated concentrations over an extended area of interest. The GreenLITE transceiver-reflector pairs provide laser absorption spectroscopy (LAS) measurements of differential absorption due to CO2 along intersecting chords within the field of interest. These differential absorption values for the intersecting chords of horizontal path are not only used to construct estimated values of integrated concentration, but also employed in an optimal estimation technique to derive 2D maps of underlying concentration fields. This optimal estimation technique combines these sparse data with in situ measurements of wind speed/direction and an analytic plume model to provide tomographic-like reconstruction of the field of interest. This work provides an assessment of this reconstruction method and preliminary results from the Fall 2014 testing at the Zero Emissions Research and Technology (ZERT) site in Bozeman, Montana. This work is funded in part under the GreenLITE program developed under a cooperative agreement between Exelis and the National Energy and Technology Laboratory (NETL) under the Department of Energy (DOE), contract # DE-FE0012574. Atmospheric and Environmental Research, Inc. is a major partner in this development.

Lefschetz thimbles in fermionic effective models with repulsive vector-field

NASA Astrophysics Data System (ADS)

Mori, Yuto; Kashiwa, Kouji; Ohnishi, Akira

2018-06-01

We discuss two problems in complexified auxiliary fields in fermionic effective models, the auxiliary sign problem associated with the repulsive vector-field and the choice of the cut for the scalar field appearing from the logarithmic function. In the fermionic effective models with attractive scalar and repulsive vector-type interaction, the auxiliary scalar and vector fields appear in the path integral after the bosonization of fermion bilinears. When we make the path integral well-defined by the Wick rotation of the vector field, the oscillating Boltzmann weight appears in the partition function. This "auxiliary" sign problem can be solved by using the Lefschetz-thimble path-integral method, where the integration path is constructed in the complex plane. Another serious obstacle in the numerical construction of Lefschetz thimbles is caused by singular points and cuts induced by multivalued functions of the complexified scalar field in the momentum integration. We propose a new prescription which fixes gradient flow trajectories on the same Riemann sheet in the flow evolution by performing the momentum integration in the complex domain.

A Decade of Change: Training and Career Paths of Cardiothoracic Surgery Residents 2003 to 2014.

PubMed

Stephens, Elizabeth H; Odell, David; Stein, William; LaPar, Damien J; DeNino, Walter F; Aftab, Muhammad; Berfield, Kathleen; Eilers, Amanda L; Groth, Shawn; Lazar, John F; Robich, Michael P; Shah, Asad A; Smith, Danielle A; Stock, Cameron; Tchantchaleishvili, Vakhtang; Mery, Carlos M; Turek, Joseph W; Salazar, Jorge; Nguyen, Tom C

2015-10-01

During the past decade, cardiothoracic surgery (CTS) education has undergone tremendous change with the advent of new technologies and the implementation of integrated programs, to name a few. The goal of this study was to assess how residents' career paths, training, and perceptions changed during this period. The 2006 to 2014 surveys accompanying the Thoracic Surgery Residents Association/Thoracic Surgery Directors' Association in-training examination taken by CTS residents were analyzed, along with a 2003 survey of graduating CTS residents. Of 2,563 residents surveyed, 2,434 (95%) responded. During the decade, fewer residents were interested in mixed adult cardiac/thoracic practice (20% in 2014 vs 52% in 2003, p = 0.004), more planned on additional training (10% in 2003 vs 41% to 47% from 2011 to 2014), and the frequent use of simulation increased from 1% in 2009 to 24% in 2012 (p < 0.001). More residents recommended CTS to potential trainees (79% in 2014 vs 65% in 2010, p = 0.007). Job offers increased from a low of 12% in 2008 with three or more offers to 34% in 2014. Debt increased from 0% with more than $200,000 in 2003 to 40% in 2013 (p < 0.001). Compared with residents in traditional programs, more integrated residents in 2014 were interested in adult cardiac surgery (53% vs 31%) and congenital surgery (22% vs 7%), fewer were interested in general thoracic surgery (5% vs 31%, p < 0.001), and more planned on additional training (66% vs 36%, p < 0.001). With the evolution in CTS over the last decade, residents' training and career paths have changed substantially, with increased specialization and simulation accompanied by increased resident satisfaction and an improved job market. Copyright © 2015 The Society of Thoracic Surgeons. Published by Elsevier Inc. All rights reserved.

Which coordinate system for modelling path integration?

PubMed

Vickerstaff, Robert J; Cheung, Allen

2010-03-21

Path integration is a navigation strategy widely observed in nature where an animal maintains a running estimate, called the home vector, of its location during an excursion. Evidence suggests it is both ancient and ubiquitous in nature, and has been studied for over a century. In that time, canonical and neural network models have flourished, based on a wide range of assumptions, justifications and supporting data. Despite the importance of the phenomenon, consensus and unifying principles appear lacking. A fundamental issue is the neural representation of space needed for biological path integration. This paper presents a scheme to classify path integration systems on the basis of the way the home vector records and updates the spatial relationship between the animal and its home location. Four extended classes of coordinate systems are used to unify and review both canonical and neural network models of path integration, from the arthropod and mammalian literature. This scheme demonstrates analytical equivalence between models which may otherwise appear unrelated, and distinguishes between models which may superficially appear similar. A thorough analysis is carried out of the equational forms of important facets of path integration including updating, steering, searching and systematic errors, using each of the four coordinate systems. The type of available directional cue, namely allothetic or idiothetic, is also considered. It is shown that on balance, the class of home vectors which includes the geocentric Cartesian coordinate system, appears to be the most robust for biological systems. A key conclusion is that deducing computational structure from behavioural data alone will be difficult or impossible, at least in the absence of an analysis of random errors. Consequently it is likely that further theoretical insights into path integration will require an in-depth study of the effect of noise on the four classes of home vectors. Copyright 2009 Elsevier Ltd. All rights reserved.

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.

Leaky Waves in Metamaterials for Antenna Applications

DTIC Science & Technology

2011-07-01

excitation problems, electromagnetic fields are often represented as Sommerfeld integrals [31,32]. A detailed discussion about Sommerfeld integral is...source removed. In the rest of this section, a de- tailed discussion about Sommerfeld Integral Path is presented. 4.1 Spectral Domain Approach 4.1.1... Sommerfeld integral path for evaluating fields accurately and efficiently, the radiation intensity and directivity of electric/magnetic dipoles over a grounded

Koopman-von Neumann formulation of classical Yang-Mills theories: I

NASA Astrophysics Data System (ADS)

Carta, P.; Gozzi, E.; Mauro, D.

2006-03-01

In this paper we present the Koopman-von Neumann (KvN) formulation of classical non-Abelian gauge field theories. In particular we shall explore the functional (or classical path integral) counterpart of the KvN method. In the quantum path integral quantization of Yang-Mills theories concepts like gauge-fixing and Faddeev-Popov determinant appear in a quite natural way. We will prove that these same objects are needed also in this classical path integral formulation for Yang-Mills theories. We shall also explore the classical path integral counterpart of the BFV formalism and build all the associated universal and gauge charges. These last are quite different from the analog quantum ones and we shall show the relation between the two. This paper lays the foundation of this formalism which, due to the many auxiliary fields present, is rather heavy. Applications to specific topics outlined in the paper will appear in later publications.

Measurement of greenhouse gas emissions from agricultural sites using open-path optical remote sensing method.

PubMed

Ro, Kyoung S; Johnson, Melvin H; Varma, Ravi M; Hashmonay, Ram A; Hunt, Patrick

2009-08-01

Improved characterization of distributed emission sources of greenhouse gases such as methane from concentrated animal feeding operations require more accurate methods. One promising method is recently used by the USEPA. It employs a vertical radial plume mapping (VRPM) algorithm using optical remote sensing techniques. We evaluated this method to estimate emission rates from simulated distributed methane sources. A scanning open-path tunable diode laser was used to collect path-integrated concentrations (PICs) along different optical paths on a vertical plane downwind of controlled methane releases. Each cycle consists of 3 ground-level PICs and 2 above ground PICs. Three- to 10-cycle moving averages were used to reconstruct mass equivalent concentration plum maps on the vertical plane. The VRPM algorithm estimated emission rates of methane along with meteorological and PIC data collected concomitantly under different atmospheric stability conditions. The derived emission rates compared well with actual released rates irrespective of atmospheric stability conditions. The maximum error was 22 percent when 3-cycle moving average PICs were used; however, it decreased to 11% when 10-cycle moving average PICs were used. Our validation results suggest that this new VRPM method may be used for improved estimations of greenhouse gas emission from a variety of agricultural sources.

Doppler measurements of the ionosphere on the occasion of the Apollo-Soyuz test project. Part 2: Inversion of differential and rotating Doppler shifts

NASA Technical Reports Server (NTRS)

Gay, R. H.; Grossi, M. D.

1975-01-01

The preparation of the analytical approach and of the related software used in the inversion of the differential and rotating Doppler data obtained from the ionospheric experiment of the Apollo-Soyuz Test Project (ASTP) is discussed. These data were collected in space-to-space paths (between the ASTP Docking Module (DM) and the Apollo Command Service Module and in space-to-ground paths (between the DM and ground). The Doppler links operated at 162 and 324 MHz and have an accuracy better than 3 MHz over 10-sec integration time. The inversion approach was tested with dummy data obtained with a computer simulation. It was found that a measurement accuracy of 1 to 10% in the value of the horizontal electron density gradient at 221-km altitude can be achieved, in space-to-space paths. For space-to-ground paths near the orbital plane, possible effects of the horizontal gradients on the received differential Doppler shifts were identified. It was possible to reduce the gradient-associated errors in the inversion that leads to the columnar electron content by approximately one-half. Accuracies of 5 to 10% in columnar electron content are achievable, with this gradient-compensation technique.

Benchmarking Gas Path Diagnostic Methods: A Public Approach

NASA Technical Reports Server (NTRS)

Simon, Donald L.; Bird, Jeff; Davison, Craig; Volponi, Al; Iverson, R. Eugene

2008-01-01

Recent technology reviews have identified the need for objective assessments of engine health management (EHM) technology. The need is two-fold: technology developers require relevant data and problems to design and validate new algorithms and techniques while engine system integrators and operators need practical tools to direct development and then evaluate the effectiveness of proposed solutions. This paper presents a publicly available gas path diagnostic benchmark problem that has been developed by the Propulsion and Power Systems Panel of The Technical Cooperation Program (TTCP) to help address these needs. The problem is coded in MATLAB (The MathWorks, Inc.) and coupled with a non-linear turbofan engine simulation to produce "snap-shot" measurements, with relevant noise levels, as if collected from a fleet of engines over their lifetime of use. Each engine within the fleet will experience unique operating and deterioration profiles, and may encounter randomly occurring relevant gas path faults including sensor, actuator and component faults. The challenge to the EHM community is to develop gas path diagnostic algorithms to reliably perform fault detection and isolation. An example solution to the benchmark problem is provided along with associated evaluation metrics. A plan is presented to disseminate this benchmark problem to the engine health management technical community and invite technology solutions.

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.

path integral approach to closed form pricing formulas in the Heston framework.

NASA Astrophysics Data System (ADS)

Lemmens, Damiaan; Wouters, Michiel; Tempere, Jacques; Foulon, Sven

2008-03-01

We present a path integral approach for finding closed form formulas for option prices in the framework of the Heston model. The first model for determining option prices was the Black-Scholes model, which assumed that the logreturn followed a Wiener process with a given drift and constant volatility. To provide a realistic description of the market, the Black-Scholes results must be extended to include stochastic volatility. This is achieved by the Heston model, which assumes that the volatility follows a mean reverting square root process. Current applications of the Heston model are hampered by the unavailability of fast numerical methods, due to a lack of closed-form formulae. Therefore the search for closed form solutions is an essential step before the qualitatively better stochastic volatility models will be used in practice. To attain this goal we outline a simplified path integral approach yielding straightforward results for vanilla Heston options with correlation. Extensions to barrier options and other path-dependent option are discussed, and the new derivation is compared to existing results obtained from alternative path-integral approaches (Dragulescu, Kleinert).

A serious game for learning ultrasound-guided needle placement skills.

PubMed

Chan, Wing-Yin; Qin, Jing; Chui, Yim-Pan; Heng, Pheng-Ann

2012-11-01

Ultrasound-guided needle placement is a key step in a lot of radiological intervention procedures such as biopsy, local anesthesia and fluid drainage. To help training future intervention radiologists, we develop a serious game to teach the skills involved. We introduce novel techniques for realistic simulation and integrate game elements for active and effective learning. This game is designed in the context of needle placement training based on the some essential characteristics of serious games. Training scenarios are interactively generated via a block-based construction scheme. A novel example-based texture synthesis technique is proposed to simulate corresponding ultrasound images. Game levels are defined based on the difficulties of the generated scenarios. Interactive recommendation of desirable insertion paths is provided during the training as an adaptation mechanism. We also develop a fast physics-based approach to reproduce the shadowing effect of needles in ultrasound images. Game elements such as time-attack tasks, hints and performance evaluation tools are also integrated in our system. Extensive experiments are performed to validate its feasibility for training.

Failure Diagnosis for the Holdup Tank System via ISFA

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

Li, Huijuan; Bragg-Sitton, Shannon; Smidts, Carol

This paper discusses the use of the integrated system failure analysis (ISFA) technique for fault diagnosis for the holdup tank system. ISFA is a simulation-based, qualitative and integrated approach used to study fault propagation in systems containing both hardware and software subsystems. The holdup tank system consists of a tank containing a fluid whose level is controlled by an inlet valve and an outlet valve. We introduce the component and functional models of the system, quantify the main parameters and simulate possible failure-propagation paths based on the fault propagation approach, ISFA. The results show that most component failures in themore » holdup tank system can be identified clearly and that ISFA is viable as a technique for fault diagnosis. Since ISFA is a qualitative technique that can be used in the very early stages of system design, this case study provides indications that it can be used early to study design aspects that relate to robustness and fault tolerance.« less

The research of autonomous obstacle avoidance of mobile robot based on multi-sensor integration

NASA Astrophysics Data System (ADS)

Zhao, Ming; Han, Baoling

2016-11-01

The object of this study is the bionic quadruped mobile robot. The study has proposed a system design plan for mobile robot obstacle avoidance with the binocular stereo visual sensor and the self-control 3D Lidar integrated with modified ant colony optimization path planning to realize the reconstruction of the environmental map. Because the working condition of a mobile robot is complex, the result of the 3D reconstruction with a single binocular sensor is undesirable when feature points are few and the light condition is poor. Therefore, this system integrates the stereo vision sensor blumblebee2 and the Lidar sensor together to detect the cloud information of 3D points of environmental obstacles. This paper proposes the sensor information fusion technology to rebuild the environment map. Firstly, according to the Lidar data and visual data on obstacle detection respectively, and then consider two methods respectively to detect the distribution of obstacles. Finally fusing the data to get the more complete, more accurate distribution of obstacles in the scene. Then the thesis introduces ant colony algorithm. It has analyzed advantages and disadvantages of the ant colony optimization and its formation cause deeply, and then improved the system with the help of the ant colony optimization to increase the rate of convergence and precision of the algorithm in robot path planning. Such improvements and integrations overcome the shortcomings of the ant colony optimization like involving into the local optimal solution easily, slow search speed and poor search results. This experiment deals with images and programs the motor drive under the compiling environment of Matlab and Visual Studio and establishes the visual 2.5D grid map. Finally it plans a global path for the mobile robot according to the ant colony algorithm. The feasibility and effectiveness of the system are confirmed by ROS and simulation platform of Linux.

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.

Hierarchy of forward-backward stochastic Schrödinger equation

NASA Astrophysics Data System (ADS)

Ke, Yaling; Zhao, Yi

2016-07-01

Driven by the impetus to simulate quantum dynamics in photosynthetic complexes or even larger molecular aggregates, we have established a hierarchy of forward-backward stochastic Schrödinger equation in the light of stochastic unravelling of the symmetric part of the influence functional in the path-integral formalism of reduced density operator. The method is numerically exact and is suited for Debye-Drude spectral density, Ohmic spectral density with an algebraic or exponential cutoff, as well as discrete vibrational modes. The power of this method is verified by performing the calculations of time-dependent population differences in the valuable spin-boson model from zero to high temperatures. By simulating excitation energy transfer dynamics of the realistic full FMO trimer, some important features are revealed.

A Petri-net coordination model for an intelligent mobile robot

NASA Technical Reports Server (NTRS)

Wang, F.-Y.; Kyriakopoulos, K. J.; Tsolkas, A.; Saridis, G. N.

1990-01-01

The authors present a Petri net model of the coordination level of an intelligent mobile robot system (IMRS). The purpose of this model is to specify the integration of the individual efforts on path planning, supervisory motion control, and vision systems that are necessary for the autonomous operation of the mobile robot in a structured dynamic environment. This is achieved by analytically modeling the various units of the system as Petri net transducers and explicitly representing the task precedence and information dependence among them. The model can also be used to simulate the task processing and to evaluate the efficiency of operations and the responsibility of decisions in the coordination level of the IMRS. Some simulation results on the task processing and learning are presented.

Edgeworth expansions of stochastic trading time

NASA Astrophysics Data System (ADS)

Decamps, Marc; De Schepper, Ann

2010-08-01

Under most local and stochastic volatility models the underlying forward is assumed to be a positive function of a time-changed Brownian motion. It relates nicely the implied volatility smile to the so-called activity rate in the market. Following Young and DeWitt-Morette (1986) [8], we propose to apply the Duru-Kleinert process-cum-time transformation in path integral to formulate the transition density of the forward. The method leads to asymptotic expansions of the transition density around a Gaussian kernel corresponding to the average activity in the market conditional on the forward value. The approximation is numerically illustrated for pricing vanilla options under the CEV model and the popular normal SABR model. The asymptotics can also be used for Monte Carlo simulations or backward integration schemes.

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.

O (a) improvement of 2D N = (2 , 2) lattice SYM theory

NASA Astrophysics Data System (ADS)

Hanada, Masanori; Kadoh, Daisuke; Matsuura, So; Sugino, Fumihiko

2018-04-01

We perform a tree-level O (a) improvement of two-dimensional N = (2 , 2) supersymmetric Yang-Mills theory on the lattice, motivated by the fast convergence in numerical simulations. The improvement respects an exact supersymmetry Q which is needed for obtaining the correct continuum limit without a parameter fine tuning. The improved lattice action is given within a milder locality condition in which the interactions are decaying as the exponential of the distance on the lattice. We also prove that the path-integral measure is invariant under the improved Q-transformation.

Aviation Safety Simulation Model

NASA Technical Reports Server (NTRS)

Houser, Scott; Yackovetsky, Robert (Technical Monitor)

2001-01-01

The Aviation Safety Simulation Model is a software tool that enables users to configure a terrain, a flight path, and an aircraft and simulate the aircraft's flight along the path. The simulation monitors the aircraft's proximity to terrain obstructions, and reports when the aircraft violates accepted minimum distances from an obstruction. This model design facilitates future enhancements to address other flight safety issues, particularly air and runway traffic scenarios. This report shows the user how to build a simulation scenario and run it. It also explains the model's output.

Effect of hurricane paths on storm surge response at Tianjin, China

NASA Astrophysics Data System (ADS)

Feng, Xingru; Yin, Baoshu; Yang, Dezhou

2012-06-01

A hurricane induced storm surge simulation system was developed for Tianjin coast, which consists of a hurricane model and a storm surge model. The peak storm surge result of the simulation agreed well with that of the observation. Three observed paths (Rita, Mimie and WINNIE) and a hypothetical path (Rita2) were chosen as the selective hurricane paths according to their positions relative to Tianjin. The sensitivity of Tianjin storm surge to the four paths was investigated using the validated storm surge simulation system. Three groups of experiments were done. In group one, the models were forced by the wind field and air pressure; in group two and three the models were forced by the wind only and the air pressure only respectively. In the experiments, the hurricane moved with a fixed speed and an intensity of 50 year return period. The simulation results show that path of the type Rita2 is the easiest to cause storm surge disaster in Tianjin, and the effect of air pressure forcing is most evident for path of the type Rita in Tianjin storm surge process. The above conclusions were analyzed through the evolution of the wind fields and the air pressure distributions. Comparing the experiment results of Group one, two and three, it can be seen that the storm surge is mainly induced by the wind forcing and the nonlinear interaction between the effect of wind forcing and air pressure forcing on the storm surge tends to weaken the storm surge.

Coordinated path-following and direct yaw-moment control of autonomous electric vehicles with sideslip angle estimation

NASA Astrophysics Data System (ADS)

Guo, Jinghua; Luo, Yugong; Li, Keqiang; Dai, Yifan

2018-05-01

This paper presents a novel coordinated path following system (PFS) and direct yaw-moment control (DYC) of autonomous electric vehicles via hierarchical control technique. In the high-level control law design, a new fuzzy factor is introduced based on the magnitude of longitudinal velocity of vehicle, a linear time varying (LTV)-based model predictive controller (MPC) is proposed to acquire the wheel steering angle and external yaw moment. Then, a pseudo inverse (PI) low-level control allocation law is designed to realize the tracking of desired external moment torque and management of the redundant tire actuators. Furthermore, the vehicle sideslip angle is estimated by the data fusion of low-cost GPS and INS, which can be obtained by the integral of modified INS signals with GPS signals as initial value. Finally, the effectiveness of the proposed control system is validated by the simulation and experimental tests.

Complex modulation using tandem polarization modulators

NASA Astrophysics Data System (ADS)

Hasan, Mehedi; Hall, Trevor

2017-11-01

A novel photonic technique for implementing frequency up-conversion or complex modulation is proposed. The proposed circuit consists of a sandwich of a quarter-wave plate between two polarization modulators, driven, respectively, by an in-phase and quadrature-phase signals. The operation of the circuit is modelled using a transmission matrix method. The theoretical prediction is then validated by simulation using an industry-standard software tool. The intrinsic conversion efficiency of the architecture is improved by 6 dB over a functionally equivalent design based on dual parallel Mach-Zehnder modulators. Non-ideal scenarios such as imperfect alignment of the optical components and power imbalances and phase errors in the electric drive signals are also analysed. As light travels, along one physical path, the proposed design can be implemented using discrete components with greater control of relative optical path length differences. The circuit can further be integrated in any material platform that offers electro-optic polarization modulators.

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.

V/STOLAND digital avionics system for XV-15 tilt rotor

NASA Technical Reports Server (NTRS)

Liden, S.

1980-01-01

A digital flight control system for the tilt rotor research aircraft provides sophisticated navigation, guidance, control, display and data acquisition capabilities for performing terminal area navigation, guidance and control research. All functions of the XV-15 V/STOLAND system were demonstrated on the NASA-ARC S-19 simulation facility under a comprehensive dynamic acceptance test. The most noteworthy accomplishments of the system are: (1) automatic configuration control of a tilt-rotor aircraft over the total operating range; (2) total hands-off landing to touchdown on various selectable straight-in glide slopes and on a flight path that includes a two-revolution helix; (3) automatic guidance along a programmed three-dimensional reference flight path; (4) navigation data for the automatic guidance computed on board, based on VOR/DME, TACAN, or MLS navid data; and (5) integration of a large set of functions in a single computer, utilizing 16k words of storage for programs and data.

Deep-turbulence wavefront sensing using digital holography in the on-axis phase shifting recording geometry

NASA Astrophysics Data System (ADS)

Thornton, Douglas E.; Spencer, Mark F.; Perram, Glen P.

2017-09-01

The effects of deep turbulence in long-range imaging applications presents unique challenges to properly measure and correct for aberrations incurred along the atmospheric path. In practice, digital holography can detect the path-integrated wavefront distortions caused by deep turbulence, and di erent recording geometries offer different benefits depending on the application of interest. Previous studies have evaluated the performance of the off-axis image and pupil plane recording geometries for deep-turbulence sensing. This study models digital holography in the on-axis phase shifting recording geometry using wave optics simulations. In particular, the analysis models spherical-wave propagation through varying deep-turbulence conditions to estimate the complex optical field, and performance is evaluated by calculating the field-estimated Strehl ratio and RMS wavefront error. Altogether, the results show that digital holography in the on-axis phase shifting recording geometry is an effective wavefront-sensing method in the presence of deep turbulence.

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.

Covariant path integrals on hyperbolic surfaces

NASA Astrophysics Data System (ADS)

Schaefer, Joe

1997-11-01

DeWitt's covariant formulation of path integration [B. De Witt, "Dynamical theory in curved spaces. I. A review of the classical and quantum action principles," Rev. Mod. Phys. 29, 377-397 (1957)] has two practical advantages over the traditional methods of "lattice approximations;" there is no ordering problem, and classical symmetries are manifestly preserved at the quantum level. Applying the spectral theorem for unbounded self-adjoint operators, we provide a rigorous proof of the convergence of certain path integrals on Riemann surfaces of constant curvature -1. The Pauli-DeWitt curvature correction term arises, as in DeWitt's work. Introducing a Fuchsian group Γ of the first kind, and a continuous, bounded, Γ-automorphic potential V, we obtain a Feynman-Kac formula for the automorphic Schrödinger equation on the Riemann surface ΓH. We analyze the Wick rotation and prove the strong convergence of the so-called Feynman maps [K. D. Elworthy, Path Integration on Manifolds, Mathematical Aspects of Superspace, edited by Seifert, Clarke, and Rosenblum (Reidel, Boston, 1983), pp. 47-90] on a dense set of states. Finally, we give a new proof of some results in C. Grosche and F. Steiner, "The path integral on the Poincare upper half plane and for Liouville quantum mechanics," Phys. Lett. A 123, 319-328 (1987).

An adaptive multi-level simulation algorithm for stochastic biological systems

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

Lester, C., E-mail: lesterc@maths.ox.ac.uk; Giles, M. B.; Baker, R. E.

2015-01-14

Discrete-state, continuous-time Markov models are widely used in the modeling of biochemical reaction networks. Their complexity often precludes analytic solution, and we rely on stochastic simulation algorithms (SSA) to estimate system statistics. The Gillespie algorithm is exact, but computationally costly as it simulates every single reaction. As such, approximate stochastic simulation algorithms such as the tau-leap algorithm are often used. Potentially computationally more efficient, the system statistics generated suffer from significant bias unless tau is relatively small, in which case the computational time can be comparable to that of the Gillespie algorithm. The multi-level method [Anderson and Higham, “Multi-level Montemore » Carlo for continuous time Markov chains, with applications in biochemical kinetics,” SIAM Multiscale Model. Simul. 10(1), 146–179 (2012)] tackles this problem. A base estimator is computed using many (cheap) sample paths at low accuracy. The bias inherent in this estimator is then reduced using a number of corrections. Each correction term is estimated using a collection of paired sample paths where one path of each pair is generated at a higher accuracy compared to the other (and so more expensive). By sharing random variables between these paired paths, the variance of each correction estimator can be reduced. This renders the multi-level method very efficient as only a relatively small number of paired paths are required to calculate each correction term. In the original multi-level method, each sample path is simulated using the tau-leap algorithm with a fixed value of τ. This approach can result in poor performance when the reaction activity of a system changes substantially over the timescale of interest. By introducing a novel adaptive time-stepping approach where τ is chosen according to the stochastic behaviour of each sample path, we extend the applicability of the multi-level method to such cases. We demonstrate the efficiency of our method using a number of examples.« less

Variety Wins: Soccer-Playing Robots and Infant Walking.

PubMed

Ossmy, Ori; Hoch, Justine E; MacAlpine, Patrick; Hasan, Shohan; Stone, Peter; Adolph, Karen E

2018-01-01

Although both infancy and artificial intelligence (AI) researchers are interested in developing systems that produce adaptive, functional behavior, the two disciplines rarely capitalize on their complementary expertise. Here, we used soccer-playing robots to test a central question about the development of infant walking. During natural activity, infants' locomotor paths are immensely varied. They walk along curved, multi-directional paths with frequent starts and stops. Is the variability observed in spontaneous infant walking a "feature" or a "bug?" In other words, is variability beneficial for functional walking performance? To address this question, we trained soccer-playing robots on walking paths generated by infants during free play and tested them in simulated games of "RoboCup." In Tournament 1, we compared the functional performance of a simulated robot soccer team trained on infants' natural paths with teams trained on less varied, geometric paths-straight lines, circles, and squares. Across 1,000 head-to-head simulated soccer matches, the infant-trained team consistently beat all teams trained with less varied walking paths. In Tournament 2, we compared teams trained on different clusters of infant walking paths. The team trained with the most varied combination of path shape, step direction, number of steps, and number of starts and stops outperformed teams trained with less varied paths. This evidence indicates that variety is a crucial feature supporting functional walking performance. More generally, we propose that robotics provides a fruitful avenue for testing hypotheses about infant development; reciprocally, observations of infant behavior may inform research on artificial intelligence.

Numerical simulation of pseudoelastic shape memory alloys using the large time increment method

NASA Astrophysics Data System (ADS)

Gu, Xiaojun; Zhang, Weihong; Zaki, Wael; Moumni, Ziad

2017-04-01

The paper presents a numerical implementation of the large time increment (LATIN) method for the simulation of shape memory alloys (SMAs) in the pseudoelastic range. The method was initially proposed as an alternative to the conventional incremental approach for the integration of nonlinear constitutive models. It is adapted here for the simulation of pseudoelastic SMA behavior using the Zaki-Moumni model and is shown to be especially useful in situations where the phase transformation process presents little or lack of hardening. In these situations, a slight stress variation in a load increment can result in large variations of strain and local state variables, which may lead to difficulties in numerical convergence. In contrast to the conventional incremental method, the LATIN method solve the global equilibrium and local consistency conditions sequentially for the entire loading path. The achieved solution must satisfy the conditions of static and kinematic admissibility and consistency simultaneously after several iterations. 3D numerical implementation is accomplished using an implicit algorithm and is then used for finite element simulation using the software Abaqus. Computational tests demonstrate the ability of this approach to simulate SMAs presenting flat phase transformation plateaus and subjected to complex loading cases, such as the quasi-static behavior of a stent structure. Some numerical results are contrasted to those obtained using step-by-step incremental integration.

Airborne Collision Detection and Avoidance for Small UAS Sense and Avoid Systems

NASA Astrophysics Data System (ADS)

Sahawneh, Laith Rasmi

The increasing demand to integrate unmanned aircraft systems (UAS) into the national airspace is motivated by the rapid growth of the UAS industry, especially small UAS weighing less than 55 pounds. Their use however has been limited by the Federal Aviation Administration regulations due to collision risk they pose, safety and regulatory concerns. Therefore, before civil aviation authorities can approve routine UAS flight operations, UAS must be equipped with sense-and-avoid technology comparable to the see-and-avoid requirements for manned aircraft. The sense-and-avoid problem includes several important aspects including regulatory and system-level requirements, design specifications and performance standards, intruder detecting and tracking, collision risk assessment, and finally path planning and collision avoidance. In this dissertation, our primary focus is on developing an collision detection, risk assessment and avoidance framework that is computationally affordable and suitable to run on-board small UAS. To begin with, we address the minimum sensing range for the sense-and-avoid (SAA) system. We present an approximate close form analytical solution to compute the minimum sensing range to safely avoid an imminent collision. The approach is then demonstrated using a radar sensor prototype that achieves the required minimum sensing range. In the area of collision risk assessment and collision prediction, we present two approaches to estimate the collision risk of an encounter scenario. The first is a deterministic approach similar to those been developed for Traffic Alert and Collision Avoidance (TCAS) in manned aviation. We extend the approach to account for uncertainties of state estimates by deriving an analytic expression to propagate the error variance using Taylor series approximation. To address unanticipated intruders maneuvers, we propose an innovative probabilistic approach to quantify likely intruder trajectories and estimate the probability of collision risk using the uncorrelated encounter model (UEM) developed by MIT Lincoln Laboratory. We evaluate the proposed approach using Monte Carlo simulations and compare the performance with linearly extrapolated collision detection logic. For the path planning and collision avoidance part, we present multiple reactive path planning algorithms. We first propose a collision avoidance algorithm based on a simulated chain that responds to a virtual force field produced by encountering intruders. The key feature of the proposed approach is to model the future motion of both the intruder and the ownship using a chain of waypoints that are equally spaced in time. This timing information is used to continuously re-plan paths that minimize the probability of collision. Second, we present an innovative collision avoidance logic using an ownship centered coordinate system. The technique builds a graph in the local-level frame and uses the Dijkstra's algorithm to find the least cost path. An advantage of this approach is that collision avoidance is inherently a local phenomenon and can be more naturally represented in the local coordinates than the global coordinates. Finally, we propose a two step path planner for ground-based SAA systems. In the first step, an initial suboptimal path is generated using A* search. In the second step, using the A* solution as an initial condition, a chain of unit masses connected by springs and dampers evolves in a simulated force field. The chain is described by a set of ordinary differential equations that is driven by virtual forces to find the steady-state equilibrium. The simulation results show that the proposed approach produces collision-free plans while minimizing the path length. To move towards a deployable system, we apply collision detection and avoidance techniques to a variety of simulation and sensor modalities including camera, radar and ADS-B along with suitable tracking schemes. Keywords: unmanned aircraft system, small UAS, sense and avoid, minimum sensing range, airborne collision detection and avoidance, collision detection, collision risk assessment, collision avoidance, conflict detection, conflict avoidance, path planning.

Simulation based optimized beam velocity in additive manufacturing

NASA Astrophysics Data System (ADS)

Vignat, Frédéric; Béraud, Nicolas; Villeneuve, François

2017-08-01

Manufacturing good parts with additive technologies rely on melt pool dimension and temperature and are controlled by manufacturing strategies often decided on machine side. Strategies are built on beam path and variable energy input. Beam path are often a mix of contour and hatching strategies filling the contours at each slice. Energy input depend on beam intensity and speed and is determined from simple thermal models to control melt pool dimensions and temperature and ensure porosity free material. These models take into account variation in thermal environment such as overhanging surfaces or back and forth hatching path. However not all the situations are correctly handled and precision is limited. This paper proposes new method to determine energy input from full built chamber 3D thermal simulation. Using the results of the simulation, energy is modified to keep melt pool temperature in a predetermined range. The paper present first an experimental method to determine the optimal range of temperature. In a second part the method to optimize the beam speed from the simulation results is presented. Finally, the optimized beam path is tested in the EBM machine and built part are compared with part built with ordinary beam path.

Creep crack-growth: A new path-independent integral (T sub c), and computational studies. Ph.D. Thesis Final Report

NASA Technical Reports Server (NTRS)

Stonesifer, R. B.; Atluri, S. N.

1982-01-01

The development of valid creep fracture criteria is considered. Two path-independent integral parameters which show some degree of promise are the C* and (Delta T)sub c integrals. The mathematical aspects of these parameters are reviewed by deriving generalized vector forms of the parameters using conservation laws which are valid for arbitrary, three dimensional, cracked bodies with crack surface tractions (or applied displacements), body forces, inertial effects, and large deformations. Two principal conclusions are that (Delta T)sub c has an energy rate interpretation whereas C* does not. The development and application of fracture criteria often involves the solution of boundary/initial value problems associated with deformation and stresses. The finite element method is used for this purpose. An efficient, small displacement, infinitesimal strain, displacement based finite element model is specialized to two dimensional plane stress and plane strain and to power law creep constitutive relations. A mesh shifting/remeshing procedure is used for simulating crack growth. The model is implemented with the quartz-point node technique and also with specially developed, conforming, crack-tip singularity elements which provide for the r to the n-(1+n) power strain singularity associated with the HRR crack-tip field. Comparisons are made with a variety of analytical solutions and alternate numerical solutions for a number of problems.

The LSST Scheduler from design to construction

NASA Astrophysics Data System (ADS)

Delgado, Francisco; Reuter, Michael A.

2016-07-01

The Large Synoptic Survey Telescope (LSST) will be a highly robotic facility, demanding a very high efficiency during its operation. To achieve this, the LSST Scheduler has been envisioned as an autonomous software component of the Observatory Control System (OCS), that selects the sequence of targets in real time. The Scheduler will drive the survey using optimization of a dynamic cost function of more than 200 parameters. Multiple science programs produce thousands of candidate targets for each observation, and multiple telemetry measurements are received to evaluate the external and the internal conditions of the observatory. The design of the LSST Scheduler started early in the project supported by Model Based Systems Engineering, detailed prototyping and scientific validation of the survey capabilities required. In order to build such a critical component, an agile development path in incremental releases is presented, integrated to the development plan of the Operations Simulator (OpSim) to allow constant testing, integration and validation in a simulated OCS environment. The final product is a Scheduler that is also capable of running 2000 times faster than real time in simulation mode for survey studies and scientific validation during commissioning and operations.

Method for Vibration Response Simulation and Sensor Placement Optimization of a Machine Tool Spindle System with a Bearing Defect

PubMed Central

Cao, Hongrui; Niu, Linkai; He, Zhengjia

2012-01-01

Bearing defects are one of the most important mechanical sources for vibration and noise generation in machine tool spindles. In this study, an integrated finite element (FE) model is proposed to predict the vibration responses of a spindle bearing system with localized bearing defects and then the sensor placement for better detection of bearing faults is optimized. A nonlinear bearing model is developed based on Jones' bearing theory, while the drawbar, shaft and housing are modeled as Timoshenko's beam. The bearing model is then integrated into the FE model of drawbar/shaft/housing by assembling equations of motion. The Newmark time integration method is used to solve the vibration responses numerically. The FE model of the spindle-bearing system was verified by conducting dynamic tests. Then, the localized bearing defects were modeled and vibration responses generated by the outer ring defect were simulated as an illustration. The optimization scheme of the sensor placement was carried out on the test spindle. The results proved that, the optimal sensor placement depends on the vibration modes under different boundary conditions and the transfer path between the excitation and the response. PMID:23012514

Rarefaction effects in gas flows over curved surfaces

NASA Astrophysics Data System (ADS)

Dongari, Nishanth; White, Craig; Scanlon, Thomas J.; Zhang, Yonghao; Reese, Jason M.

2012-11-01

The fundamental test case of gas flow between two concentric rotating cylinders is considered in order to investigate rarefaction effects associated with the Knudsen layers over curved surfaces. We carry out direct simulation Monte Carlo simulations covering a wide range of Knudsen numbers and accommodation coefficients, and for various outer-to-inner cylinder radius ratios. Numerical data is compared with classical slip flow theory and a new power-law (PL) wall scaling model. The PL model incorporates Knudsen layer effects in near-wall regions by taking into account the boundary limiting effects on the molecular free paths. The limitations of both theoretical models are explored with respect to rarefaction and curvature effects. Torque and velocity profile comparisons also convey that mere prediction of integral flow parameters does not guarantee the accuracy of a theoretical model, and that it is important to ensure that prediction of the local flowfield is in agreement with simulation data.

Off-diagonal expansion quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Albash, Tameem; Wagenbreth, Gene; Hen, Itay

2017-12-01

We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a decomposition of the quantum partition function that can be viewed as a series expansion about its classical part. We argue that the algorithm not only provides a theoretical advancement in the field of quantum Monte Carlo simulations, but is optimally suited to tackle quantum many-body systems that exhibit a range of behaviors from "fully quantum" to "fully classical," in contrast to many existing methods. We demonstrate the advantages, sometimes by orders of magnitude, of the technique by comparing it against existing state-of-the-art schemes such as path integral quantum Monte Carlo and stochastic series expansion. We also illustrate how our method allows for the unification of quantum and classical thermal parallel tempering techniques into a single algorithm and discuss its practical significance.

Advanced Shock Position Control for Mode Transition in a Turbine Based Combined Cycle Engine Inlet Model

NASA Technical Reports Server (NTRS)

Csank, Jeffrey T.; Stueber, Thomas J.

2013-01-01

A dual flow-path inlet system is being tested to evaluate methodologies for a Turbine Based Combined Cycle (TBCC) propulsion system to perform a controlled inlet mode transition. Prior to experimental testing, simulation models are used to test, debug, and validate potential control algorithms. One simulation package being used for testing is the High Mach Transient Engine Cycle Code simulation, known as HiTECC. This paper discusses the closed loop control system, which utilizes a shock location sensor to improve inlet performance and operability. Even though the shock location feedback has a coarse resolution, the feedback allows for a reduction in steady state error and, in some cases, better performance than with previous proposed pressure ratio based methods. This paper demonstrates the design and benefit with the implementation of a proportional-integral controller, an H-Infinity based controller, and a disturbance observer based controller.

Visual simulation of fatigue crack growth

NASA Astrophysics Data System (ADS)

Wang, Shuanzhu; Margolin, Harold; Lin, Fengbao

1998-07-01

An attempt has been made to visually simulate fatigue crack propagation from a precrack. An integrated program was developed for this purpose. The crack-tip shape was determined at four load positions in the first load cycle. The final shape was a blunt front with an “ear” profile at the precrack tip. A more general model, schematically illustrating the mechanism of fatigue crack growth and striation formation in a ductile material, was proposed based on this simulation. According to the present model, fatigue crack growth is an intermittent process; cyclic plastic shear strain is the driving force applied to both state I and II crack growth. No fracture mode transition occurs between the two stages in the present study. The crack growth direction alternates, moving up and down successively, producing fatigue striations. A brief examination has been made of the crack growth path in a ductile two-phase material.

Off-diagonal expansion quantum Monte Carlo.

PubMed

Albash, Tameem; Wagenbreth, Gene; Hen, Itay

2017-12-01

We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a decomposition of the quantum partition function that can be viewed as a series expansion about its classical part. We argue that the algorithm not only provides a theoretical advancement in the field of quantum Monte Carlo simulations, but is optimally suited to tackle quantum many-body systems that exhibit a range of behaviors from "fully quantum" to "fully classical," in contrast to many existing methods. We demonstrate the advantages, sometimes by orders of magnitude, of the technique by comparing it against existing state-of-the-art schemes such as path integral quantum Monte Carlo and stochastic series expansion. We also illustrate how our method allows for the unification of quantum and classical thermal parallel tempering techniques into a single algorithm and discuss its practical significance.

Thermal Boundary Layer Effects on Line-of-Sight Tunable Diode Laser Absorption Spectroscopy (TDLAS) Gas Concentration Measurements.

PubMed

Qu, Zhechao; Werhahn, Olav; Ebert, Volker

2018-06-01

The effects of thermal boundary layers on tunable diode laser absorption spectroscopy (TDLAS) measurement results must be quantified when using the line-of-sight (LOS) TDLAS under conditions with spatial temperature gradient. In this paper, a new methodology based on spectral simulation is presented quantifying the LOS TDLAS measurement deviation under conditions with thermal boundary layers. The effects of different temperature gradients and thermal boundary layer thickness on spectral collisional widths and gas concentration measurements are quantified. A CO 2 TDLAS spectrometer, which has two gas cells to generate the spatial temperature gradients, was employed to validate the simulation results. The measured deviations and LOS averaged collisional widths are in very good agreement with the simulated results for conditions with different temperature gradients. We demonstrate quantification of thermal boundary layers' thickness with proposed method by exploitation of the LOS averaged the collisional width of the path-integrated spectrum.

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.

A theoretical framework to predict the most likely ion path in particle imaging.

PubMed

Collins-Fekete, Charles-Antoine; Volz, Lennart; Portillo, Stephen K N; Beaulieu, Luc; Seco, Joao

2017-03-07

In this work, a generic rigorous Bayesian formalism is introduced to predict the most likely path of any ion crossing a medium between two detection points. The path is predicted based on a combination of the particle scattering in the material and measurements of its initial and final position, direction and energy. The path estimate's precision is compared to the Monte Carlo simulated path. Every ion from hydrogen to carbon is simulated in two scenarios, (1) where the range is fixed and (2) where the initial velocity is fixed. In the scenario where the range is kept constant, the maximal root-mean-square error between the estimated path and the Monte Carlo path drops significantly between the proton path estimate (0.50 mm) and the helium path estimate (0.18 mm), but less so up to the carbon path estimate (0.09 mm). However, this scenario is identified as the configuration that maximizes the dose while minimizing the path resolution. In the scenario where the initial velocity is fixed, the maximal root-mean-square error between the estimated path and the Monte Carlo path drops significantly between the proton path estimate (0.29 mm) and the helium path estimate (0.09 mm) but increases for heavier ions up to carbon (0.12 mm). As a result, helium is found to be the particle with the most accurate path estimate for the lowest dose, potentially leading to tomographic images of higher spatial resolution.

Multispectral scanner system parameter study and analysis software system description, volume 2

NASA Technical Reports Server (NTRS)

Landgrebe, D. A. (Principal Investigator); Mobasseri, B. G.; Wiersma, D. J.; Wiswell, E. R.; Mcgillem, C. D.; Anuta, P. E.

1978-01-01

The author has identified the following significant results. The integration of the available methods provided the analyst with the unified scanner analysis package (USAP), the flexibility and versatility of which was superior to many previous integrated techniques. The USAP consisted of three main subsystems; (1) a spatial path, (2) a spectral path, and (3) a set of analytic classification accuracy estimators which evaluated the system performance. The spatial path consisted of satellite and/or aircraft data, data correlation analyzer, scanner IFOV, and random noise model. The output of the spatial path was fed into the analytic classification and accuracy predictor. The spectral path consisted of laboratory and/or field spectral data, EXOSYS data retrieval, optimum spectral function calculation, data transformation, and statistics calculation. The output of the spectral path was fended into the stratified posterior performance estimator.

Neural basis of the cognitive map: path integration does not require hippocampus or entorhinal cortex.

PubMed

Shrager, Yael; Kirwan, C Brock; Squire, Larry R

2008-08-19

The hippocampus and entorhinal cortex have been linked to both memory functions and to spatial cognition, but it has been unclear how these ideas relate to each other. An important part of spatial cognition is the ability to keep track of a reference location using self-motion cues (sometimes referred to as path integration), and it has been suggested that the hippocampus or entorhinal cortex is essential for this ability. Patients with hippocampal lesions or larger lesions that also included entorhinal cortex were led on paths while blindfolded (up to 15 m in length) and were asked to actively maintain the path in mind. Patients pointed to and estimated their distance from the start location as accurately as controls. A rotation condition confirmed that performance was based on self-motion cues. When demands on long-term memory were increased, patients were impaired. Thus, in humans, the hippocampus and entorhinal cortex are not essential for path integration.

Computing thermal Wigner densities with the phase integration method

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

Beutier, J.; Borgis, D.; Vuilleumier, R.

2014-08-28

We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta andmore » coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.« less

High-frequency Born synthetic seismograms based on coupled normal modes

USGS Publications Warehouse

Pollitz, Fred F.

2011-01-01

High-frequency and full waveform synthetic seismograms on a 3-D laterally heterogeneous earth model are simulated using the theory of coupled normal modes. The set of coupled integral equations that describe the 3-D response are simplified into a set of uncoupled integral equations by using the Born approximation to calculate scattered wavefields and the pure-path approximation to modulate the phase of incident and scattered wavefields. This depends upon a decomposition of the aspherical structure into smooth and rough components. The uncoupled integral equations are discretized and solved in the frequency domain, and time domain results are obtained by inverse Fourier transform. Examples show the utility of the normal mode approach to synthesize the seismic wavefields resulting from interaction with a combination of rough and smooth structural heterogeneities. This approach is applied to an ∼4 Hz shallow crustal wave propagation around the site of the San Andreas Fault Observatory at Depth (SAFOD).

Computing thermal Wigner densities with the phase integration method.

PubMed

Beutier, J; Borgis, D; Vuilleumier, R; Bonella, S

2014-08-28

We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.

Statistical Methodologies to Integrate Experimental and Computational Research

NASA Technical Reports Server (NTRS)

Parker, P. A.; Johnson, R. T.; Montgomery, D. C.

2008-01-01

Development of advanced algorithms for simulating engine flow paths requires the integration of fundamental experiments with the validation of enhanced mathematical models. In this paper, we provide an overview of statistical methods to strategically and efficiently conduct experiments and computational model refinement. Moreover, the integration of experimental and computational research efforts is emphasized. With a statistical engineering perspective, scientific and engineering expertise is combined with statistical sciences to gain deeper insights into experimental phenomenon and code development performance; supporting the overall research objectives. The particular statistical methods discussed are design of experiments, response surface methodology, and uncertainty analysis and planning. Their application is illustrated with a coaxial free jet experiment and a turbulence model refinement investigation. Our goal is to provide an overview, focusing on concepts rather than practice, to demonstrate the benefits of using statistical methods in research and development, thereby encouraging their broader and more systematic application.

Addendum to "Free energies from integral equation theories: enforcing path independence".

PubMed

Kast, Stefan M

2006-01-01

The variational formalism developed for the analysis of the path dependence of free energies from integral equation theories [S. M. Kast, Phys. Rev. E 67, 041203 (2003)] is extended in order to allow for the three-dimensional treatment of arbitrarily shaped solutes.

A theory for the radiation of magnetohydrodynamic surface waves and body waves into the solar corona

NASA Technical Reports Server (NTRS)

Davila, Joseph M.

1988-01-01

The Green's function for the slab coronal hole is obtained explicitly. The Fourier integral representation for the radiated field inside and outside the coronal hole waveguide is obtained. The radiated field outside the coronal hole is calculated using the method of steepest descents. It is shown that the radiated field can be written as the sum of two contributions: (1) a contribution from the integral along the steepest descent path and (2) a contribution from all the poles of the integrand between the path of the original integral and the steepest descent path. The free oscillations of the waveguide can be associated with the pole contributions in the steepest descent representation for the Green's function. These pole contributions are essentially generalized surface waves with a maximum amplitude near the interface which separates the plasma inside the coronal hole from the surrounding background corona. The path contribution to the integral is essentially the power radiated in body waves.

Self-organizing path integration using a linked continuous attractor and competitive network: path integration of head direction.

PubMed

Stringer, Simon M; Rolls, Edmund T

2006-12-01

A key issue is how networks in the brain learn to perform path integration, that is update a represented position using a velocity signal. Using head direction cells as an example, we show that a competitive network could self-organize to learn to respond to combinations of head direction and angular head rotation velocity. These combination cells can then be used to drive a continuous attractor network to the next head direction based on the incoming rotation signal. An associative synaptic modification rule with a short term memory trace enables preceding combination cell activity during training to be associated with the next position in the continuous attractor network. The network accounts for the presence of neurons found in the brain that respond to combinations of head direction and angular head rotation velocity. Analogous networks in the hippocampal system could self-organize to perform path integration of place and spatial view representations.

Application of path-integral quantization to indistinguishable particle systems topologically confined by a magnetic field

NASA Astrophysics Data System (ADS)

Jacak, Janusz E.

2018-01-01

We demonstrate an original development of path-integral quantization in the case of a multiply connected configuration space of indistinguishable charged particles on a 2D manifold and exposed to a strong perpendicular magnetic field. The system occurs to be exceptionally homotopy-rich and the structure of the homotopy essentially depends on the magnetic field strength resulting in multiloop trajectories at specific conditions. We have proved, by a generalization of the Bohr-Sommerfeld quantization rule, that the size of a magnetic field flux quantum grows for multiloop orbits like (2 k +1 ) h/c with the number of loops k . Utilizing this property for electrons on the 2D substrate jellium, we have derived upon the path integration a complete FQHE hierarchy in excellent consistence with experiments. The path integral has been next developed to a sum over configurations, displaying various patterns of trajectory homotopies (topological configurations), which in the nonstationary case of quantum kinetics, reproduces some unclear formerly details in the longitudinal resistivity observed in experiments.

Accelerating Sequential Gaussian Simulation with a constant path

NASA Astrophysics Data System (ADS)

Nussbaumer, Raphaël; Mariethoz, Grégoire; Gravey, Mathieu; Gloaguen, Erwan; Holliger, Klaus

2018-03-01

Sequential Gaussian Simulation (SGS) is a stochastic simulation technique commonly employed for generating realizations of Gaussian random fields. Arguably, the main limitation of this technique is the high computational cost associated with determining the kriging weights. This problem is compounded by the fact that often many realizations are required to allow for an adequate uncertainty assessment. A seemingly simple way to address this problem is to keep the same simulation path for all realizations. This results in identical neighbourhood configurations and hence the kriging weights only need to be determined once and can then be re-used in all subsequent realizations. This approach is generally not recommended because it is expected to result in correlation between the realizations. Here, we challenge this common preconception and make the case for the use of a constant path approach in SGS by systematically evaluating the associated benefits and limitations. We present a detailed implementation, particularly regarding parallelization and memory requirements. Extensive numerical tests demonstrate that using a constant path allows for substantial computational gains with very limited loss of simulation accuracy. This is especially the case for a constant multi-grid path. The computational savings can be used to increase the neighbourhood size, thus allowing for a better reproduction of the spatial statistics. The outcome of this study is a recommendation for an optimal implementation of SGS that maximizes accurate reproduction of the covariance structure as well as computational efficiency.

A sophisticated simulation for the fracture behavior of concrete material using XFEM

NASA Astrophysics Data System (ADS)

Zhai, Changhai; Wang, Xiaomin; Kong, Jingchang; Li, Shuang; Xie, Lili

2017-10-01

The development of a powerful numerical model to simulate the fracture behavior of concrete material has long been one of the dominant research areas in earthquake engineering. A reliable model should be able to adequately represent the discontinuous characteristics of cracks and simulate various failure behaviors under complicated loading conditions. In this paper, a numerical formulation, which incorporates a sophisticated rigid-plastic interface constitutive model coupling cohesion softening, contact, friction and shear dilatation into the XFEM, is proposed to describe various crack behaviors of concrete material. An effective numerical integration scheme for accurately assembling the contribution to the weak form on both sides of the discontinuity is introduced. The effectiveness of the proposed method has been assessed by simulating several well-known experimental tests. It is concluded that the numerical method can successfully capture the crack paths and accurately predict the fracture behavior of concrete structures. The influence of mode-II parameters on the mixed-mode fracture behavior is further investigated to better determine these parameters.

Nuclear quantum effects of light and heavy water studied by all-electron first principles path integral simulations

NASA Astrophysics Data System (ADS)

Machida, Masahiko; Kato, Koichiro; Shiga, Motoyuki

2018-03-01

The isotopologs of liquid water, H2O, D2O, and T2O, are studied systematically by first principles PIMD simulations, in which the whole entity of the electrons and nuclei are treated quantum mechanically. The simulation results are in reasonable agreement with available experimental data on isotope effects, in particular, on the peak shift in the radial distributions of H2O and D2O and the shift in the evaporation energies. It is found that, due to differences in nuclear quantum effects, the H atoms in the OH bonds more easily access the dissociative region up to the hydrogen bond center than the D (T) atoms in the OD (OT) bonds. The accuracy and limitation in the use of the current density-functional-theory-based first principles PIMD simulations are also discussed. It is argued that the inclusion of the dispersion correction or relevant improvements in the density functionals are required for the quantitative estimation of isotope effects.

Unmanned Aircraft Systems (UAS) Integration in the National Airspace System (NAS) Project: KDP-A for Phase 2 Minimum Operational Performance Standards

NASA Technical Reports Server (NTRS)

Grindle, Laurie; Hackenberg, Davis L.

2016-01-01

UAS Integration in the NAS Project has: a) Developed Technical Challenges that are crucial to UAS integration, aligned with NASA's Strategic Plan and Thrusts, and support FAA standards development. b) Demonstrated rigorous project management processes through the execution of previous phases. c) Defined Partnership Plans. d) Established path to KDP-C. Request approval of Technical Challenges, execution of partnerships and plans, and execution of near-term FY17 activities. There is an increasing need to fly UAS in the NAS to perform missions of vital importance to National Security and Defense, Emergency Management, and Science. There is also an emerging need to enable commercial applications such as cargo transport (e.g. FedEx). Unencumbered NAS Access for Civil/Commercial UAS. Provide research findings, utilizing simulation and flight tests, to support the development and validation of DAA and C2 technologies necessary for integrating Unmanned Aircraft Systems into the National Airspace System.

PathJam: a new service for integrating biological pathway information.

PubMed

Glez-Peña, Daniel; Reboiro-Jato, Miguel; Domínguez, Rubén; Gómez-López, Gonzalo; Pisano, David G; Fdez-Riverola, Florentino

2010-10-28

Biological pathways are crucial to much of the scientific research today including the study of specific biological processes related with human diseases. PathJam is a new comprehensive and freely accessible web-server application integrating scattered human pathway annotation from several public sources. The tool has been designed for both (i) being intuitive for wet-lab users providing statistical enrichment analysis of pathway annotations and (ii) giving support to the development of new integrative pathway applications. PathJam’s unique features and advantages include interactive graphs linking pathways and genes of interest, downloadable results in fully compatible formats, GSEA compatible output files and a standardized RESTful API.

Integrative Families and Systems Treatment: A Middle Path toward Integrating Common and Specific Factors in Evidence-Based Family Therapy

ERIC Educational Resources Information Center

Fraser, J. Scott; Solovey, Andrew D.; Grove, David; Lee, Mo Yee; Greene, Gilbert J.

2012-01-01

A moderate common factors approach is proposed as a synthesis or middle path to integrate common and specific factors in evidence-based approaches to high-risk youth and families. The debate in family therapy between common and specific factors camps is reviewed and followed by suggestions from the literature for synthesis and creative flexibility…

Optical modeling based on mean free path calculations for quantum dot phosphors applied to optoelectronic devices.

PubMed

Shin, Min-Ho; Kim, Hyo-Jun; Kim, Young-Joo

2017-02-20

We proposed an optical simulation model for the quantum dot (QD) nanophosphor based on the mean free path concept to understand precisely the optical performance of optoelectronic devices. A measurement methodology was also developed to get the desired optical characteristics such as the mean free path and absorption spectra for QD nanophosphors which are to be incorporated into the simulation. The simulation results for QD-based white LED and OLED displays show good agreement with the experimental values from the fabricated devices in terms of spectral power distribution, chromaticity coordinate, CCT, and CRI. The proposed simulation model and measurement methodology can be applied easily to the design of lots of optoelectronics devices using QD nanophosphors to obtain high efficiency and the desired color characteristics.

Design process for applying the nonlocal thermal transport iSNB model to a Polar-Drive ICF simulation

NASA Astrophysics Data System (ADS)

Cao, Duc; Moses, Gregory; Delettrez, Jacques; Collins, Timothy

2014-10-01

A design process is presented for the nonlocal thermal transport iSNB (implicit Schurtz, Nicolai, and Busquet) model to provide reliable nonlocal thermal transport in polar-drive ICF simulations. Results from the iSNB model are known to be sensitive to changes in the SNB ``mean free path'' formula, and the latter's original form required modification to obtain realistic preheat levels. In the presented design process, SNB mean free paths are first modified until the model can match temperatures from Goncharov's thermal transport model in 1D temperature relaxation simulations. Afterwards the same mean free paths are tested in a 1D polar-drive surrogate simulation to match adiabats from Goncharov's model. After passing the two previous steps, the model can then be run in a full 2D polar-drive simulation. This research is supported by the University of Rochester Laboratory for Laser Energetics.

When Affordances Climb into Your Mind: Advantages of Motor Simulation in a Memory Task Performed by Novice and Expert Rock Climbers

ERIC Educational Resources Information Center

Pezzulo, Giovanni; Barca, Laura; Bocconi, Alessandro Lamberti; Borghi, Anna M.

2010-01-01

Does the sight of multiple climbing holds laid along a path activate a motor simulation of climbing that path? One way of testing whether multiple affordances and their displacement influence the formation of a motor simulation is to study acquired motor skills. We used a behavioral task in which expert and novice rock climbers were shown three…

Bragg peak prediction from quantitative proton computed tomography using different path estimates

PubMed Central

Wang, Dongxu; Mackie, T Rockwell

2015-01-01

This paper characterizes the performance of the straight-line path (SLP) and cubic spline path (CSP) as path estimates used in reconstruction of proton computed tomography (pCT). The GEANT4 Monte Carlo simulation toolkit is employed to simulate the imaging phantom and proton projections. SLP, CSP and the most-probable path (MPP) are constructed based on the entrance and exit information of each proton. The physical deviations of SLP, CSP and MPP from the real path are calculated. Using a conditional proton path probability map, the relative probability of SLP, CSP and MPP are calculated and compared. The depth dose and Bragg peak are predicted on the pCT images reconstructed using SLP, CSP, and MPP and compared with the simulation result. The root-mean-square physical deviations and the cumulative distribution of the physical deviations show that the performance of CSP is comparable to MPP while SLP is slightly inferior. About 90% of the SLP pixels and 99% of the CSP pixels lie in the 99% relative probability envelope of the MPP. Even at an imaging dose of ~0.1 mGy the proton Bragg peak for a given incoming energy can be predicted on the pCT image reconstructed using SLP, CSP, or MPP with 1 mm accuracy. This study shows that SLP and CSP, like MPP, are adequate path estimates for pCT reconstruction, and therefore can be chosen as the path estimation method for pCT reconstruction, which can aid the treatment planning and range prediction of proton radiation therapy. PMID:21212472

Iterative blip-summed path integral for quantum dynamics in strongly dissipative environments

NASA Astrophysics Data System (ADS)

Makri, Nancy

2017-04-01

The iterative decomposition of the blip-summed path integral [N. Makri, J. Chem. Phys. 141, 134117 (2014)] is described. The starting point is the expression of the reduced density matrix for a quantum system interacting with a harmonic dissipative bath in the form of a forward-backward path sum, where the effects of the bath enter through the Feynman-Vernon influence functional. The path sum is evaluated iteratively in time by propagating an array that stores blip configurations within the memory interval. Convergence with respect to the number of blips and the memory length yields numerically exact results which are free of statistical error. In situations of strongly dissipative, sluggish baths, the algorithm leads to a dramatic reduction of computational effort in comparison with iterative path integral methods that do not implement the blip decomposition. This gain in efficiency arises from (i) the rapid convergence of the blip series and (ii) circumventing the explicit enumeration of between-blip path segments, whose number grows exponentially with the memory length. Application to an asymmetric dissipative two-level system illustrates the rapid convergence of the algorithm even when the bath memory is extremely long.

Quasi-Monte Carlo Methods Applied to Tau-Leaping in Stochastic Biological Systems.

PubMed

Beentjes, Casper H L; Baker, Ruth E

2018-05-25

Quasi-Monte Carlo methods have proven to be effective extensions of traditional Monte Carlo methods in, amongst others, problems of quadrature and the sample path simulation of stochastic differential equations. By replacing the random number input stream in a simulation procedure by a low-discrepancy number input stream, variance reductions of several orders have been observed in financial applications. Analysis of stochastic effects in well-mixed chemical reaction networks often relies on sample path simulation using Monte Carlo methods, even though these methods suffer from typical slow [Formula: see text] convergence rates as a function of the number of sample paths N. This paper investigates the combination of (randomised) quasi-Monte Carlo methods with an efficient sample path simulation procedure, namely [Formula: see text]-leaping. We show that this combination is often more effective than traditional Monte Carlo simulation in terms of the decay of statistical errors. The observed convergence rate behaviour is, however, non-trivial due to the discrete nature of the models of chemical reactions. We explain how this affects the performance of quasi-Monte Carlo methods by looking at a test problem in standard quadrature.

Heuristic approach to the development of ratings and tactics applicable to the one-on-one aerial combat (dogfight) encounter

NASA Technical Reports Server (NTRS)

Hague, D. S.

1977-01-01

Computer simulations of the one-on-one aerial combat encounter are generated under the control of specified guidance laws. Given an initial state, the vehicle and atmospheric characteristics, and the guidance laws, the aerial combat encounter is simulated by forward integration of the two vehicles' motions. The development of a combat guidance law which converts positional advantage into an improved firing opportunity is reported. A combination of lag, line of sight, and lead pursuit steering paths are followed in the guidance law. The law is based on steering error, target angle-off and the relative velocities. It readily is automated either as an onboard aid to manned aircraft pilots or as a combat guidance law for unmanned vehicles.

Heating and thermal control of brazing technique to break contamination path for potential Mars sample return

NASA Astrophysics Data System (ADS)

Bao, Xiaoqi; Badescu, Mircea; Sherrit, Stewart; Bar-Cohen, Yoseph; Campos, Sergio

2017-04-01

The potential return of Mars sample material is of great interest to the planetary science community, as it would enable extensive analysis of samples with highly sensitive laboratory instruments. It is important to make sure such a mission concept would not bring any living microbes, which may possibly exist on Mars, back to Earth's environment. In order to ensure the isolation of Mars microbes from Earth's Atmosphere, a brazing sealing and sterilizing technique was proposed to break the Mars-to-Earth contamination path. Effectively, heating the brazing zone in high vacuum space and controlling the sample temperature for integrity are key challenges to the implementation of this technique. The break-thechain procedures for container configurations, which are being considered, were simulated by multi-physics finite element models. Different heating methods including induction and resistive/radiation were evaluated. The temperature profiles of Martian samples in a proposed container structure were predicted. The results show that the sealing and sterilizing process can be controlled such that the samples temperature is maintained below the level that may cause damage, and that the brazing technique is a feasible approach to breaking the contamination path.

In-Body to On-Body Ultrawideband Propagation Model Derived From Measurements in Living Animals.

PubMed

Floor, Pål Anders; Chávez-Santiago, Raúl; Brovoll, Sverre; Aardal, Øyvind; Bergsland, Jacob; Grymyr, Ole-Johannes H N; Halvorsen, Per Steinar; Palomar, Rafael; Plettemeier, Dirk; Hamran, Svein-Erik; Ramstad, Tor A; Balasingham, Ilangko

2015-05-01

Ultrawideband (UWB) radio technology for wireless implants has gained significant attention. UWB enables the fabrication of faster and smaller transceivers with ultralow power consumption, which may be integrated into more sophisticated implantable biomedical sensors and actuators. Nevertheless, the large path loss suffered by UWB signals propagating through inhomogeneous layers of biological tissues is a major hindering factor. For the optimal design of implantable transceivers, the accurate characterization of the UWB radio propagation in living biological tissues is indispensable. Channel measurements in phantoms and numerical simulations with digital anatomical models provide good initial insight into the expected path loss in complex propagation media like the human body, but they often fail to capture the effects of blood circulation, respiration, and temperature gradients of a living subject. Therefore, we performed UWB channel measurements within 1-6 GHz on two living porcine subjects because of the anatomical resemblance with an average human torso. We present for the first time, a path loss model derived from these in vivo measurements, which includes the frequency-dependent attenuation. The use of multiple on-body receiving antennas to combat the high propagation losses in implant radio channels was also investigated.

Social Milieu Oriented Routing: A New Dimension to Enhance Network Security in WSNs.

PubMed

Liu, Lianggui; Chen, Li; Jia, Huiling

2016-02-19

In large-scale wireless sensor networks (WSNs), in order to enhance network security, it is crucial for a trustor node to perform social milieu oriented routing to a target a trustee node to carry out trust evaluation. This challenging social milieu oriented routing with more than one end-to-end Quality of Trust (QoT) constraint has proved to be NP-complete. Heuristic algorithms with polynomial and pseudo-polynomial-time complexities are often used to deal with this challenging problem. However, existing solutions cannot guarantee the efficiency of searching; that is, they can hardly avoid obtaining partial optimal solutions during a searching process. Quantum annealing (QA) uses delocalization and tunneling to avoid falling into local minima without sacrificing execution time. This has been proven a promising way to many optimization problems in recently published literatures. In this paper, for the first time, with the help of a novel approach, that is, configuration path-integral Monte Carlo (CPIMC) simulations, a QA-based optimal social trust path (QA_OSTP) selection algorithm is applied to the extraction of the optimal social trust path in large-scale WSNs. Extensive experiments have been conducted, and the experiment results demonstrate that QA_OSTP outperforms its heuristic opponents.

Space-borne remote sensing of CO2 by IPDA lidar with heterodyne detection: random error estimation

NASA Astrophysics Data System (ADS)

Matvienko, G. G.; Sukhanov, A. Y.

2015-11-01

Possibilities of measuring the CO2 column concentration by spaceborne integrated path differential lidar (IPDA) signals in the near IR absorption bands are investigated. It is shown that coherent detection principles applied in the nearinfrared spectral region promise a high sensitivity for the measurement of the integrated dry air column mixing ratio of the CO2. The simulations indicate that for CO2 the target observational requirements (0.2%) for the relative random error can be met with telescope aperture 0.5 m, detector bandwidth 10 MHz, laser energy per impulse 0.3 mJ and averaging 7500 impulses. It should also be noted that heterodyne technique allows to significantly reduce laser power and receiver overall dimensions compared to direct detection.

Integration and Validation of a Thermal Energy Storage System for Electric Vehicle Cabin Heating

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

Wang, Mingyu; Craig, Timothy; Wolfe, Edward

It is widely recognized in the automotive industry that, in very cold climatic conditions, the driving range of an Electric Vehicle (EV) can be reduced by 50% or more. In an effort to minimize the EV range penalty, a novel thermal energy storage system has been designed to provide cabin heating in EVs and Plug-in Hybrid Electric Vehicles (PHEVs) by using an advanced phase change material (PCM). This system is known as the Electrical PCM-based Thermal Heating System (ePATHS) [1, 2]. When the EV is connected to the electric grid to charge its traction battery, the ePATHS system is alsomore » “charged” with thermal energy. The stored heat is subsequently deployed for cabin comfort heating during driving, for example during commuting to and from work.The ePATHS system, especially the PCM heat exchanger component, has gone through substantial redesign in order to meet functionality and commercialization requirements. The final system development for EV implementation has occurred on a mid-range EV and has been evaluated for its capability to extend the driving range. Both simulated driving in a climatic tunnel and actual road testing have been carried out. The ePATHS has demonstrated its ability to supply the entire cabin heating needs for a round trip commute totaling 46 minutes, including 8 hours of parking, at an ambient temperature of -10°C.« less

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

Piloting Systems Reset Path Integration Systems during Position Estimation

ERIC Educational Resources Information Center

Zhang, Lei; Mou, Weimin

2017-01-01

During locomotion, individuals can determine their positions with either idiothetic cues from movement (path integration systems) or visual landmarks (piloting systems). This project investigated how these 2 systems interact in determining humans' positions. In 2 experiments, participants studied the locations of 5 target objects and 1 single…

Path-integral invariants in abelian Chern-Simons theory

NASA Astrophysics Data System (ADS)

Guadagnini, E.; Thuillier, F.

2014-05-01

We consider the U(1) Chern-Simons gauge theory defined in a general closed oriented 3-manifold M; the functional integration is used to compute the normalized partition function and the expectation values of the link holonomies. The non-perturbative path-integral is defined in the space of the gauge orbits of the connections which belong to the various inequivalent U(1) principal bundles over M; the different sectors of configuration space are labelled by the elements of the first homology group of M and are characterized by appropriate background connections. The gauge orbits of flat connections, whose classification is also based on the homology group, control the non-perturbative contributions to the mean values. The functional integration is carried out in any 3-manifold M, and the corresponding path-integral invariants turn out to be strictly related with the abelian Reshetikhin-Turaev surgery invariants.

Robotically facilitated virtual rehabilitation of arm transport integrated with finger movement in persons with hemiparesis.

PubMed

Merians, Alma S; Fluet, Gerard G; Qiu, Qinyin; Saleh, Soha; Lafond, Ian; Davidow, Amy; Adamovich, Sergei V

2011-05-16

Recovery of upper extremity function is particularly recalcitrant to successful rehabilitation. Robotic-assisted arm training devices integrated with virtual targets or complex virtual reality gaming simulations are being developed to deal with this problem. Neural control mechanisms indicate that reaching and hand-object manipulation are interdependent, suggesting that training on tasks requiring coordinated effort of both the upper arm and hand may be a more effective method for improving recovery of real world function. However, most robotic therapies have focused on training the proximal, rather than distal effectors of the upper extremity. This paper describes the effects of robotically-assisted, integrated upper extremity training. Twelve subjects post-stroke were trained for eight days on four upper extremity gaming simulations using adaptive robots during 2-3 hour sessions. The subjects demonstrated improved proximal stability, smoothness and efficiency of the movement path. This was in concert with improvement in the distal kinematic measures of finger individuation and improved speed. Importantly, these changes were accompanied by a robust 16-second decrease in overall time in the Wolf Motor Function Test and a 24-second decrease in the Jebsen Test of Hand Function. Complex gaming simulations interfaced with adaptive robots requiring integrated control of shoulder, elbow, forearm, wrist and finger movements appear to have a substantial effect on improving hemiparetic hand function. We believe that the magnitude of the changes and the stability of the patient's function prior to training, along with maintenance of several aspects of the gains demonstrated at retention make a compelling argument for this approach to training.

Robotically facilitated virtual rehabilitation of arm transport integrated with finger movement in persons with hemiparesis

PubMed Central

2011-01-01

Background Recovery of upper extremity function is particularly recalcitrant to successful rehabilitation. Robotic-assisted arm training devices integrated with virtual targets or complex virtual reality gaming simulations are being developed to deal with this problem. Neural control mechanisms indicate that reaching and hand-object manipulation are interdependent, suggesting that training on tasks requiring coordinated effort of both the upper arm and hand may be a more effective method for improving recovery of real world function. However, most robotic therapies have focused on training the proximal, rather than distal effectors of the upper extremity. This paper describes the effects of robotically-assisted, integrated upper extremity training. Methods Twelve subjects post-stroke were trained for eight days on four upper extremity gaming simulations using adaptive robots during 2-3 hour sessions. Results The subjects demonstrated improved proximal stability, smoothness and efficiency of the movement path. This was in concert with improvement in the distal kinematic measures of finger individuation and improved speed. Importantly, these changes were accompanied by a robust 16-second decrease in overall time in the Wolf Motor Function Test and a 24-second decrease in the Jebsen Test of Hand Function. Conclusions Complex gaming simulations interfaced with adaptive robots requiring integrated control of shoulder, elbow, forearm, wrist and finger movements appear to have a substantial effect on improving hemiparetic hand function. We believe that the magnitude of the changes and the stability of the patient's function prior to training, along with maintenance of several aspects of the gains demonstrated at retention make a compelling argument for this approach to training. PMID:21575185

A new navigational mechanism mediated by ant ocelli.

PubMed

Schwarz, Sebastian; Wystrach, Antoine; Cheng, Ken

2011-12-23

Many animals rely on path integration for navigation and desert ants are the champions. On leaving the nest, ants continuously integrate their distance and direction of travel so that they always know their current distance and direction from the nest and can take a direct path to home. Distance information originates from a step-counter and directional information is based on a celestial compass. So far, it has been assumed that the directional information obtained from ocelli contribute to a single global path integrator, together with directional information from the dorsal rim area (DRA) of the compound eyes and distance information from the step-counter. Here, we show that ocelli mediate a distinct compass from that mediated by the compound eyes. After travelling a two-leg outbound route, untreated foragers headed towards the nest direction, showing that both legs of the route had been integrated. In contrast, foragers with covered compound eyes but uncovered ocelli steered in the direction opposite to the last leg of the outbound route. Our findings suggest that, unlike the DRA, ocelli cannot by themselves mediate path integration. Instead, ocelli mediate a distinct directional system, which buffers the most recent leg of a journey.

Earth Model with Laser Beam Simulating Seismic Ray Paths.

ERIC Educational Resources Information Center

Ryan, John Arthur; Handzus, Thomas Jay, Jr.

1988-01-01

Described is a simple device, that uses a laser beam to simulate P waves. It allows students to follow ray paths, reflections and refractions within the earth. Included is a set of exercises that lead students through the steps by which the presence of the outer and inner cores can be recognized. (Author/CW)

Locating Sequence on FPC Maps and Selecting a Minimal Tiling Path

PubMed Central

Engler, Friedrich W.; Hatfield, James; Nelson, William; Soderlund, Carol A.

2003-01-01

This study discusses three software tools, the first two aid in integrating sequence with an FPC physical map and the third automatically selects a minimal tiling path given genomic draft sequence and BAC end sequences. The first tool, FSD (FPC Simulated Digest), takes a sequenced clone and adds it back to the map based on a fingerprint generated by an in silico digest of the clone. This allows verification of sequenced clone positions and the integration of sequenced clones that were not originally part of the FPC map. The second tool, BSS (Blast Some Sequence), takes a query sequence and positions it on the map based on sequence associated with the clones in the map. BSS has multiple uses as follows: (1) When the query is a file of marker sequences, they can be added as electronic markers. (2) When the query is draft sequence, the results of BSS can be used to close gaps in a sequenced clone or the physical map. (3) When the query is a sequenced clone and the target is BAC end sequences, one may select the next clone for sequencing using both sequence comparison results and map location. (4) When the query is whole-genome draft sequence and the target is BAC end sequences, the results can be used to select many clones for a minimal tiling path at once. The third tool, pickMTP, automates the majority of this last usage of BSS. Results are presented using the rice FPC map, BAC end sequences, and whole-genome shotgun from Syngenta. PMID:12915486

Heads-Up Display with Virtual Precision Approach Path Indicator as Implemented in a Real-Time Piloted Lifting-Body Simulation

NASA Technical Reports Server (NTRS)

Neuhaus, Jason R.

2018-01-01

This document describes the heads-up display (HUD) used in a piloted lifting-body entry, approach and landing simulation developed for the simulator facilities of the Simulation Development and Analysis Branch (SDAB) at NASA Langley Research Center. The HUD symbology originated with the piloted simulation evaluations of the HL-20 lifting body concept conducted in 1989 at NASA Langley. The original symbology was roughly based on Shuttle HUD symbology, as interpreted by Langley researchers. This document focuses on the addition of the precision approach path indicator (PAPI) lights to the HUD overlay.

Maximum of a Fractional Brownian Motion: Analytic Results from Perturbation Theory.

PubMed

Delorme, Mathieu; Wiese, Kay Jörg

2015-11-20

Fractional Brownian motion is a non-Markovian Gaussian process X_{t}, indexed by the Hurst exponent H. It generalizes standard Brownian motion (corresponding to H=1/2). We study the probability distribution of the maximum m of the process and the time t_{max} at which the maximum is reached. They are encoded in a path integral, which we evaluate perturbatively around a Brownian, setting H=1/2+ϵ. This allows us to derive analytic results beyond the scaling exponents. Extensive numerical simulations for different values of H test these analytical predictions and show excellent agreement, even for large ϵ.

Sodium dopants in helium clusters: Structure, equilibrium and submersion kinetics

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

Calvo, F.

Alkali impurities bind to helium nanodroplets very differently depending on their size and charge state, large neutral or charged dopants being wetted by the droplet whereas small neutral impurities prefer to reside aside. Using various computational modeling tools such as quantum Monte Carlo and path-integral molecular dynamics simulations, we have revisited some aspects of the physical chemistry of helium droplets interacting with sodium impurities, including the onset of snowball formation in presence of many-body polarization forces, the transition from non-wetted to wetted behavior in larger sodium clusters, and the kinetics of submersion of small dopants after sudden ionization.

Impact of first-principles properties of deuterium-tritium on inertial confinement fusion target designsa)

NASA Astrophysics Data System (ADS)

Hu, S. X.; Goncharov, V. N.; Boehly, T. R.; McCrory, R. L.; Skupsky, S.; Collins, L. A.; Kress, J. D.; Militzer, B.

2015-05-01

A comprehensive knowledge of the properties of high-energy-density plasmas is crucial to understanding and designing low-adiabat, inertial confinement fusion (ICF) implosions through hydrodynamic simulations. Warm-dense-matter (WDM) conditions are routinely accessed by low-adiabat ICF implosions, in which strong coupling and electron degeneracy often play an important role in determining the properties of warm dense plasmas. The WDM properties of deuterium-tritium (DT) mixtures and ablator materials, such as the equation of state, thermal conductivity, opacity, and stopping power, were usually estimated by models in hydro-codes used for ICF simulations. In these models, many-body and quantum effects were only approximately taken into account in the WMD regime. Moreover, the self-consistency among these models was often missing. To examine the accuracy of these models, we have systematically calculated the static, transport, and optical properties of warm dense DT plasmas, using first-principles (FP) methods over a wide range of densities and temperatures that cover the ICF "path" to ignition. These FP methods include the path-integral Monte Carlo (PIMC) and quantum-molecular dynamics (QMD) simulations, which treat electrons with many-body quantum theory. The first-principles equation-of-state table, thermal conductivities (κQMD), and first principles opacity table of DT have been self-consistently derived from the combined PIMC and QMD calculations. They have been compared with the typical models, and their effects to ICF simulations have been separately examined in previous publications. In this paper, we focus on their combined effects to ICF implosions through hydro-simulations using these FP-based properties of DT in comparison with the usual model simulations. We found that the predictions of ICF neutron yield could change by up to a factor of ˜2.5; the lower the adiabat of DT capsules, the more variations in hydro-simulations. The FP-based properties of DT are essential for designing ICF ignition targets. Future work on first-principles studies of ICF ablator materials is also discussed.

A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

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

Oba, Yuki; Kawatsu, Tsutomu; Tachikawa, Masanori, E-mail: tachi@yokohama-cu.ac.jp

2016-08-14

The on-the-fly ab initio density functional path integral molecular dynamics (PIMD) simulations, which can account for both the nuclear quantum effect and thermal effect, were carried out to evaluate the structures and “reduced” isotropic hyperfine coupling constants (HFCCs) for muoniated and hydrogenated acetone radicals (2-muoxy-2-propyl and 2-hydoxy-2-propyl) in vacuo. The reduced HFCC value from a simple geometry optimization calculation without both the nuclear quantum effect and thermal effect is −8.18 MHz, and that by standard ab initio molecular dynamics simulation with only the thermal effect and without the nuclear quantum effect is 0.33 MHz at 300 K, where these twomore » methods cannot distinguish the difference between muoniated and hydrogenated acetone radicals. In contrast, the reduced HFCC value of the muoniated acetone radical by our PIMD simulation is 32.1 MHz, which is about 8 times larger than that for the hydrogenated radical of 3.97 MHz with the same level of calculation. We have found that the HFCC values are highly correlated with the local molecular structures; especially, the Mu—O bond length in the muoniated acetone radical is elongated due to the large nuclear quantum effect of the muon, which makes the expectation value of the HFCC larger. Although our PIMD result calculated in vacuo is about 4 times larger than the measured experimental value in aqueous solvent, the ratio of these HFCC values between muoniated and hydrogenated acetone radicals in vacuo is in reasonable agreement with the ratio of the experimental values in aqueous solvent (8.56 MHz and 0.9 MHz); the explicit presence of solvent molecules has a major effect on decreasing the reduced muon HFCC of in vacuo calculations for the quantitative reproduction.« less

Visual influence on path integration in darkness indicates a multimodal representation of large-scale space

PubMed Central

Tcheang, Lili; Bülthoff, Heinrich H.; Burgess, Neil

2011-01-01

Our ability to return to the start of a route recently performed in darkness is thought to reflect path integration of motion-related information. Here we provide evidence that motion-related interoceptive representations (proprioceptive, vestibular, and motor efference copy) combine with visual representations to form a single multimodal representation guiding navigation. We used immersive virtual reality to decouple visual input from motion-related interoception by manipulating the rotation or translation gain of the visual projection. First, participants walked an outbound path with both visual and interoceptive input, and returned to the start in darkness, demonstrating the influences of both visual and interoceptive information in a virtual reality environment. Next, participants adapted to visual rotation gains in the virtual environment, and then performed the path integration task entirely in darkness. Our findings were accurately predicted by a quantitative model in which visual and interoceptive inputs combine into a single multimodal representation guiding navigation, and are incompatible with a model of separate visual and interoceptive influences on action (in which path integration in darkness must rely solely on interoceptive representations). Overall, our findings suggest that a combined multimodal representation guides large-scale navigation, consistent with a role for visual imagery or a cognitive map. PMID:21199934

Study on the measuring distance for blood glucose infrared spectral measuring by Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Li, Xiang

2016-10-01

Blood glucose monitoring is of great importance for controlling diabetes procedure and preventing the complications. At present, the clinical blood glucose concentration measurement is invasive and could be replaced by noninvasive spectroscopy analytical techniques. Among various parameters of optical fiber probe used in spectrum measuring, the measurement distance is the key one. The Monte Carlo technique is a flexible method for simulating light propagation in tissue. The simulation is based on the random walks that photons make as they travel through tissue, which are chosen by statistically sampling the probability distributions for step size and angular deflection per scattering event. The traditional method for determine the optimal distance between transmitting fiber and detector is using Monte Carlo simulation to find out the point where most photons come out. But there is a problem. In the epidermal layer there is no artery, vein or capillary vessel. Thus, when photons propagate and interactive with tissue in epidermal layer, no information is given to the photons. A new criterion is proposed to determine the optimal distance, which is named effective path length in this paper. The path length of each photons travelling in dermis is recorded when running Monte-Carlo simulation, which is the effective path length defined above. The sum of effective path length of every photon at each point is calculated. The detector should be place on the point which has most effective path length. Then the optimal measuring distance between transmitting fiber and detector is determined.

On the Path Integral in Non-Commutative (nc) Qft

NASA Astrophysics Data System (ADS)

Dehne, Christoph

2008-09-01

As is generally known, different quantization schemes applied to field theory on NC spacetime lead to Feynman rules with different physical properties, if time does not commute with space. In particular, the Feynman rules that are derived from the path integral corresponding to the T*-product (the so-called naïve Feynman rules) violate the causal time ordering property. Within the Hamiltonian approach to quantum field theory, we show that we can (formally) modify the time ordering encoded in the above path integral. The resulting Feynman rules are identical to those obtained in the canonical approach via the Gell-Mann-Low formula (with T-ordering). They preserve thus unitarity and causal time ordering.

Tunable quantum interference in a 3D integrated circuit.

PubMed

Chaboyer, Zachary; Meany, Thomas; Helt, L G; Withford, Michael J; Steel, M J

2015-04-27

Integrated photonics promises solutions to questions of stability, complexity, and size in quantum optics. Advances in tunable and non-planar integrated platforms, such as laser-inscribed photonics, continue to bring the realisation of quantum advantages in computation and metrology ever closer, perhaps most easily seen in multi-path interferometry. Here we demonstrate control of two-photon interference in a chip-scale 3D multi-path interferometer, showing a reduced periodicity and enhanced visibility compared to single photon measurements. Observed non-classical visibilities are widely tunable, and explained well by theoretical predictions based on classical measurements. With these predictions we extract Fisher information approaching a theoretical maximum. Our results open a path to quantum enhanced phase measurements.

Path integral measure, constraints and ghosts for massive gravitons with a cosmological constant

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

Metaxas, Dimitrios

2009-12-15

For massive gravity in a de Sitter background one encounters problems of stability when the curvature is larger than the graviton mass. I analyze this situation from the path integral point of view and show that it is related to the conformal factor problem of Euclidean quantum (massless) gravity. When a constraint for massive gravity is incorporated and the proper treatment of the path integral measure is taken into account one finds that, for particular choices of the DeWitt metric on the space of metrics (in fact, the same choices as in the massless case), one obtains the opposite boundmore » on the graviton mass.« less

Note: A portable Raman analyzer for microfluidic chips based on a dichroic beam splitter for integration of imaging and signal collection light paths

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

Geng, Yijia; Xu, Shuping; Xu, Weiqing, E-mail: xuwq@jlu.edu.cn

An integrated and portable Raman analyzer featuring an inverted probe fixed on a motor-driving adjustable optical module was designed for the combination of a microfluidic system. It possesses a micro-imaging function. The inverted configuration is advantageous to locate and focus microfluidic channels. Different from commercial micro-imaging Raman spectrometers using manual switchable light path, this analyzer adopts a dichroic beam splitter for both imaging and signal collection light paths, which avoids movable parts and improves the integration and stability of optics. Combined with surface-enhanced Raman scattering technique, this portable Raman micro-analyzer is promising as a powerful tool for microfluidic analytics.

Equilibrium fractionation of H and O isotopes in water from path integral molecular dynamics

NASA Astrophysics Data System (ADS)

Pinilla, Carlos; Blanchard, Marc; Balan, Etienne; Ferlat, Guillaume; Vuilleumier, Rodolphe; Mauri, Francesco

2014-06-01

The equilibrium fractionation factor between two phases is of importance for the understanding of many planetary and environmental processes. Although thermodynamic equilibrium can be achieved between minerals at high temperature, many natural processes involve reactions between liquids or aqueous solutions and solids. For crystals, the fractionation factor α can be theoretically determined using a statistical thermodynamic approach based on the vibrational properties of the phases. These calculations are mostly performed in the harmonic approximation, using empirical or ab-initio force fields. In the case of aperiodic and dynamic systems such as liquids or solutions, similar calculations can be done using finite-size molecular clusters or snapshots obtained from molecular dynamics (MD) runs. It is however difficult to assess the effect of these approximate models on the isotopic fractionation properties. In this work we present a systematic study of the calculation of the D/H and 18O/16O equilibrium fractionation factors in water for the liquid/vapour and ice/vapour phases using several levels of theory within the simulations. Namely, we use a thermodynamic integration approach based on Path Integral MD calculations (PIMD) and an empirical potential model of water. Compared with standard MD, PIMD takes into account quantum effects in the thermodynamic modeling of systems and the exact fractionation factor for a given potential can be obtained. We compare these exact results with those of modeling strategies usually used, which involve the mapping of the quantum system on its harmonic counterpart. The results show the importance of including configurational disorder for the estimation of isotope fractionation in liquid phases. In addition, the convergence of the fractionation factor as a function of parameters such as the size of the simulated system and multiple isotope substitution is analyzed, showing that isotope fractionation is essentially a local effect in the investigated system.

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.

A Note on the Stochastic Nature of Feynman Quantum Paths

NASA Astrophysics Data System (ADS)

Botelho, Luiz C. L.

2016-11-01

We propose a Fresnel stochastic white noise framework to analyze the stochastic nature of the Feynman paths entering on the Feynman Path Integral expression for the Feynman Propagator of a particle quantum mechanically moving under a time-independent potential.

Simulation in production of open rotor propellers: from optimal surface geometry to automated control of mechanical treatment

NASA Astrophysics Data System (ADS)

Grinyok, A.; Boychuk, I.; Perelygin, D.; Dantsevich, I.

2018-03-01

A complex method of the simulation and production design of open rotor propellers was studied. An end-to-end diagram was proposed for the evaluating, designing and experimental testing the optimal geometry of the propeller surface, for the machine control path generation as well as for simulating the cutting zone force condition and its relationship with the treatment accuracy which was defined by the propeller elastic deformation. The simulation data provided the realization of the combined automated path control of the cutting tool.

Simulation of path delay multiplexing-based Fourier transform spectrometer for fiber Bragg grating interrogation.

PubMed

Chelliah, Pandian; Sahoo, Trilochan; Singh, Sheela; Sujatha, Annie

2015-10-20

A Fourier transform spectrometer (FTS) used for interrogating a fiber Bragg grating (FBG) consists of a scanning-type interferometer. The FTS has a broad wavelength range of operation and good multiplexing capability. However, it has poor wavelength resolution and interrogation speed. We propose a modification to the FTS using path delay multiplexing to improve the same. Using this method, spatial resolution and interrogation time can be improved by n times by using n path delays. In this paper, simulation results for n=2, 5 are shown.

PLANE-INTEGRATED OPEN-PATH FOURIER TRANSFORM INFRARED SPECTROMETRY METHODOLOGY FOR ANAEROBIC SWINE LAGOON EMISSION MEASUREMENTS

EPA Science Inventory

Emissions of ammonia and methane from an anaerobic lagoon at a swine animal feeding operation were evaluated five times over a period of two years. The plane-integrated (PI) open-path Fourier transform infrared spectrometry (OP-FTIR) methodology was used to transect the plume at ...

Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas

NASA Astrophysics Data System (ADS)

Zhang, Shuai; Militzer, Burkhard; Benedict, Lorin X.; Soubiran, François; Sterne, Philip A.; Driver, Kevin P.

2018-03-01

Carbon-hydrogen plasmas and hydrocarbon materials are of broad interest to laser shock experimentalists, high energy density physicists, and astrophysicists. Accurate equations of state (EOSs) of hydrocarbons are valuable for various studies from inertial confinement fusion to planetary science. By combining path integral Monte Carlo (PIMC) results at high temperatures and density functional theory molecular dynamics results at lower temperatures, we compute the EOSs for hydrocarbons from simulations performed at 1473 separate (ρ, T)-points distributed over a range of compositions. These methods accurately treat electronic excitation effects with neither adjustable parameter nor experimental input. PIMC is also an accurate simulation method that is capable of treating many-body interaction and nuclear quantum effects at finite temperatures. These methods therefore provide a benchmark-quality EOS that surpasses that of semi-empirical and Thomas-Fermi-based methods in the warm dense matter regime. By comparing our first-principles EOS to the LEOS 5112 model for CH, we validate the specific heat assumptions in this model but suggest that the Grüneisen parameter is too large at low temperatures. Based on our first-principles EOSs, we predict the principal Hugoniot curve of polystyrene to be 2%-5% softer at maximum shock compression than that predicted by orbital-free density functional theory and SESAME 7593. By investigating the atomic structure and chemical bonding of hydrocarbons, we show a drastic decrease in the lifetime of chemical bonds in the pressure interval from 0.4 to 4 megabar. We find the assumption of linear mixing to be valid for describing the EOS and the shock Hugoniot curve of hydrocarbons in the regime of partially ionized atomic liquids. We make predictions of the shock compression of glow-discharge polymers and investigate the effects of oxygen content and C:H ratio on its Hugoniot curve. Our full suite of first-principles simulation results may be used to benchmark future theoretical investigations pertaining to hydrocarbon EOSs and should be helpful in guiding the design of future experiments on hydrocarbons in the gigabar regime.

Path integral Monte Carlo ground state approach: formalism, implementation, and applications

NASA Astrophysics Data System (ADS)

Yan, Yangqian; Blume, D.

2017-11-01

Monte Carlo techniques have played an important role in understanding strongly correlated systems across many areas of physics, covering a wide range of energy and length scales. Among the many Monte Carlo methods applicable to quantum mechanical systems, the path integral Monte Carlo approach with its variants has been employed widely. Since semi-classical or classical approaches will not be discussed in this review, path integral based approaches can for our purposes be divided into two categories: approaches applicable to quantum mechanical systems at zero temperature and approaches applicable to quantum mechanical systems at finite temperature. While these two approaches are related to each other, the underlying formulation and aspects of the algorithm differ. This paper reviews the path integral Monte Carlo ground state (PIGS) approach, which solves the time-independent Schrödinger equation. Specifically, the PIGS approach allows for the determination of expectation values with respect to eigen states of the few- or many-body Schrödinger equation provided the system Hamiltonian is known. The theoretical framework behind the PIGS algorithm, implementation details, and sample applications for fermionic systems are presented.

Tackling higher derivative ghosts with the Euclidean path integral

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

Fontanini, Michele; Department of Physics, Syracuse University, Syracuse, New York 13244; Trodden, Mark

2011-05-15

An alternative to the effective field theory approach to treat ghosts in higher derivative theories is to attempt to integrate them out via the Euclidean path integral formalism. It has been suggested that this method could provide a consistent framework within which we might tolerate the ghost degrees of freedom that plague, among other theories, the higher derivative gravity models that have been proposed to explain cosmic acceleration. We consider the extension of this idea to treating a class of terms with order six derivatives, and find that for a general term the Euclidean path integral approach works in themore » most trivial background, Minkowski. Moreover we see that even in de Sitter background, despite some difficulties, it is possible to define a probability distribution for tensorial perturbations of the metric.« less

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.

Thermal Storage System for Electric Vehicle Cabin Heating Component and System Analysis

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

LaClair, Tim J; Gao, Zhiming; Abdelaziz, Omar

Cabin heating of current electric vehicle (EV) designs is typically provided using electrical energy from the traction battery, since waste heat is not available from an engine as in the case of a conventional automobile. In very cold climatic conditions, the power required for space heating of an EV can be of a similar magnitude to that required for propulsion of the vehicle. As a result, its driving range can be reduced very significantly during the winter season, which limits consumer acceptance of EVs and results in increased battery costs to achieve a minimum range while ensuring comfort to themore » EV driver. To minimize the range penalty associated with EV cabin heating, a novel climate control system that includes thermal energy storage from an advanced phase change material (PCM) has been designed for use in EVs and plug-in hybrid electric vehicles (PHEVs). The present paper focuses on the modeling and analysis of this electrical PCM-Assisted Thermal Heating System (ePATHS) and is a companion to the paper Design and Testing of a Thermal Storage System for Electric Vehicle Cabin Heating. A detailed heat transfer model was developed to simulate the PCM heat exchanger that is at the heart of the ePATHS and was subsequently used to analyze and optimize its design. The results from this analysis were integrated into a MATLAB Simulink system model to simulate the fluid flow, pressure drop and heat transfer in all components of the ePATHS. The system model was then used to predict the performance of the climate control system in the vehicle and to evaluate control strategies needed to achieve the desired temperature control in the cabin. The analysis performed to design the ePATHS is described in detail and the system s predicted performance in a vehicle HVAC system is presented.« less

Variety Wins: Soccer-Playing Robots and Infant Walking

PubMed Central

Ossmy, Ori; Hoch, Justine E.; MacAlpine, Patrick; Hasan, Shohan; Stone, Peter; Adolph, Karen E.

2018-01-01

Although both infancy and artificial intelligence (AI) researchers are interested in developing systems that produce adaptive, functional behavior, the two disciplines rarely capitalize on their complementary expertise. Here, we used soccer-playing robots to test a central question about the development of infant walking. During natural activity, infants' locomotor paths are immensely varied. They walk along curved, multi-directional paths with frequent starts and stops. Is the variability observed in spontaneous infant walking a “feature” or a “bug?” In other words, is variability beneficial for functional walking performance? To address this question, we trained soccer-playing robots on walking paths generated by infants during free play and tested them in simulated games of “RoboCup.” In Tournament 1, we compared the functional performance of a simulated robot soccer team trained on infants' natural paths with teams trained on less varied, geometric paths—straight lines, circles, and squares. Across 1,000 head-to-head simulated soccer matches, the infant-trained team consistently beat all teams trained with less varied walking paths. In Tournament 2, we compared teams trained on different clusters of infant walking paths. The team trained with the most varied combination of path shape, step direction, number of steps, and number of starts and stops outperformed teams trained with less varied paths. This evidence indicates that variety is a crucial feature supporting functional walking performance. More generally, we propose that robotics provides a fruitful avenue for testing hypotheses about infant development; reciprocally, observations of infant behavior may inform research on artificial intelligence. PMID:29867427

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.

Fast exploration of an optimal path on the multidimensional free energy surface

PubMed Central

Chen, Changjun

2017-01-01

In a reaction, determination of an optimal path with a high reaction rate (or a low free energy barrier) is important for the study of the reaction mechanism. This is a complicated problem that involves lots of degrees of freedom. For simple models, one can build an initial path in the collective variable space by the interpolation method first and then update the whole path constantly in the optimization. However, such interpolation method could be risky in the high dimensional space for large molecules. On the path, steric clashes between neighboring atoms could cause extremely high energy barriers and thus fail the optimization. Moreover, performing simulations for all the snapshots on the path is also time-consuming. In this paper, we build and optimize the path by a growing method on the free energy surface. The method grows a path from the reactant and extends its length in the collective variable space step by step. The growing direction is determined by both the free energy gradient at the end of the path and the direction vector pointing at the product. With fewer snapshots on the path, this strategy can let the path avoid the high energy states in the growing process and save the precious simulation time at each iteration step. Applications show that the presented method is efficient enough to produce optimal paths on either the two-dimensional or the twelve-dimensional free energy surfaces of different small molecules. PMID:28542475

Results of a simulator test comparing two display concepts for piloted flight-path-angle control

NASA Technical Reports Server (NTRS)

Kelley, W. W.

1978-01-01

Results of a simulator experiment which was conducted in order to compare pilot gamma-control performance using two display formats are reported. Pilots flew a variable flight path angle tracking task in the landing configuration. Pilot and airplane performance parameters were recorded and pilot comments noted for each case.

An Ontology-Based Reasoning Framework for Querying Satellite Images for Disaster Monitoring.

PubMed

Alirezaie, Marjan; Kiselev, Andrey; Längkvist, Martin; Klügl, Franziska; Loutfi, Amy

2017-11-05

This paper presents a framework in which satellite images are classified and augmented with additional semantic information to enable queries about what can be found on the map at a particular location, but also about paths that can be taken. This is achieved by a reasoning framework based on qualitative spatial reasoning that is able to find answers to high level queries that may vary on the current situation. This framework called SemCityMap, provides the full pipeline from enriching the raw image data with rudimentary labels to the integration of a knowledge representation and reasoning methods to user interfaces for high level querying. To illustrate the utility of SemCityMap in a disaster scenario, we use an urban environment-central Stockholm-in combination with a flood simulation. We show that the system provides useful answers to high-level queries also with respect to the current flood status. Examples of such queries concern path planning for vehicles or retrieval of safe regions such as "find all regions close to schools and far from the flooded area". The particular advantage of our approach lies in the fact that ontological information and reasoning is explicitly integrated so that queries can be formulated in a natural way using concepts on appropriate level of abstraction, including additional constraints.

An Ontology-Based Reasoning Framework for Querying Satellite Images for Disaster Monitoring

PubMed Central

Alirezaie, Marjan; Klügl, Franziska; Loutfi, Amy

2017-01-01

This paper presents a framework in which satellite images are classified and augmented with additional semantic information to enable queries about what can be found on the map at a particular location, but also about paths that can be taken. This is achieved by a reasoning framework based on qualitative spatial reasoning that is able to find answers to high level queries that may vary on the current situation. This framework called SemCityMap, provides the full pipeline from enriching the raw image data with rudimentary labels to the integration of a knowledge representation and reasoning methods to user interfaces for high level querying. To illustrate the utility of SemCityMap in a disaster scenario, we use an urban environment—central Stockholm—in combination with a flood simulation. We show that the system provides useful answers to high-level queries also with respect to the current flood status. Examples of such queries concern path planning for vehicles or retrieval of safe regions such as “find all regions close to schools and far from the flooded area”. The particular advantage of our approach lies in the fact that ontological information and reasoning is explicitly integrated so that queries can be formulated in a natural way using concepts on appropriate level of abstraction, including additional constraints. PMID:29113073

Low-frequency pulse propagation over 510 km in the Philippine Sea: A comparison of observed and theoretical pulse spreading.

PubMed

Andrew, Rex K; Ganse, Andrew; White, Andrew W; Mercer, James A; Dzieciuch, Matthew A; Worcester, Peter F; Colosi, John A

2016-07-01

Observations of the spread of wander-corrected averaged pulses propagated over 510 km for 54 h in the Philippine Sea are compared to Monte Carlo predictions using a parabolic equation and path-integral predictions. Two simultaneous m-sequence signals are used, one centered at 200 Hz, the other at 300 Hz; both have a bandwidth of 50 Hz. The internal wave field is estimated at slightly less than unity Garrett-Munk strength. The observed spreads in all the early ray-like arrivals are very small, <1 ms (for pulse widths of 17 and 14 ms), which are on the order of the sampling period. Monte Carlo predictions show similar very small spreads. Pulse spread is one consequence of scattering, which is assumed to occur primarily at upper ocean depths where scattering processes are strongest and upward propagating rays refract downward. If scattering effects in early ray-like arrivals accumulate with increasing upper turning points, spread might show a similar dependence. Real and simulation results show no such dependence. Path-integral theory prediction of spread is accurate for the earliest ray-like arrivals, but appears to be increasingly biased high for later ray-like arrivals, which have more upper turning points.

Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperatures

NASA Astrophysics Data System (ADS)

Bishop, Kevin P.; Roy, Pierre-Nicholas

2018-03-01

Free energy calculations are a crucial part of understanding chemical systems but are often computationally expensive for all but the simplest of systems. Various enhanced sampling techniques have been developed to improve the efficiency of these calculations in numerical simulations. However, the majority of these approaches have been applied using classical molecular dynamics. There are many situations where nuclear quantum effects impact the system of interest and a classical description fails to capture these details. In this work, path integral molecular dynamics has been used in conjunction with umbrella sampling, and it has been observed that correct results are only obtained when the umbrella sampling potential is applied to a single path integral bead post quantization. This method has been validated against a Lennard-Jones benchmark system before being applied to the more complicated water dimer system over a broad range of temperatures. Free energy profiles are obtained, and these are utilized in the calculation of the second virial coefficient as well as the change in free energy from the separated water monomers to the dimer. Comparisons to experimental and ground state calculation values from the literature are made for the second virial coefficient at higher temperature and the dissociation energy of the dimer in the ground state.

Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperatures.

PubMed

Bishop, Kevin P; Roy, Pierre-Nicholas

2018-03-14

Free energy calculations are a crucial part of understanding chemical systems but are often computationally expensive for all but the simplest of systems. Various enhanced sampling techniques have been developed to improve the efficiency of these calculations in numerical simulations. However, the majority of these approaches have been applied using classical molecular dynamics. There are many situations where nuclear quantum effects impact the system of interest and a classical description fails to capture these details. In this work, path integral molecular dynamics has been used in conjunction with umbrella sampling, and it has been observed that correct results are only obtained when the umbrella sampling potential is applied to a single path integral bead post quantization. This method has been validated against a Lennard-Jones benchmark system before being applied to the more complicated water dimer system over a broad range of temperatures. Free energy profiles are obtained, and these are utilized in the calculation of the second virial coefficient as well as the change in free energy from the separated water monomers to the dimer. Comparisons to experimental and ground state calculation values from the literature are made for the second virial coefficient at higher temperature and the dissociation energy of the dimer in the ground state.

An Integrated Approach for Aircraft Engine Performance Estimation and Fault Diagnostics

NASA Technical Reports Server (NTRS)

imon, Donald L.; Armstrong, Jeffrey B.

2012-01-01

A Kalman filter-based approach for integrated on-line aircraft engine performance estimation and gas path fault diagnostics is presented. This technique is specifically designed for underdetermined estimation problems where there are more unknown system parameters representing deterioration and faults than available sensor measurements. A previously developed methodology is applied to optimally design a Kalman filter to estimate a vector of tuning parameters, appropriately sized to enable estimation. The estimated tuning parameters can then be transformed into a larger vector of health parameters representing system performance deterioration and fault effects. The results of this study show that basing fault isolation decisions solely on the estimated health parameter vector does not provide ideal results. Furthermore, expanding the number of the health parameters to address additional gas path faults causes a decrease in the estimation accuracy of those health parameters representative of turbomachinery performance deterioration. However, improved fault isolation performance is demonstrated through direct analysis of the estimated tuning parameters produced by the Kalman filter. This was found to provide equivalent or superior accuracy compared to the conventional fault isolation approach based on the analysis of sensed engine outputs, while simplifying online implementation requirements. Results from the application of these techniques to an aircraft engine simulation are presented and discussed.

Analytical Assessment of Simultaneous Parallel Approach Feasibility from Total System Error

NASA Technical Reports Server (NTRS)

Madden, Michael M.

2014-01-01

In a simultaneous paired approach to closely-spaced parallel runways, a pair of aircraft flies in close proximity on parallel approach paths. The aircraft pair must maintain a longitudinal separation within a range that avoids wake encounters and, if one of the aircraft blunders, avoids collision. Wake avoidance defines the rear gate of the longitudinal separation. The lead aircraft generates a wake vortex that, with the aid of crosswinds, can travel laterally onto the path of the trail aircraft. As runway separation decreases, the wake has less distance to traverse to reach the path of the trail aircraft. The total system error of each aircraft further reduces this distance. The total system error is often modeled as a probability distribution function. Therefore, Monte-Carlo simulations are a favored tool for assessing a "safe" rear-gate. However, safety for paired approaches typically requires that a catastrophic wake encounter be a rare one-in-a-billion event during normal operation. Using a Monte-Carlo simulation to assert this event rarity with confidence requires a massive number of runs. Such large runs do not lend themselves to rapid turn-around during the early stages of investigation when the goal is to eliminate the infeasible regions of the solution space and to perform trades among the independent variables in the operational concept. One can employ statistical analysis using simplified models more efficiently to narrow the solution space and identify promising trades for more in-depth investigation using Monte-Carlo simulations. These simple, analytical models not only have to address the uncertainty of the total system error but also the uncertainty in navigation sources used to alert an abort of the procedure. This paper presents a method for integrating total system error, procedure abort rates, avionics failures, and surveillance errors into a statistical analysis that identifies the likely feasible runway separations for simultaneous paired approaches.

Retrieval of an ice water path over the ocean from ISMAR and MARSS millimeter and submillimeter brightness temperatures

NASA Astrophysics Data System (ADS)

Brath, Manfred; Fox, Stuart; Eriksson, Patrick; Chawn Harlow, R.; Burgdorf, Martin; Buehler, Stefan A.

2018-02-01

A neural-network-based retrieval method to determine the snow ice water path (SIWP), liquid water path (LWP), and integrated water vapor (IWV) from millimeter and submillimeter brightness temperatures, measured by using airborne radiometers (ISMAR and MARSS), is presented. The neural networks were trained by using atmospheric profiles from the ICON numerical weather prediction (NWP) model and by radiative transfer simulations using the Atmospheric Radiative Transfer Simulator (ARTS). The basic performance of the retrieval method was analyzed in terms of offset (bias) and the median fractional error (MFE), and the benefit of using submillimeter channels was studied in comparison to pure microwave retrievals. The retrieval is offset-free for SIWP > 0.01 kg m-2, LWP > 0.1 kg m-2, and IWV > 3 kg m-2. The MFE of SIWP decreases from 100 % at SIWP = 0.01 kg m-2 to 20 % at SIWP = 1 kg m-2 and the MFE of LWP from 100 % at LWP = 0.05 kg m-2 to 30 % at LWP = 1 kg m-2. The MFE of IWV for IWV > 3 kg m-2 is 5 to 8 %. The SIWP retrieval strongly benefits from submillimeter channels, which reduce the MFE by a factor of 2, compared to pure microwave retrievals. The IWV and the LWP retrievals also benefit from submillimeter channels, albeit to a lesser degree. The retrieval was applied to ISMAR and MARSS brightness temperatures from FAAM flight B897 on 18 March 2015 of a precipitating frontal system west of the coast of Iceland. Considering the given uncertainties, the retrieval is in reasonable agreement with the SIWP, LWP, and IWV values simulated by the ICON NWP model for that flight. A comparison of the retrieved IWV with IWV from 12 dropsonde measurements shows an offset of 0.5 kg m-2 and an RMS difference of 0.8 kg m-2, showing that the retrieval of IWV is highly effective even under cloudy conditions.

Modelling rapid subsurface flow at the hillslope scale with explicit representation of preferential flow paths

NASA Astrophysics Data System (ADS)

Wienhöfer, J.; Zehe, E.

2012-04-01

Rapid lateral flow processes via preferential flow paths are widely accepted to play a key role for rainfall-runoff response in temperate humid headwater catchments. A quantitative description of these processes, however, is still a major challenge in hydrological research, not least because detailed information about the architecture of subsurface flow paths are often impossible to obtain at a natural site without disturbing the system. Our study combines physically based modelling and field observations with the objective to better understand how flow network configurations influence the hydrological response of hillslopes. The system under investigation is a forested hillslope with a small perennial spring at the study area Heumöser, a headwater catchment of the Dornbirnerach in Vorarlberg, Austria. In-situ points measurements of field-saturated hydraulic conductivity and dye staining experiments at the plot scale revealed that shrinkage cracks and biogenic macropores function as preferential flow paths in the fine-textured soils of the study area, and these preferential flow structures were active in fast subsurface transport of artificial tracers at the hillslope scale. For modelling of water and solute transport, we followed the approach of implementing preferential flow paths as spatially explicit structures of high hydraulic conductivity and low retention within the 2D process-based model CATFLOW. Many potential configurations of the flow path network were generated as realisations of a stochastic process informed by macropore characteristics derived from the plot scale observations. Together with different realisations of soil hydraulic parameters, this approach results in a Monte Carlo study. The model setups were used for short-term simulation of a sprinkling and tracer experiment, and the results were evaluated against measured discharges and tracer breakthrough curves. Although both criteria were taken for model evaluation, still several model setups produced acceptable matches to the observed behaviour. These setups were selected for long-term simulation, the results of which were compared against water level measurements at two piezometers along the hillslope and the integral discharge response of the spring to reject some non-behavioural model setups and further reduce equifinality. The results of this study indicate that process-based modelling can provide a means to distinguish preferential flow networks on the hillslope scale when complementary measurements to constrain the range of behavioural model setups are available. These models can further be employed as a virtual reality to investigate the characteristics of flow path architectures and explore effective parameterisations for larger scale applications.

IntPath--an integrated pathway gene relationship database for model organisms and important pathogens.

PubMed

Zhou, Hufeng; Jin, Jingjing; Zhang, Haojun; Yi, Bo; Wozniak, Michal; Wong, Limsoon

2012-01-01

Pathway data are important for understanding the relationship between genes, proteins and many other molecules in living organisms. Pathway gene relationships are crucial information for guidance, prediction, reference and assessment in biochemistry, computational biology, and medicine. Many well-established databases--e.g., KEGG, WikiPathways, and BioCyc--are dedicated to collecting pathway data for public access. However, the effectiveness of these databases is hindered by issues such as incompatible data formats, inconsistent molecular representations, inconsistent molecular relationship representations, inconsistent referrals to pathway names, and incomprehensive data from different databases. In this paper, we overcome these issues through extraction, normalization and integration of pathway data from several major public databases (KEGG, WikiPathways, BioCyc, etc). We build a database that not only hosts our integrated pathway gene relationship data for public access but also maintains the necessary updates in the long run. This public repository is named IntPath (Integrated Pathway gene relationship database for model organisms and important pathogens). Four organisms--S. cerevisiae, M. tuberculosis H37Rv, H. Sapiens and M. musculus--are included in this version (V2.0) of IntPath. IntPath uses the "full unification" approach to ensure no deletion and no introduced noise in this process. Therefore, IntPath contains much richer pathway-gene and pathway-gene pair relationships and much larger number of non-redundant genes and gene pairs than any of the single-source databases. The gene relationships of each gene (measured by average node degree) per pathway are significantly richer. The gene relationships in each pathway (measured by average number of gene pairs per pathway) are also considerably richer in the integrated pathways. Moderate manual curation are involved to get rid of errors and noises from source data (e.g., the gene ID errors in WikiPathways and relationship errors in KEGG). We turn complicated and incompatible xml data formats and inconsistent gene and gene relationship representations from different source databases into normalized and unified pathway-gene and pathway-gene pair relationships neatly recorded in simple tab-delimited text format and MySQL tables, which facilitates convenient automatic computation and large-scale referencing in many related studies. IntPath data can be downloaded in text format or MySQL dump. IntPath data can also be retrieved and analyzed conveniently through web service by local programs or through web interface by mouse clicks. Several useful analysis tools are also provided in IntPath. We have overcome in IntPath the issues of compatibility, consistency, and comprehensiveness that often hamper effective use of pathway databases. We have included four organisms in the current release of IntPath. Our methodology and programs described in this work can be easily applied to other organisms; and we will include more model organisms and important pathogens in future releases of IntPath. IntPath maintains regular updates and is freely available at http://compbio.ddns.comp.nus.edu.sg:8080/IntPath.

Maintaining a Cognitive Map in Darkness: The Need to Fuse Boundary Knowledge with Path Integration

PubMed Central

Cheung, Allen; Ball, David; Milford, Michael; Wyeth, Gordon; Wiles, Janet

2012-01-01

Spatial navigation requires the processing of complex, disparate and often ambiguous sensory data. The neurocomputations underpinning this vital ability remain poorly understood. Controversy remains as to whether multimodal sensory information must be combined into a unified representation, consistent with Tolman's “cognitive map”, or whether differential activation of independent navigation modules suffice to explain observed navigation behaviour. Here we demonstrate that key neural correlates of spatial navigation in darkness cannot be explained if the path integration system acted independently of boundary (landmark) information. In vivo recordings demonstrate that the rodent head direction (HD) system becomes unstable within three minutes without vision. In contrast, rodents maintain stable place fields and grid fields for over half an hour without vision. Using a simple HD error model, we show analytically that idiothetic path integration (iPI) alone cannot be used to maintain any stable place representation beyond two to three minutes. We then use a measure of place stability based on information theoretic principles to prove that featureless boundaries alone cannot be used to improve localization above chance level. Having shown that neither iPI nor boundaries alone are sufficient, we then address the question of whether their combination is sufficient and – we conjecture – necessary to maintain place stability for prolonged periods without vision. We addressed this question in simulations and robot experiments using a navigation model comprising of a particle filter and boundary map. The model replicates published experimental results on place field and grid field stability without vision, and makes testable predictions including place field splitting and grid field rescaling if the true arena geometry differs from the acquired boundary map. We discuss our findings in light of current theories of animal navigation and neuronal computation, and elaborate on their implications and significance for the design, analysis and interpretation of experiments. PMID:22916006

Procedure Enabling Simulation and In-Depth Analysis of Optical Effects in Camera-Based Time-Of Sensors

NASA Astrophysics Data System (ADS)

Baumgart, M.; Druml, N.; Consani, M.

2018-05-01

This paper presents a simulation approach for Time-of-Flight cameras to estimate sensor performance and accuracy, as well as to help understanding experimentally discovered effects. The main scope is the detailed simulation of the optical signals. We use a raytracing-based approach and use the optical path length as the master parameter for depth calculations. The procedure is described in detail with references to our implementation in Zemax OpticStudio and Python. Our simulation approach supports multiple and extended light sources and allows accounting for all effects within the geometrical optics model. Especially multi-object reflection/scattering ray-paths, translucent objects, and aberration effects (e.g. distortion caused by the ToF lens) are supported. The optical path length approach also enables the implementation of different ToF senor types and transient imaging evaluations. The main features are demonstrated on a simple 3D test scene.

Kinefold web server for RNA/DNA folding path and structure prediction including pseudoknots and knots

PubMed Central

Xayaphoummine, A.; Bucher, T.; Isambert, H.

2005-01-01

The Kinefold web server provides a web interface for stochastic folding simulations of nucleic acids on second to minute molecular time scales. Renaturation or co-transcriptional folding paths are simulated at the level of helix formation and dissociation in agreement with the seminal experimental results. Pseudoknots and topologically ‘entangled’ helices (i.e. knots) are efficiently predicted taking into account simple geometrical and topological constraints. To encourage interactivity, simulations launched as immediate jobs are automatically stopped after a few seconds and return adapted recommendations. Users can then choose to continue incomplete simulations using the batch queuing system or go back and modify suggested options in their initial query. Detailed output provide (i) a series of low free energy structures, (ii) an online animated folding path and (iii) a programmable trajectory plot focusing on a few helices of interest to each user. The service can be accessed at . PMID:15980546

Surgeon Training in Telerobotic Surgery via a Hardware-in-the-Loop Simulator

PubMed Central

Alemzadeh, Homa; Chen, Daniel; Kalbarczyk, Zbigniew; Iyer, Ravishankar K.; Kesavadas, Thenkurussi

2017-01-01

This work presents a software and hardware framework for a telerobotic surgery safety and motor skill training simulator. The aims are at providing trainees a comprehensive simulator for acquiring essential skills to perform telerobotic surgery. Existing commercial robotic surgery simulators lack features for safety training and optimal motion planning, which are critical factors in ensuring patient safety and efficiency in operation. In this work, we propose a hardware-in-the-loop simulator directly introducing these two features. The proposed simulator is built upon the Raven-II™ open source surgical robot, integrated with a physics engine and a safety hazard injection engine. Also, a Fast Marching Tree-based motion planning algorithm is used to help trainee learn the optimal instrument motion patterns. The main contributions of this work are (1) reproducing safety hazards events, related to da Vinci™ system, reported to the FDA MAUDE database, with a novel haptic feedback strategy to provide feedback to the operator when the underlying dynamics differ from the real robot's states so that the operator will be aware and can mitigate the negative impact of the safety-critical events, and (2) using motion planner to generate semioptimal path in an interactive robotic surgery training environment. PMID:29065635

Mathematical model for path selection by ants between nest and food source.

PubMed

Bodnar, Marek; Okińczyc, Natalia; Vela-Pérez, M

2017-03-01

Several models have been proposed to describe the behavior of ants when moving from nest to food sources. Most of these studies where based on numerical simulations with no mathematical justification. In this paper, we propose a mechanism for the formation of paths of minimal length between two points by a collection of individuals undergoing reinforced random walks taking into account not only the lengths of the paths but also the angles (connected to the preference of ants to move along straight lines). Our model involves reinforcement (pheromone accumulation), persistence (tendency to preferably follow straight directions in absence of any external effect) and takes into account the bifurcation angles of each edge (represented by a probability of willingness of choosing the path with the smallest angle). We describe analytically the results for 2 ants and different path lengths and numerical simulations for several ants. Copyright © 2016 Elsevier Inc. All rights reserved.

Integrated Scenario Modeling of NSTX Advanced Plasma Configurations

NASA Astrophysics Data System (ADS)

Kessel, Charles; Synakowski, Edward

2003-10-01

The Spherical Torus will provide an attractive fusion energy source if it can demonstrate the following major features: high elongation and triangularity, 100% non-inductive current with a credible path to high bootstrap fractions, non-solenoidal startup and current rampup, high beta with stabilization of RWM instabilities, and sufficiently high energy confinement. NSTX has specific experimental milestones to examine these features, and integrated scenario modeling is helping to understand how these configurations might be produced and what tools are needed to access this operating space. Simulations with the Tokamak Simulation Code (TSC), CURRAY, and JSOLVER/BALMSC/PEST2 have identified fully non-inductively sustained, high beta plasmas that rely on strong plasma shaping accomplished with a PF coil modification, off-axis current drive from Electron Bernstein Waves (EBW), flexible on-axis heating and CD from High Harmonic Fast Wave (HHFW) and Neutral Beam Injection (NBI), and density control. Ideal MHD stability shows that with wall stabilization through plasma rotation and/or RWM feedback coils, a beta of 40% is achievable, with 100% non-inductive current sustained for 4 current diffusion times. Experimental data and theory are combined to produce a best extrapolation to these regimes, which is continuously improved as the discharges approach these parameters, and theoretical/computational methods expand. Further investigations and development for integrated scenario modeling on NSTX is discussed.

[Identification of ecological corridors and its importance by integrating circuit theory].

PubMed

Song, Li Li; Qin, Ming Zhou

2016-10-01

Landscape connectivity is considered as an extraordinarily important factor affecting various ecological processes. The least cost path (LCP) on the basis of minimum cumulative resis-tance model (MCRM) may provide a more efficient approach to identify functional connectivity in heterogeneous landscapes, and is already adopted by the research of landscape functional connecti-vity assessment and ecological corridor simulation. Connectivity model on circuit theory (CMCT) replaced the edges in the graph theory with resistors, cost distance with resistance distance to measure the functional connectivity in heterogeneous landscapes. By means of Linkage Mapper tool and Circuitscape software, the simulated landscape generated from SIMMAP 2.0 software was viewed as the study object in this article, aimed at exploring how to integrate MCRM with CMCT to identify ecological corridors and relative importance of landscape factors. The results showed that two models had their individual advantages and mutual complement. MCRM could effectively identify least cost corridors among habitats. CMCT could effectively identify important landscape factor and pinch point, which had important influence on landscape connectivity. We also found that the position of pinch point was not affected by corridor width, which had obvious advantage in the research of identifying the importance of corridors. The integrated method could provide certain scientific basis for regional ecological protection planning and ecological corridor design.

Electrical crosstalk-coupling measurement and analysis for digital closed loop fibre optic gyro

NASA Astrophysics Data System (ADS)

Jin, Jing; Tian, Hai-Ting; Pan, Xiong; Song, Ning-Fang

2010-03-01

The phase modulation and the closed-loop controller can generate electrical crosstalk-coupling in digital closed-loop fibre optic gyro. Four electrical cross-coupling paths are verified by the open-loop testing approach. It is found the variation of ramp amplitude will lead to the alternation of gyro bias. The amplitude and the phase parameters of the electrical crosstalk signal are measured by lock-in amplifier, and the variation of gyro bias is confirmed to be caused by the alternation of phase according to the amplitude of the ramp. A digital closed-loop fibre optic gyro electrical crosstalk-coupling model is built by approximating the electrical cross-coupling paths as a proportion and integration segment. The results of simulation and experiment show that the modulation signal electrical crosstalk-coupling can cause the dead zone of the gyro when a small angular velocity is inputted, and it could also lead to a periodic vibration of the bias error of the gyro when a large angular velocity is inputted.

Adaptive Environmental Source Localization and Tracking with Unknown Permittivity and Path Loss Coefficients †

PubMed Central

Fidan, Barış; Umay, Ilknur

2015-01-01

Accurate signal-source and signal-reflector target localization tasks via mobile sensory units and wireless sensor networks (WSNs), including those for environmental monitoring via sensory UAVs, require precise knowledge of specific signal propagation properties of the environment, which are permittivity and path loss coefficients for the electromagnetic signal case. Thus, accurate estimation of these coefficients has significant importance for the accuracy of location estimates. In this paper, we propose a geometric cooperative technique to instantaneously estimate such coefficients, with details provided for received signal strength (RSS) and time-of-flight (TOF)-based range sensors. The proposed technique is integrated to a recursive least squares (RLS)-based adaptive localization scheme and an adaptive motion control law, to construct adaptive target localization and adaptive target tracking algorithms, respectively, that are robust to uncertainties in aforementioned environmental signal propagation coefficients. The efficiency of the proposed adaptive localization and tracking techniques are both mathematically analysed and verified via simulation experiments. PMID:26690441

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

Yang, Dr. Li; Cui, Xiaohui; Cemerlic, Alma

Ad hoc networks are very helpful in situations when no fixed network infrastructure is available, such as natural disasters and military conflicts. In such a network, all wireless nodes are equal peers simultaneously serving as both senders and routers for other nodes. Therefore, how to route packets through reliable paths becomes a fundamental problems when behaviors of certain nodes deviate from wireless ad hoc routing protocols. We proposed a novel Dirichlet reputation model based on Bayesian inference theory which evaluates reliability of each node in terms of packet delivery. Our system offers a way to predict and select a reliablemore » path through combination of first-hand observation and second-hand reputation reports. We also proposed moving window mechanism which helps to adjust ours responsiveness of our system to changes of node behaviors. We integrated the Dirichlet reputation into routing protocol of wireless ad hoc networks. Our extensive simulation indicates that our proposed reputation system can improve good throughput of the network and reduce negative impacts caused by misbehaving nodes.« less

Development of an Optical Gas Leak Sensor for Detecting Ethylene, Dimethyl Ether and Methane

PubMed Central

Tan, Qiulin; Pei, Xiangdong; Zhu, Simin; Sun, Dong; Liu, Jun; Xue, Chenyang; Liang, Ting; Zhang, Wendong; Xiong, Jijun

2013-01-01

In this paper, we present an approach to develop an optical gas leak sensor that can be used to measure ethylene, dimethyl ether, and methane. The sensor is designed based on the principles of IR absorption spectrum detection, and comprises two crossed elliptical surfaces with a folded reflection-type optical path. We first analyze the optical path and the use of this structure to design a miniature gas sensor. The proposed sensor includes two detectors (one to acquire the reference signal and the other for the response signal), the light source, and the filter, all of which are integrated in a miniature gold-plated chamber. We also designed a signal detection device to extract the sensor signal and a microprocessor to calculate and control the entire process. The produced sensor prototype had an accuracy of ±0.05%. Experiments which simulate the transportation of hazardous chemicals demonstrated that the developed sensor exhibited a good dynamic response and adequately met technical requirements. PMID:23539025

Green function of the double-fractional Fokker-Planck equation: path integral and stochastic differential equations.

PubMed

Kleinert, H; Zatloukal, V

2013-11-01

The statistics of rare events, the so-called black-swan events, is governed by non-Gaussian distributions with heavy power-like tails. We calculate the Green functions of the associated Fokker-Planck equations and solve the related stochastic differential equations. We also discuss the subject in the framework of path integration.

Low-coherence interferometric sensor system utilizing an integrated optics configuration

NASA Astrophysics Data System (ADS)

Plissi, M. V.; Rogers, A. J.; Brassington, D. J.; Wilson, M. G. F.

1995-08-01

The implementation of a twin Mach-Zehnder reference interferometer in an integrated optics substrate is described. From measurements of the fringe visibilities, an identification of the fringe order is attempted as a way to provide an absolute sensor for any parameter capable of modifying the difference in path length between two interfering optical paths.

Explaining Technology Integration in K-12 Classrooms: A Multilevel Path Analysis Model

ERIC Educational Resources Information Center

Liu, Feng; Ritzhaupt, Albert D.; Dawson, Kara; Barron, Ann E.

2017-01-01

The purpose of this research was to design and test a model of classroom technology integration in the context of K-12 schools. The proposed multilevel path analysis model includes teacher, contextual, and school related variables on a teacher's use of technology and confidence and comfort using technology as mediators of classroom technology…

Path integral learning of multidimensional movement trajectories

NASA Astrophysics Data System (ADS)

André, João; Santos, Cristina; Costa, Lino

2013-10-01

This paper explores the use of Path Integral Methods, particularly several variants of the recent Path Integral Policy Improvement (PI2) algorithm in multidimensional movement parametrized policy learning. We rely on Dynamic Movement Primitives (DMPs) to codify discrete and rhythmic trajectories, and apply the PI2-CMA and PIBB methods in the learning of optimal policy parameters, according to different cost functions that inherently encode movement objectives. Additionally we merge both of these variants and propose the PIBB-CMA algorithm, comparing all of them with the vanilla version of PI2. From the obtained results we conclude that PIBB-CMA surpasses all other methods in terms of convergence speed and iterative final cost, which leads to an increased interest in its application to more complex robotic problems.

Spin Path Integrals and Generations

NASA Astrophysics Data System (ADS)

Brannen, Carl

2010-11-01

The spin of a free electron is stable but its position is not. Recent quantum information research by G. Svetlichny, J. Tolar, and G. Chadzitaskos have shown that the Feynman position path integral can be mathematically defined as a product of incompatible states; that is, as a product of mutually unbiased bases (MUBs). Since the more common use of MUBs is in finite dimensional Hilbert spaces, this raises the question “what happens when spin path integrals are computed over products of MUBs?” Such an assumption makes spin no longer stable. We show that the usual spin-1/2 is obtained in the long-time limit in three orthogonal solutions that we associate with the three elementary particle generations. We give applications to the masses of the elementary leptons.

Proactive and Reactive Transmission Power Control for Energy-Efficient On-Body Communications

PubMed Central

Vallejo, Mónica; Recas, Joaquín.; Ayala, José L.

2015-01-01

In wireless body sensor network (WBSNs), the human body has an important effect on the performance of the communication due to the temporal variations caused and the attenuation and fluctuation of the path loss. This fact suggests that the transmission power must adapt to the current state of the link in a way that it ensures a balance between energy consumption and packet loss. In this paper, we validate our two transmission power level policies (reactive and predictive approaches) using the Castalia simulator. The integration of our experimental measurements in the simulator allows us to easily evaluate complex scenarios, avoiding the difficulties associated with a practical realization. Our results show that both schemes perform satisfactorily, providing overall energy savings of 24% and 22% for a case of study, as compared to the maximum transmission power mode. PMID:25769049

Variable-spot ion beam figuring

NASA Astrophysics Data System (ADS)

Wu, Lixiang; Qiu, Keqiang; Fu, Shaojun

2016-03-01

This paper introduces a new scheme of ion beam figuring (IBF), or rather variable-spot IBF, which is conducted at a constant scanning velocity with variable-spot ion beam collimated by a variable diaphragm. It aims at improving the reachability and adaptation of the figuring process within the limits of machine dynamics by varying the ion beam spot size instead of the scanning velocity. In contrast to the dwell time algorithm in the conventional IBF, the variable-spot IBF adopts a new algorithm, which consists of the scan path programming and the trajectory optimization using pattern search. In this algorithm, instead of the dwell time, a new concept, integral etching time, is proposed to interpret the process of variable-spot IBF. We conducted simulations to verify its feasibility and practicality. The simulation results indicate the variable-spot IBF is a promising alternative to the conventional approach.

Phase dynamics of single long Josephson junction in MgB2 superconductor

NASA Astrophysics Data System (ADS)

Chimouriya, Shanker Pd.; Ghimire, Bal Ram; Kim, Ju H.

2018-05-01

A system of perturbed sine Gordon equations is derived to a superconductor-insulator-superconductor (SIS) long Joseph-son junction as an extension of the Ambegaokar-Baratoff relation, following the long route of path integral formalism. A computer simulation is performed by discretizing the equations using finite difference approximation and applied to the MgB2 superconductor with SiO2 as the junction material. The solution of unperturbed sG equation is taken as the initial profile for the simulation and observed how the perturbation terms play the role to modify it. It is found initial profile deformed as time goes on. The variation of total Josephson current has also been observed. It is found that, the perturbation terms play the role for phase frustration. The phase frustration achieves quicker for high tunneling current.

Clarifying the Dynamics of the General Circulation: Phillips's 1956 Experiment.

NASA Astrophysics Data System (ADS)

Lewis, John M.

1998-01-01

In the mid-1950s, amid heated debate over the physical mechanisms that controlled the known features of the atmosphere's general circulation, Norman Phillips simulated hemispheric motion on the high-speed computer at the Institute for Advanced Study. A simple energetically consistent model was integrated for a simulated time of approximately 1 month. Analysis of the model results clarified the respective roles of the synoptic-scale eddies (cyclones-anticyclones) and mean meridional circulation in the maintenance of the upper-level westerlies and the surface wind regimes. Furthermore, the modeled cyclones clearly linked surface frontogenesis with the upper-level Charney-Eady wave. In addition to discussing the model results in light of the controversy and ferment that surrounded general circulation theory in the 1940s-1950s, an effort is made to follow Phillips's scientific path to the experiment.

Airside HVAC BESTEST: HVAC Air-Distribution System Model Test Cases for ASHRAE Standard 140

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

Judkoff, Ronald; Neymark, Joel; Kennedy, Mike D.

This paper summarizes recent work to develop new airside HVAC equipment model analytical verification test cases for ANSI/ASHRAE Standard 140, Standard Method of Test for the Evaluation of Building Energy Analysis Computer Programs. The analytical verification test method allows comparison of simulation results from a wide variety of building energy simulation programs with quasi-analytical solutions, further described below. Standard 140 is widely cited for evaluating software for use with performance-path energy efficiency analysis, in conjunction with well-known energy-efficiency standards including ASHRAE Standard 90.1, the International Energy Conservation Code, and other international standards. Airside HVAC Equipment is a common area ofmore » modelling not previously explicitly tested by Standard 140. Integration of the completed test suite into Standard 140 is in progress.« less

The role of spatial memory and frames of reference in the precision of angular path integration.

PubMed

Arthur, Joeanna C; Philbeck, John W; Kleene, Nicholas J; Chichka, David

2012-09-01

Angular path integration refers to the ability to maintain an estimate of self-location after a rotational displacement by integrating internally-generated (idiothetic) self-motion signals over time. Previous work has found that non-sensory inputs, namely spatial memory, can play a powerful role in angular path integration (Arthur et al., 2007, 2009). Here we investigated the conditions under which spatial memory facilitates angular path integration. We hypothesized that the benefit of spatial memory is particularly likely in spatial updating tasks in which one's self-location estimate is referenced to external space. To test this idea, we administered passive, non-visual body rotations (ranging 40°-140°) about the yaw axis and asked participants to use verbal reports or open-loop manual pointing to indicate the magnitude of the rotation. Prior to some trials, previews of the surrounding environment were given. We found that when participants adopted an egocentric frame of reference, the previously-observed benefit of previews on within-subject response precision was not manifested, regardless of whether remembered spatial frameworks were derived from vision or spatial language. We conclude that the powerful effect of spatial memory is dependent on one's frame of reference during self-motion updating. Copyright © 2012 Elsevier B.V. All rights reserved.

Use of speckle for determining the response characteristics of Doppler imaging radars

NASA Technical Reports Server (NTRS)

Tilley, D. G.

1986-01-01

An optical model is developed for imaging optical radars such as the SAR on Seasat and the Shuttle Imaging Radar (SIR-B) by analyzing the Doppler shift of individual speckles in the image. The signal received at the spacecraft is treated in terms of a Fresnel-Kirchhoff integration over all backscattered radiation within a Huygen aperture at the earth. Account is taken of the movement of the spacecraft along the orbital path between emission and reception. The individual points are described by integration of the point source amplitude with a Green's function scattering kernel. Doppler data at each point furnishes the coordinates for visual representations. A Rayleigh-Poisson model of the surface scattering characteristics is used with Monte Carlo methods to generate simulations of Doppler radar speckle that compare well with Seasat SAR data SIR-B data.

Equalizing Si photodetectors fabricated in standard CMOS processes

NASA Astrophysics Data System (ADS)

Guerrero, E.; Aguirre, J.; Sánchez-Azqueta, C.; Royo, G.; Gimeno, C.; Celma, S.

2017-05-01

This work presents a new continuous-time equalization approach to overcome the limited bandwidth of integrated CMOS photodetectors. It is based on a split-path topology that features completely decoupled controls for boosting and gain; this capability allows a better tuning of the equalizer in comparison with other architectures based on the degenerated differential pair, which is particularly helpful to achieve a proper calibration of the system. The equalizer is intended to enhance the bandwidth of CMOS standard n-well/p-bulk differential photodiodes (DPDs), which falls below 10MHz representing a bottleneck in fully integrated optoelectronic interfaces to fulfill the low-cost requirements of modern smart sensors. The proposed equalizer has been simulated in a 65nm CMOS process and biased with a single supply voltage of 1V, where the bandwidth of the DPD has been increased up to 3 GHz.

Functional integration of vertical flight path and speed control using energy principles

NASA Technical Reports Server (NTRS)

Lambregts, A. A.

1984-01-01

A generalized automatic flight control system was developed which integrates all longitudinal flight path and speed control functions previously provided by a pitch autopilot and autothrottle. In this design, a net thrust command is computed based on total energy demand arising from both flight path and speed targets. The elevator command is computed based on the energy distribution error between flight path and speed. The engine control is configured to produce the commanded net thrust. The design incorporates control strategies and hierarchy to deal systematically and effectively with all aircraft operational requirements, control nonlinearities, and performance limits. Consistent decoupled maneuver control is achieved for all modes and flight conditions without outer loop gain schedules, control law submodes, or control function duplication.

Cortical Hubs Form a Module for Multisensory Integration on Top of the Hierarchy of Cortical Networks

PubMed Central

Zamora-López, Gorka; Zhou, Changsong; Kurths, Jürgen

2009-01-01

Sensory stimuli entering the nervous system follow particular paths of processing, typically separated (segregated) from the paths of other modal information. However, sensory perception, awareness and cognition emerge from the combination of information (integration). The corticocortical networks of cats and macaque monkeys display three prominent characteristics: (i) modular organisation (facilitating the segregation), (ii) abundant alternative processing paths and (iii) the presence of highly connected hubs. Here, we study in detail the organisation and potential function of the cortical hubs by graph analysis and information theoretical methods. We find that the cortical hubs form a spatially delocalised, but topologically central module with the capacity to integrate multisensory information in a collaborative manner. With this, we resolve the underlying anatomical substrate that supports the simultaneous capacity of the cortex to segregate and to integrate multisensory information. PMID:20428515

MULTI-POLLUTANT CONCENTRATION MEASUREMENTS AROUND A CONCENTRATED SWINE PRODUCTION FACILITY USING OPEN-PATH FTIR SPECTROMETRY

EPA Science Inventory

Open-path Fourier transform infrared (OP/FTIR) spectrometry was used to measure the concentrations of ammonia, methane, and other atmospheric gasses around an integrated industrial swine production facility in eastern North Carolina. Several single-path measurements were made ove...

Defending Tor from Network Adversaries: A Case Study of Network Path Prediction

DTIC Science & Technology

2015-01-01

independence in Tor. 5.1 Vanilla Tor All of our Tor simulations run over the week of January 19– 25, 2014. When producing and analyzing these simulations, we...selection using path simula- tion and our traceroute data, similar to how they were used in Section 5.1 to explore vanilla Tor security. As a byproduct

From conformal blocks to path integrals in the Vaidya geometry

NASA Astrophysics Data System (ADS)

Anous, Tarek; Hartman, Thomas; Rovai, Antonin; Sonner, Julian

2017-09-01

Correlators in conformal field theory are naturally organized as a sum over conformal blocks. In holographic theories, this sum must reorganize into a path integral over bulk fields and geometries. We explore how these two sums are related in the case of a point particle moving in the background of a 3d collapsing black hole. The conformal block expansion is recast as a sum over paths of the first-quantized particle moving in the bulk geometry. Off-shell worldlines of the particle correspond to subdominant contributions in the Euclidean conformal block expansion, but these same operators must be included in order to correctly reproduce complex saddles in the Lorentzian theory. During thermalization, a complex saddle dominates under certain circumstances; in this case, the CFT correlator is not given by the Virasoro identity block in any channel, but can be recovered by summing heavy operators. This effectively converts the conformal block expansion in CFT from a sum over intermediate states to a sum over channels that mimics the bulk path integral.

Flow paths in the Edwards aquifer, northern Medina and northeastern Uvalde counties, Texas, based on hydrologic identification and geochemical characterization and simulation

USGS Publications Warehouse

Clark, Allan K.; Journey, Celeste A.

2006-01-01

The U.S. Geological Survey, in cooperation with the San Antonio Water System, conducted a 4-year study during 2001– 04 to identify major ground-water flow paths in the Edwards aquifer in northern Medina and northeastern Uvalde Counties, Texas. The study involved use of geologic structure, surfacewater and ground-water data, and geochemistry to identify ground-water flow paths. Relay ramps and associated faulting in northern Medina County appear to channel ground-water flow along four distinct flow paths that move water toward the southwest. The northwestern Medina flow path is bounded on the north by the Woodard Cave fault and on the south by the Parkers Creek fault. Water moves downdip toward the southwest until the flow encounters a cross fault along Seco Creek. This barrier to flow might force part or most of the flow to the south. Departure hydrographs for two wells and discharge departure for a streamflow-gaging station provide evidence for flow in the northwestern Medina flow path. The north-central Medina flow path (northern part) is bounded by the Parkers Creek fault on the north and the Medina Lake fault on the south. The adjacent north-central Medina flow path (southern part) is bounded on the north by the Medina Lake fault and on the south by the Diversion Lake fault. The north-central Medina flow path is separated into a northern and southern part because of water-level differences. Ground water in both parts of the northcentral Medina flow path moves downgradient (and down relay ramp) from eastern Medina County toward the southwest. The north-central Medina flow path is hypothesized to turn south in the vicinity of Seco Creek as it begins to be influenced by structural features. Departure hydrographs for four wells and Medina Lake and discharge departure for a streamflow-gaging station provide evidence for flow in the north-central Medina flow path. The south-central Medina flow path is bounded on the north by the Seco Creek and Diversion Lake faults and on the south by the Haby Crossing fault. Because of bounding faults oriented northeast-southwest and adjacent flow paths directed south by other geologic structures, the south-central Medina flow path follows the configuration of the adjacent flow paths—oriented initially southwest and then south. Immediately after turning south, the south-central Medina flow path turns sharply east. Departure hydrographs for four wells and discharge departure for a streamflow-gaging station provide evidence for flow in the south-central Medina flow path. Statistical correlations between water-level departures for 11 continuously monitored wells provide additional evidence for the hypothesized flow paths. Of the 55 combinations of departure dataset pairs, the stronger correlations (those greater than .6) are all among wells in the same flow path, with one exception. Simulations of compositional differences in water chemistry along a hypothesized flow path in the Edwards aquifer and between ground-water and surface-water systems near Medina Lake were developed using the geochemical model PHREEQC. Ground-water chemistry for samples from five wells in the Edwards aquifer in the northwestern Medina flow path were used to evaluate the evolution of ground-water chemistry in the northwestern Medina flow path. Seven simulations were done for samples from pairs of these wells collected during 2001–03; three of the seven yielded plausible models. Ground-water samples from 13 wells were used to evaluate the evolution of ground-water chemistry in the north-central Medina flow path (northern and southern parts). Five of the wells in the most upgradient part of the flow path were completed in the Trinity aquifer; the remaining eight were completed in the Edwards aquifer. Nineteen simulations were done for samples from well pairs collected during 1995–2003; eight of the 19 yielded plausible models. Ground-water samples from seven wells were used to evaluate the evolution of ground-water chemistry in the south-central Medina flow path. One well was the Trinity aquifer end-member well upgradient from all flow paths, and another was a Trinity aquifer well in the most upgradient part of the flow path; all other wells were completed in the Edwards aquifer. Nine simulations were done for samples from well pairs collected during 1996–2003; seven of the nine yielded plausible models. The plausible models demonstrate that the four hypothesized flow paths can be partially supported geochemically. 

The connection between mass, environment, and slow rotation in simulated galaxies

NASA Astrophysics Data System (ADS)

Lagos, Claudia del P.; Schaye, Joop; Bahé, Yannick; Van de Sande, Jesse; Kay, Scott T.; Barnes, David; Davis, Timothy A.; Dalla Vecchia, Claudio

2018-06-01

Recent observations from integral field spectroscopy (IFS) indicate that the fraction of galaxies that are slow rotators (SRs), FSR, depends primarily on stellar mass, with no significant dependence on environment. We investigate these trends and the formation paths of SRs using the EAGLE and HYDRANGEA hydrodynamical simulations. EAGLE consists of several cosmological boxes of volumes up to (100 Mpc)^3, while HYDRANGEA consists of 24 cosmological simulations of galaxy clusters and their environment. Together they provide a statistically significant sample in the stellar mass range 10^{9.5}-10^{12.3} M_{⊙}, of 16 358 galaxies. We construct IFS-like cubes and measure stellar spin parameters, λR, and ellipticities, allowing us to classify galaxies into slow/fast rotators as in observations. The simulations display a primary dependence of FSR on stellar mass, with a weak dependence on environment. At fixed stellar mass, satellite galaxies are more likely to be SRs than centrals. FSR shows a dependence on halo mass at fixed stellar mass for central galaxies, while no such trend is seen for satellites. We find that ≈70 per cent of SRs at z = 0 have experienced at least one merger with mass ratio ≥0.1, with dry mergers being at least twice more common than wet mergers. Individual dry mergers tend to decrease λR, while wet mergers mostly increase it. However, 30 per cent of SRs at z = 0 have not experienced mergers, and those inhabit haloes with median spins twice smaller than the haloes hosting the rest of the SRs. Thus, although the formation paths of SRs can be varied, dry mergers and/or haloes with small spins dominate.

Imaging skills for transthoracic echocardiography in cardiology fellows: The value of motion metrics

PubMed Central

Montealegre-Gallegos, Mario; Mahmood, Feroze; Kim, Han; Bergman, Remco; Mitchell, John D.; Bose, Ruma; Hawthorne, Katie M.; O’Halloran, T. David; Wong, Vanessa; Hess, Philip E.; Matyal, Robina

2016-01-01

Background: Proficiency in transthoracic echocardiography (TTE) requires an integration of cognitive knowledge and psychomotor skills. Whereas cognitive knowledge can be quantified, psychomotor skills are implied after repetitive task performance. We applied motion analyses to evaluate psychomotor skill acquisition during simulator-based TTE training. Methods and Results: During the first month of their fellowship training, 16 cardiology fellows underwent a multimodal TTE training program for 4 weeks (8 sessions). The program consisted of online and live didactics as well as simulator training. Kinematic metrics (path length, time, probe accelerations) were obtained at the start and end of the course for 8 standard TTE views using a simulator. At the end of the course TTE image acquisition skills were tested on human models. After completion of the training program the trainees reported improved self-perceived comfort with TTE imaging. There was also an increase of 8.7% in post-test knowledge scores. There was a reduction in the number of probe accelerations [median decrease 49.5, 95% CI = 29-73, adjusted P < 0.01], total time [median decrease 10.6 s, 95% CI = 6.6-15.5, adjusted P < 0.01] and path length [median decrease 8.8 cm, 95% CI = 2.2-17.7, adjusted P < 0.01] from the start to the end of the course. During evaluation on human models, the trainees were able to obtain all the required TTE views without instructor assistance. Conclusion: Simulator-derived motion analyses can be used to objectively quantify acquisition of psychomotor skills during TTE training. Such an approach could be used to assess readiness for clinical practice of TTE. PMID:27052064

GPU-Based Interactive Exploration and Online Probability Maps Calculation for Visualizing Assimilated Ocean Ensembles Data

NASA Astrophysics Data System (ADS)

Hoteit, I.; Hollt, T.; Hadwiger, M.; Knio, O. M.; Gopalakrishnan, G.; Zhan, P.

2016-02-01

Ocean reanalyses and forecasts are nowadays generated by combining ensemble simulations with data assimilation techniques. Most of these techniques resample the ensemble members after each assimilation cycle. Tracking behavior over time, such as all possible paths of a particle in an ensemble vector field, becomes very difficult, as the number of combinations rises exponentially with the number of assimilation cycles. In general a single possible path is not of interest but only the probabilities that any point in space might be reached by a particle at some point in time. We present an approach using probability-weighted piecewise particle trajectories to allow for interactive probability mapping. This is achieved by binning the domain and splitting up the tracing process into the individual assimilation cycles, so that particles that fall into the same bin after a cycle can be treated as a single particle with a larger probability as input for the next cycle. As a result we loose the possibility to track individual particles, but can create probability maps for any desired seed at interactive rates. The technique is integrated in an interactive visualization system that enables the visual analysis of the particle traces side by side with other forecast variables, such as the sea surface height, and their corresponding behavior over time. By harnessing the power of modern graphics processing units (GPUs) for visualization as well as computation, our system allows the user to browse through the simulation ensembles in real-time, view specific parameter settings or simulation models and move between different spatial or temporal regions without delay. In addition our system provides advanced visualizations to highlight the uncertainty, or show the complete distribution of the simulations at user-defined positions over the complete time series of the domain.

Integrated optimization of unmanned aerial vehicle task allocation and path planning under steady wind.

PubMed

Luo, He; Liang, Zhengzheng; Zhu, Moning; Hu, Xiaoxuan; Wang, Guoqiang

2018-01-01

Wind has a significant effect on the control of fixed-wing unmanned aerial vehicles (UAVs), resulting in changes in their ground speed and direction, which has an important influence on the results of integrated optimization of UAV task allocation and path planning. The objective of this integrated optimization problem changes from minimizing flight distance to minimizing flight time. In this study, the Euclidean distance between any two targets is expanded to the Dubins path length, considering the minimum turning radius of fixed-wing UAVs. According to the vector relationship between wind speed, UAV airspeed, and UAV ground speed, a method is proposed to calculate the flight time of UAV between targets. On this basis, a variable-speed Dubins path vehicle routing problem (VS-DP-VRP) model is established with the purpose of minimizing the time required for UAVs to visit all the targets and return to the starting point. By designing a crossover operator and mutation operator, the genetic algorithm is used to solve the model, the results of which show that an effective UAV task allocation and path planning solution under steady wind can be provided.

Integrated optimization of unmanned aerial vehicle task allocation and path planning under steady wind

PubMed Central

Liang, Zhengzheng; Zhu, Moning; Hu, Xiaoxuan; Wang, Guoqiang

2018-01-01

Wind has a significant effect on the control of fixed-wing unmanned aerial vehicles (UAVs), resulting in changes in their ground speed and direction, which has an important influence on the results of integrated optimization of UAV task allocation and path planning. The objective of this integrated optimization problem changes from minimizing flight distance to minimizing flight time. In this study, the Euclidean distance between any two targets is expanded to the Dubins path length, considering the minimum turning radius of fixed-wing UAVs. According to the vector relationship between wind speed, UAV airspeed, and UAV ground speed, a method is proposed to calculate the flight time of UAV between targets. On this basis, a variable-speed Dubins path vehicle routing problem (VS-DP-VRP) model is established with the purpose of minimizing the time required for UAVs to visit all the targets and return to the starting point. By designing a crossover operator and mutation operator, the genetic algorithm is used to solve the model, the results of which show that an effective UAV task allocation and path planning solution under steady wind can be provided. PMID:29561888

Coarse-grained representation of the quasi adiabatic propagator path integral for the treatment of non-Markovian long-time bath memory

NASA Astrophysics Data System (ADS)

Richter, Martin; Fingerhut, Benjamin P.

2017-06-01

The description of non-Markovian effects imposed by low frequency bath modes poses a persistent challenge for path integral based approaches like the iterative quasi-adiabatic propagator path integral (iQUAPI) method. We present a novel approximate method, termed mask assisted coarse graining of influence coefficients (MACGIC)-iQUAPI, that offers appealing computational savings due to substantial reduction of considered path segments for propagation. The method relies on an efficient path segment merging procedure via an intermediate coarse grained representation of Feynman-Vernon influence coefficients that exploits physical properties of system decoherence. The MACGIC-iQUAPI method allows us to access the regime of biological significant long-time bath memory on the order of hundred propagation time steps while retaining convergence to iQUAPI results. Numerical performance is demonstrated for a set of benchmark problems that cover bath assisted long range electron transfer, the transition from coherent to incoherent dynamics in a prototypical molecular dimer and excitation energy transfer in a 24-state model of the Fenna-Matthews-Olson trimer complex where in all cases excellent agreement with numerically exact reference data is obtained.

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.

Quantum Dynamics in Biological Systems

NASA Astrophysics Data System (ADS)

Shim, Sangwoo

In the first part of this dissertation, recent efforts to understand quantum mechanical effects in biological systems are discussed. Especially, long-lived quantum coherences observed during the electronic energy transfer process in the Fenna-Matthews-Olson complex at physiological condition are studied extensively using theories of open quantum systems. In addition to the usual master equation based approaches, the effect of the protein structure is investigated in atomistic detail through the combined application of quantum chemistry and molecular dynamics simulations. To evaluate the thermalized reduced density matrix, a path-integral Monte Carlo method with a novel importance sampling approach is developed for excitons coupled to an arbitrary phonon bath at a finite temperature. In the second part of the thesis, simulations of molecular systems and applications to vibrational spectra are discussed. First, the quantum dynamics of a molecule is simulated by combining semiclassical initial value representation and density funcitonal theory with analytic derivatives. A computationally-tractable approximation to the sum-of-states formalism of Raman spectra is subsequently discussed.

Numerical simulation of exploding pusher targets

NASA Astrophysics Data System (ADS)

Atzeni, S.; Rosenberg, M. J.; Gatu Johnson, M.; Petrasso, R. D.

2017-10-01

Exploding pusher targets, i.e. gas-filled large aspect-ratio glass or plastic shells, driven by a strong laser-generated shock, are widely used as pulsed sources of neutrons and fast charged particles. Recent experiments on exploding pushers provided evidence for the transition from a purely fluid behavior to a kinetic one. Indeed, fluid models largely overpredict yield and temperature as the Knudsen number Kn (ratio of ion mean-free path to compressed gas radius) is comparable or larger than one. At Kn = 0.3 - 1, fluid codes reasonably estimate integral quantities as yield and neutron-averaged temperatures, but do not reproduce burn radii, burn profiles and DD/DHe3 yield ratio. This motivated a detailed simulation study of intermediate-Kn exploding pushers. We will show how simulation results depend on models for laser-interaction, electron conductivity (flux-limited local vs nonlocal), viscosity (physical vs artificial), and ion mixing. Work partially supported by Sapienza Project C26A15YTMA, Sapienza 2016 (n. 257584), and Eurofusion Project AWP17-ENR-IFE-CEA-01.

High-frequency Born synthetic seismograms based on coupled normal modes

USGS Publications Warehouse

Pollitz, F.

2011-01-01

High-frequency and full waveform synthetic seismograms on a 3-D laterally heterogeneous earth model are simulated using the theory of coupled normal modes. The set of coupled integral equations that describe the 3-D response are simplified into a set of uncoupled integral equations by using the Born approximation to calculate scattered wavefields and the pure-path approximation to modulate the phase of incident and scattered wavefields. This depends upon a decomposition of the aspherical structure into smooth and rough components. The uncoupled integral equations are discretized and solved in the frequency domain, and time domain results are obtained by inverse Fourier transform. Examples show the utility of the normal mode approach to synthesize the seismic wavefields resulting from interaction with a combination of rough and smooth structural heterogeneities. This approach is applied to an ~4 Hz shallow crustal wave propagation around the site of the San Andreas Fault Observatory at Depth (SAFOD). ?? The Author Geophysical Journal International ?? 2011 RAS.

Integration of imagery and cartographic data through a common map base

NASA Technical Reports Server (NTRS)

Clark, J.

1983-01-01

Several disparate data types are integrated by using control points as the basis for spatially registering the data to a map base. The data are reprojected to match the coordinates of the reference UTM (Universal Transverse Mercator) map projection, as expressed in lines and samples. Control point selection is the most critical aspect of integrating the Thematic Mapper Simulator MSS imagery with the cartographic data. It is noted that control points chosen from the imagery are subject to error from mislocated points, either points that did not correlate well to the reference map or minor pixel offsets because of interactive cursorring errors. Errors are also introduced in map control points when points are improperly located and digitized, leading to inaccurate latitude and longitude coordinates. Nonsystematic aircraft platform variations, such as yawl, pitch, and roll, affect the spatial fidelity of the imagery in comparison with the quadrangles. Features in adjacent flight paths do not always correspond properly owing to the systematic panorama effect and alteration of flightline direction, as well as platform variations.

Assessment of Hydrogen Sulfide Minimum Detection Limits of an Open Path Tunable Diode Laser

EPA Science Inventory

During June 2007, U.S. EPA conducted a feasibility study to determine whether the EPA OTM 10 measurement approach, also known as radial plume mapping (RPM), was feasible. A Boreal open-path tunable diode laser (OP-TDL) to collect path-integrated hydrogen sulfide measurements alon...

Creativity, Spirituality, and Transcendence: Paths to Integrity and Wisdom in the Mature Self. Publications in Creativity Research.

ERIC Educational Resources Information Center

Miller, Melvin E., Ed.; Cook-Greuter, Susanne R., Ed.

This book contains 11 papers on creativity, spirituality, and transcendence as paths to integrity and wisdom in the mature self. The book begins with the paper "Introduction--Creativity in Adulthood: Personal Maturity and Openness to Extraordinary Sources of Inspiration" (Susanne R. Cook-Greuter, Melvin E. Miller). The next four papers,…

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…

Finding the way with a noisy brain.

PubMed

Cheung, Allen; Vickerstaff, Robert

2010-11-11

Successful navigation is fundamental to the survival of nearly every animal on earth, and achieved by nervous systems of vastly different sizes and characteristics. Yet surprisingly little is known of the detailed neural circuitry from any species which can accurately represent space for navigation. Path integration is one of the oldest and most ubiquitous navigation strategies in the animal kingdom. Despite a plethora of computational models, from equational to neural network form, there is currently no consensus, even in principle, of how this important phenomenon occurs neurally. Recently, all path integration models were examined according to a novel, unifying classification system. Here we combine this theoretical framework with recent insights from directed walk theory, and develop an intuitive yet mathematically rigorous proof that only one class of neural representation of space can tolerate noise during path integration. This result suggests many existing models of path integration are not biologically plausible due to their intolerance to noise. This surprising result imposes significant computational limitations on the neurobiological spatial representation of all successfully navigating animals, irrespective of species. Indeed, noise-tolerance may be an important functional constraint on the evolution of neuroarchitectural plans in the animal kingdom.

A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributions

NASA Astrophysics Data System (ADS)

Raymond, Neil; Iouchtchenko, Dmitri; Roy, Pierre-Nicholas; Nooijen, Marcel

2018-05-01

We introduce a new path integral Monte Carlo method for investigating nonadiabatic systems in thermal equilibrium and demonstrate an approach to reducing stochastic error. We derive a general path integral expression for the partition function in a product basis of continuous nuclear and discrete electronic degrees of freedom without the use of any mapping schemes. We separate our Hamiltonian into a harmonic portion and a coupling portion; the partition function can then be calculated as the product of a Monte Carlo estimator (of the coupling contribution to the partition function) and a normalization factor (that is evaluated analytically). A Gaussian mixture model is used to evaluate the Monte Carlo estimator in a computationally efficient manner. Using two model systems, we demonstrate our approach to reduce the stochastic error associated with the Monte Carlo estimator. We show that the selection of the harmonic oscillators comprising the sampling distribution directly affects the efficiency of the method. Our results demonstrate that our path integral Monte Carlo method's deviation from exact Trotter calculations is dominated by the choice of the sampling distribution. By improving the sampling distribution, we can drastically reduce the stochastic error leading to lower computational cost.

Path integration of the time-dependent forced oscillator with a two-time quadratic action

NASA Astrophysics Data System (ADS)

Zhang, Tian Rong; Cheng, Bin Kang

1986-03-01

Using the prodistribution theory proposed by DeWitt-Morette [C. DeWitt-Morette, Commun. Math. Phys. 28, 47 (1972); C. DeWitt-Morette, A. Maheshwari, and B. Nelson, Phys. Rep. 50, 257 (1979)], the path integration of a time-dependent forced harmonic oscillator with a two-time quadratic action has been given in terms of the solutions of some integrodifferential equations. We then evaluate explicitly both the classical path and the propagator for the specific kernel introduced by Feynman in the polaron problem. Our results include the previous known results as special cases.

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.

Portable Dual-comb Spectrometer for Stable Detection of Methane Leaks over Kilometer Scale Paths at Oil and Natural Gas Production Site

NASA Astrophysics Data System (ADS)

Coburn, S.; Wright, R.; Cossel, K.; Truong, G. W.; Baumann, E.; Coddington, I.; Newbury, N.; Alden, C. B.; Ghosh, S.; Prasad, K.; Rieker, G. B.

2016-12-01

Newly proposed EPA regulations on volatile organic compound (VOC) emissions from oil and gas production facilities have been expanded to include methane, making the detection of this important trace gas a topic of growing interest to the oil and gas industry, regulators, and the scientific community in general. Reliable techniques that enable long-term monitoring of entire production facilities are needed in order to fully characterize the temporal and spatial trends of emissions from these sites. Recent advances in the development of compact and robust fiber frequency combs are enabling the use of this powerful spectroscopic tool outside of the laboratory, presenting opportunities for kilometer-scale open-path sensing of emissions at remote locations. Here we present the characterization and field deployment of a dual comb spectrometer (DCS) system with the potential to locate and size methane leaks from oil and gas production sites from long range. The DCS is a laser-based system that enables broad spectral absorption measurements (>50 nm) with high spectral resolution (<0.002 nm). Together these properties enable measurement of methane and other trace gas concentrations (e.g., H2O for deriving dry mole fractions) with high sensitivity and long-term stability from distances of 1 km or more. Field testing of this instrument has taken place at locations near Boulder, CO, demonstrating sensitivities of better than 2 ppb-km for methane. In addition, path integrated methane measurements from the DCS are coupled with an atmospheric inversion utilizing local meteorology and a high resolution fluid dynamics simulation to determine leak location and also derive a leak rate from simulated methane leaks

Prediction of Path Deviation in Robot Based Incremental Sheet Metal Forming by Means of a New Solid-Shell Finite Element Technology and a Finite Elastoplastic Model with Combined Hardening

NASA Astrophysics Data System (ADS)

Kiliclar, Yalin; Laurischkat, Roman; Vladimirov, Ivaylo N.; Reese, Stefanie

2011-08-01

The presented project deals with a robot based incremental sheet metal forming process, which is called roboforming and has been developed at the Chair of Production Systems. It is characterized by flexible shaping using a freely programmable path-synchronous movement of two industrial robots. The final shape is produced by the incremental infeed of the forming tool in depth direction and its movement along the part contour in lateral direction. However, the resulting geometries formed in roboforming deviate several millimeters from the reference geometry. This results from the compliance of the involved machine structures and the springback effects of the workpiece. The project aims to predict these deviations caused by resiliences and to carry out a compensative path planning based on this prediction. Therefore a planning tool is implemented which compensates the robots's compliance and the springback effects of the sheet metal. The forming process is simulated by means of a finite element analysis using a material model developed at the Institute of Applied Mechanics (IFAM). It is based on the multiplicative split of the deformation gradient in the context of hyperelasticity and combines nonlinear kinematic and isotropic hardening. Low-order finite elements used to simulate thin sheet structures, such as used for the experiments, have the major problem of locking, a nonphysical stiffening effect. For an efficient finite element analysis a special solid-shell finite element formulation based on reduced integration with hourglass stabilization has been developed. To circumvent different locking effects, the enhanced assumed strain (EAS) and the assumed natural strain (ANS) concepts are included in this formulation. Having such powerful tools available we obtain more accurate geometries.

Design and Testing of a Low Noise Flight Guidance Concept

NASA Technical Reports Server (NTRS)

Williams, David H.; Oseguera-Lohr, Rosa M.; Lewis, Elliot T.

2004-01-01

A flight guidance concept was developed to assist in flying continuous descent approach (CDA) procedures designed to lower the noise under the flight path of jet transport aircraft during arrival operations at an airport. The guidance consists of a trajectory prediction algorithm that was tuned to produce a high-efficiency, low noise flight profile with accompanying autopilot and flight display elements needed by the flight control system and pilot to fly the approach. A key component of the flight guidance was a real-time display of energy error relative to the predicted flight path. The guidance was integrated with the conventional Flight Management System (FMS) guidance of a modern jet transport airplane and tested in a high fidelity flight simulation. A charted arrival procedure, which allowed flying conventional arrivals, CDA arrivals with standard guidance, and CDA arrivals with the new low noise guidance, was developed to assist in the testing and evaluation of the low noise guidance concept. Results of the simulation testing showed the low noise guidance was easy to use by airline pilot test subjects and effective in achieving the desired noise reduction. Noise under the flight path was reduced by at least 2 decibels in Sound Exposure Level (SEL) at distances from about 3 nautical miles out to about 17.5 nautical miles from the runway, with a peak reduction of 8.5 decibels at about 10.5 nautical miles. Fuel consumption was also reduced by about 17% for the LNG conditions compared to baseline runs for the same flight distance. Pilot acceptance and understanding of the guidance was quite high with favorable comments and ratings received from all test subjects.

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.

Integration across Time Determines Path Deviation Discrimination for Moving Objects

PubMed Central

Whitaker, David; Levi, Dennis M.; Kennedy, Graeme J.

2008-01-01

Background Human vision is vital in determining our interaction with the outside world. In this study we characterize our ability to judge changes in the direction of motion of objects–a common task which can allow us either to intercept moving objects, or else avoid them if they pose a threat. Methodology/Principal Findings Observers were presented with objects which moved across a computer monitor on a linear path until the midline, at which point they changed their direction of motion, and observers were required to judge the direction of change. In keeping with the variety of objects we encounter in the real world, we varied characteristics of the moving stimuli such as velocity, extent of motion path and the object size. Furthermore, we compared performance for moving objects with the ability of observers to detect a deviation in a line which formed the static trace of the motion path, since it has been suggested that a form of static memory trace may form the basis for these types of judgment. The static line judgments were well described by a ‘scale invariant’ model in which any two stimuli which possess the same two-dimensional geometry (length/width) result in the same level of performance. Performance for the moving objects was entirely different. Irrespective of the path length, object size or velocity of motion, path deviation thresholds depended simply upon the duration of the motion path in seconds. Conclusions/Significance Human vision has long been known to integrate information across space in order to solve spatial tasks such as judgment of orientation or position. Here we demonstrate an intriguing mechanism which integrates direction information across time in order to optimize the judgment of path deviation for moving objects. PMID:18414653

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.

Numerically robust and efficient nonlocal electron transport in 2D DRACO simulations

NASA Astrophysics Data System (ADS)

Cao, Duc; Chenhall, Jeff; Moses, Greg; Delettrez, Jacques; Collins, Tim

2013-10-01

An improved implicit algorithm based on Schurtz, Nicolai and Busquet (SNB) algorithm for nonlocal electron transport is presented. Validation with direct drive shock timing experiments and verification with the Goncharov nonlocal model in 1D LILAC simulations demonstrate the viability of this efficient algorithm for producing 2D lagrangian radiation hydrodynamics direct drive simulations. Additionally, simulations provide strong incentive to further modify key parameters within the SNB theory, namely the ``mean free path.'' An example 2D polar drive simulation to study 2D effects of the nonlocal flux as well as mean free path modifications will also be presented. This research was supported by the University of Rochester Laboratory for Laser Energetics.

A computationally efficient Bayesian sequential simulation approach for the assimilation of vast and diverse hydrogeophysical datasets

NASA Astrophysics Data System (ADS)

Nussbaumer, Raphaël; Gloaguen, Erwan; Mariéthoz, Grégoire; Holliger, Klaus

2016-04-01

Bayesian sequential simulation (BSS) is a powerful geostatistical technique, which notably has shown significant potential for the assimilation of datasets that are diverse with regard to the spatial resolution and their relationship. However, these types of applications of BSS require a large number of realizations to adequately explore the solution space and to assess the corresponding uncertainties. Moreover, such simulations generally need to be performed on very fine grids in order to adequately exploit the technique's potential for characterizing heterogeneous environments. Correspondingly, the computational cost of BSS algorithms in their classical form is very high, which so far has limited an effective application of this method to large models and/or vast datasets. In this context, it is also important to note that the inherent assumption regarding the independence of the considered datasets is generally regarded as being too strong in the context of sequential simulation. To alleviate these problems, we have revisited the classical implementation of BSS and incorporated two key features to increase the computational efficiency. The first feature is a combined quadrant spiral - superblock search, which targets run-time savings on large grids and adds flexibility with regard to the selection of neighboring points using equal directional sampling and treating hard data and previously simulated points separately. The second feature is a constant path of simulation, which enhances the efficiency for multiple realizations. We have also modified the aggregation operator to be more flexible with regard to the assumption of independence of the considered datasets. This is achieved through log-linear pooling, which essentially allows for attributing weights to the various data components. Finally, a multi-grid simulating path was created to enforce large-scale variance and to allow for adapting parameters, such as, for example, the log-linear weights or the type of simulation path at various scales. The newly implemented search method for kriging reduces the computational cost from an exponential dependence with regard to the grid size in the original algorithm to a linear relationship, as each neighboring search becomes independent from the grid size. For the considered examples, our results show a sevenfold reduction in run time for each additional realization when a constant simulation path is used. The traditional criticism that constant path techniques introduce a bias to the simulations was explored and our findings do indeed reveal a minor reduction in the diversity of the simulations. This bias can, however, be largely eliminated by changing the path type at different scales through the use of the multi-grid approach. Finally, we show that adapting the aggregation weight at each scale considered in our multi-grid approach allows for reproducing both the variogram and histogram, and the spatial trend of the underlying data.

The Motor System: The Whole and its Parts

PubMed Central

Otten, E.

2001-01-01

Our knowledge of components of the human motor system has been growing steadily, but our understanding of its integration into a system is lagging behind. It is suggested that a combination of measurements of forces and movements of the motor system in a functionally meaningful environment in conjunction with computer simulations of the motor system may help us in understanding motor system properties. Neurotrauma can be seen as a natural deviation, with recovery as a slow path to yet another deviant state of the motor system. In that form they may be useful in explaining the close interaction between form and function of the human motor system. PMID:11530882

An adiabatic linearized path integral approach for quantum time-correlation functions II: a cumulant expansion method for improving convergence.

PubMed

Causo, Maria Serena; Ciccotti, Giovanni; Bonella, Sara; Vuilleumier, Rodolphe

2006-08-17

Linearized mixed quantum-classical simulations are a promising approach for calculating time-correlation functions. At the moment, however, they suffer from some numerical problems that may compromise their efficiency and reliability in applications to realistic condensed-phase systems. In this paper, we present a method that improves upon the convergence properties of the standard algorithm for linearized calculations by implementing a cumulant expansion of the relevant averages. The effectiveness of the new approach is tested by applying it to the challenging computation of the diffusion of an excess electron in a metal-molten salt solution.

Use of IPsec by Manned Space Missions

NASA Technical Reports Server (NTRS)

Pajevski, Michael J.

2009-01-01

NASA's Constellation Program is developing its next generation manned space systems for missions to the International Space Station (ISS) and the Moon. The Program is embarking on a path towards standards based Internet Protocol (IP) networking for space systems communication. The IP based communications will be paired with industry standard security mechanisms such as Internet Protocol Security (IPsec) to ensure the integrity of information exchanges and prevent unauthorized release of sensitive information in-transit. IPsec has been tested in simulations on the ground and on at least one Earth orbiting satellite, but the technology is still unproven in manned space mission situations and significant obstacles remain.

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

Song, Kai; Song, Linze; Shi, Qiang, E-mail: qshi@iccas.ac.cn

Based on the path integral approach, we derive a new realization of the exact non-Markovian stochastic Schrödinger equation (SSE). The main difference from the previous non-Markovian quantum state diffusion (NMQSD) method is that the complex Gaussian stochastic process used for the forward propagation of the wave function is correlated, which may be used to reduce the amplitude of the non-Markovian memory term at high temperatures. The new SSE is then written into the recently developed hierarchy of pure states scheme, in a form that is more closely related to the hierarchical equation of motion approach. Numerical simulations are then performedmore » to demonstrate the efficiency of the new method.« less

Ab initio simulation of particle momentum distributions in high-pressure water

NASA Astrophysics Data System (ADS)

Ceriotti, M.

2014-12-01

Applying pressure to water reduces the average oxygen-oxygen distance, and facilitates the delocalisation of protons along the hydrogen bond. This pressure-induced delocalisation is further enhanced by the quantum nature of hydrogen nuclei, which is very significant even well above room temperature. Here we will evaluate the quantum kinetic energy and the particle momentum distribution of hydrogen and oxygen nuclei in water at extreme pressure, using ab initio path integral molecular dynamics. We will show that (transient) dissociation of water molecules induce measurable changes in the kinetic energy hydrogen atoms, although current deep inelastic scattering experiments are probably unable to capture the heterogeneity of the sample.

Calculation of precise firing statistics in a neural network model

NASA Astrophysics Data System (ADS)

Cho, Myoung Won

2017-08-01

A precise prediction of neural firing dynamics is requisite to understand the function of and the learning process in a biological neural network which works depending on exact spike timings. Basically, the prediction of firing statistics is a delicate manybody problem because the firing probability of a neuron at a time is determined by the summation over all effects from past firing states. A neural network model with the Feynman path integral formulation is recently introduced. In this paper, we present several methods to calculate firing statistics in the model. We apply the methods to some cases and compare the theoretical predictions with simulation results.

Research on robot mobile obstacle avoidance control based on visual information

NASA Astrophysics Data System (ADS)

Jin, Jiang

2018-03-01

Robots to detect obstacles and control robots to avoid obstacles has been a key research topic of robot control. In this paper, a scheme of visual information acquisition is proposed. By judging visual information, the visual information is transformed into the information source of path processing. In accordance with the established route, in the process of encountering obstacles, the algorithm real-time adjustment trajectory to meet the purpose of intelligent control of mobile robots. Simulation results show that, through the integration of visual sensing information, the obstacle information is fully obtained, while the real-time and accuracy of the robot movement control is guaranteed.

The multi-parameter remote measurement of rainfall

NASA Technical Reports Server (NTRS)

Atlas, D.; Ulbrich, C. W.; Meneghini, R.

1982-01-01

The measurement of rainfall by remote sensors is investigated. One parameter radar rainfall measurement is limited because both reflectivity and rain rate are dependent on at least two parameters of the drop size distribution (DSD), i.e., representative raindrop size and number concentration. A generalized rain parameter diagram is developed which includes a third distribution parameter, the breadth of the DSD, to better specify rain rate and all possible remote variables. Simulations show the improvement in accuracy attainable through the use of combinations of two and three remote measurables. The spectrum of remote measurables is reviewed. These include path integrated techniques of radiometry and of microwave and optical attenuation.

A WSN-based tool for urban and industrial fire-fighting.

PubMed

De San Bernabe Clemente, Alberto; Martínez-de Dios, José Ramiro; Ollero Baturone, Aníbal

2012-11-06

This paper describes a WSN tool to increase safety in urban and industrial fire-fighting activities. Unlike most approaches, we assume that there is no preexisting WSN in the building, which involves interesting advantages but imposes some constraints. The system integrates the following functionalities: fire monitoring, firefighter monitoring and dynamic escape path guiding. It also includes a robust localization method that employs RSSI-range models dynamically trained to cope with the peculiarities of the environment. The training and application stages of the method are applied simultaneously, resulting in significant adaptability. Besides simulations and laboratory tests, a prototype of the proposed system has been validated in close-to-operational conditions.

Torsional anharmonicity in the conformational thermodynamics of flexible molecules

NASA Astrophysics Data System (ADS)

Miller, Thomas F., III; Clary, David C.

We present an algorithm for calculating the conformational thermodynamics of large, flexible molecules that combines ab initio electronic structure theory calculations with a torsional path integral Monte Carlo (TPIMC) simulation. The new algorithm overcomes the previous limitations of the TPIMC method by including the thermodynamic contributions of non-torsional vibrational modes and by affordably incorporating the ab initio calculation of conformer electronic energies, and it improves the conventional ab initio treatment of conformational thermodynamics by accounting for the anharmonicity of the torsional modes. Using previously published ab initio results and new TPIMC calculations, we apply the algorithm to the conformers of the adrenaline molecule.

Periscopic Spine Surgery

DTIC Science & Technology

2005-03-01

Guided Technologies, Boulder, CO; motion path built from three orthogonal sinusoidal paths is Optotrak , Northern Digital, Waterloo, ON) optical tracking...Hopkins University using an Optotrak to evaluate the simulated motions. The Optotrak (Northern Digital, Inc.) is an optical high- precision 3-D motion...verify the accuracy of the RMS, tests were carried out using the Optotrak , which was placed about 2 m from the simulator. For each test, two sets of data

IntPath--an integrated pathway gene relationship database for model organisms and important pathogens

PubMed Central

2012-01-01

Background Pathway data are important for understanding the relationship between genes, proteins and many other molecules in living organisms. Pathway gene relationships are crucial information for guidance, prediction, reference and assessment in biochemistry, computational biology, and medicine. Many well-established databases--e.g., KEGG, WikiPathways, and BioCyc--are dedicated to collecting pathway data for public access. However, the effectiveness of these databases is hindered by issues such as incompatible data formats, inconsistent molecular representations, inconsistent molecular relationship representations, inconsistent referrals to pathway names, and incomprehensive data from different databases. Results In this paper, we overcome these issues through extraction, normalization and integration of pathway data from several major public databases (KEGG, WikiPathways, BioCyc, etc). We build a database that not only hosts our integrated pathway gene relationship data for public access but also maintains the necessary updates in the long run. This public repository is named IntPath (Integrated Pathway gene relationship database for model organisms and important pathogens). Four organisms--S. cerevisiae, M. tuberculosis H37Rv, H. Sapiens and M. musculus--are included in this version (V2.0) of IntPath. IntPath uses the "full unification" approach to ensure no deletion and no introduced noise in this process. Therefore, IntPath contains much richer pathway-gene and pathway-gene pair relationships and much larger number of non-redundant genes and gene pairs than any of the single-source databases. The gene relationships of each gene (measured by average node degree) per pathway are significantly richer. The gene relationships in each pathway (measured by average number of gene pairs per pathway) are also considerably richer in the integrated pathways. Moderate manual curation are involved to get rid of errors and noises from source data (e.g., the gene ID errors in WikiPathways and relationship errors in KEGG). We turn complicated and incompatible xml data formats and inconsistent gene and gene relationship representations from different source databases into normalized and unified pathway-gene and pathway-gene pair relationships neatly recorded in simple tab-delimited text format and MySQL tables, which facilitates convenient automatic computation and large-scale referencing in many related studies. IntPath data can be downloaded in text format or MySQL dump. IntPath data can also be retrieved and analyzed conveniently through web service by local programs or through web interface by mouse clicks. Several useful analysis tools are also provided in IntPath. Conclusions We have overcome in IntPath the issues of compatibility, consistency, and comprehensiveness that often hamper effective use of pathway databases. We have included four organisms in the current release of IntPath. Our methodology and programs described in this work can be easily applied to other organisms; and we will include more model organisms and important pathogens in future releases of IntPath. IntPath maintains regular updates and is freely available at http://compbio.ddns.comp.nus.edu.sg:8080/IntPath. PMID:23282057

Quadcopter Path Following Control Design Using Output Feedback with Command Generator Tracker LOS Based At Square Path

NASA Astrophysics Data System (ADS)

Nugraha, A. T.; Agustinah, T.

2018-01-01

Quadcopter an unstable system, underactuated and nonlinear in quadcopter control research developments become an important focus of attention. In this study, following the path control method for position on the X and Y axis, used structure-Generator Tracker Command (CGT) is tested. Attitude control and position feedback quadcopter is compared using the optimal output. The addition of the H∞ performance optimal output feedback control is used to maintain the stability and robustness of quadcopter. Iterative numerical techniques Linear Matrix Inequality (LMI) is used to find the gain controller. The following path control problems is solved using the method of LQ regulators with output feedback. Simulations show that the control system can follow the paths that have been defined in the form of a reference signal square shape. The result of the simulation suggest that the method which used can bring the yaw angle at the expected value algorithm. Quadcopter can do automatically following path with cross track error mean X=0.5 m and Y=0.2 m.

Monte Carlo simulation for coherent backscattering with diverging illumination (Conference Presentation)

NASA Astrophysics Data System (ADS)

Wu, Wenli; Radosevich, Andrew J.; Eshein, Adam; Nguyen, The-Quyen; Backman, Vadim

2016-03-01

Diverging beam illumination is widely used in many optical techniques especially in fiber optic applications and coherence phenomenon is one of the most important properties to consider for these applications. Until now, people have used Monte Carlo simulations to study the backscattering coherence phenomenon in collimated beam illumination only. We are the first one to study the coherence phenomenon under the exact diverging beam geometry by taking into account the impossibility of the existence for the exact time-reversed path pairs of photons, which is the main contribution to the backscattering coherence pattern in collimated beam. In this work, we present a Monte Carlo simulation that considers the influence of the illumination numerical aperture. The simulation tracks the electric field for the unique paths of forward path and reverse path in time-reversed pairs of photons as well as the same path shared by them. With this approach, we can model the coherence pattern formed between the pairs by considering their phase difference at the collection plane directly. To validate this model, we use the Low-coherence Enhanced Backscattering Spectroscopy, one of the instruments looking at the coherence pattern using diverging beam illumination, as the benchmark to compare with. In the end, we show how this diverging configuration would significantly change the coherent pattern under coherent light source and incoherent light source. This Monte Carlo model we developed can be used to study the backscattering phenomenon in both coherence and non-coherence situation with both collimated beam and diverging beam setups.

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.

Thermal Simulations, Open Boundary Conditions and Switches

NASA Astrophysics Data System (ADS)

Burnier, Yannis; Florio, Adrien; Kaczmarek, Olaf; Mazur, Lukas

2018-03-01

SU(N) gauge theories on compact spaces have a non-trivial vacuum structure characterized by a countable set of topological sectors and their topological charge. In lattice simulations, every topological sector needs to be explored a number of times which reflects its weight in the path integral. Current lattice simulations are impeded by the so-called freezing of the topological charge problem. As the continuum is approached, energy barriers between topological sectors become well defined and the simulations get trapped in a given sector. A possible way out was introduced by Lüscher and Schaefer using open boundary condition in the time extent. However, this solution cannot be used for thermal simulations, where the time direction is required to be periodic. In this proceedings, we present results obtained using open boundary conditions in space, at non-zero temperature. With these conditions, the topological charge is not quantized and the topological barriers are lifted. A downside of this method are the strong finite-size effects introduced by the boundary conditions. We also present some exploratory results which show how these conditions could be used on an algorithmic level to reshuffle the system and generate periodic configurations with non-zero topological charge.

Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation

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

Kerisit, Sebastien N.; Liu, Chongxuan

2013-08-20

Molecular simulation techniques are employed to gain insights into the structural, kinetic, and thermodynamic properties of the uranyl(VI) cation (UO22+) in aqueous solution. The simulations make use of an atomistic potential model (force field) derived in this work and based on the model of Guilbaud and Wipff (Guilbaud, P.; Wipff, G. J. Mol. Struct. (THEOCHEM) 1996, 366, 55-63). Reactive flux and thermodynamic integration calculations show that the derived potential model yields predictions for the water exchange rate and free energy of hydration, respectively, that are in agreement with experimental data. The water binding energies, hydration shell structure, and self-diffusion coefficientmore » are also calculated and discussed. Finally, a combination of metadynamics and transition path sampling simulations is employed to probe the mechanisms of water exchange reactions in the first hydration shell of the uranyl ion. These atomistic simulations indicate, based on two-dimensional free energy surfaces, that water exchanges follow an associative interchange mechanism. The nature and structure of the water exchange transition states are also determined. The improved potential model is expected to lead to more accurate predictions of uranyl adsorption energies at mineral surfaces using potential-based molecular dynamics simulations.« less

Vision-Aided RAIM: A New Method for GPS Integrity Monitoring in Approach and Landing Phase

PubMed Central

Fu, Li; Zhang, Jun; Li, Rui; Cao, Xianbin; Wang, Jinling

2015-01-01

In the 1980s, Global Positioning System (GPS) receiver autonomous integrity monitoring (RAIM) was proposed to provide the integrity of a navigation system by checking the consistency of GPS measurements. However, during the approach and landing phase of a flight path, where there is often low GPS visibility conditions, the performance of the existing RAIM method may not meet the stringent aviation requirements for availability and integrity due to insufficient observations. To solve this problem, a new RAIM method, named vision-aided RAIM (VA-RAIM), is proposed for GPS integrity monitoring in the approach and landing phase. By introducing landmarks as pseudo-satellites, the VA-RAIM enriches the navigation observations to improve the performance of RAIM. In the method, a computer vision system photographs and matches these landmarks to obtain additional measurements for navigation. Nevertheless, the challenging issue is that such additional measurements may suffer from vision errors. To ensure the reliability of the vision measurements, a GPS-based calibration algorithm is presented to reduce the time-invariant part of the vision errors. Then, the calibrated vision measurements are integrated with the GPS observations for integrity monitoring. Simulation results show that the VA-RAIM outperforms the conventional RAIM with a higher level of availability and fault detection rate. PMID:26378533

Vision-Aided RAIM: A New Method for GPS Integrity Monitoring in Approach and Landing Phase.

PubMed

Fu, Li; Zhang, Jun; Li, Rui; Cao, Xianbin; Wang, Jinling

2015-09-10

In the 1980s, Global Positioning System (GPS) receiver autonomous integrity monitoring (RAIM) was proposed to provide the integrity of a navigation system by checking the consistency of GPS measurements. However, during the approach and landing phase of a flight path, where there is often low GPS visibility conditions, the performance of the existing RAIM method may not meet the stringent aviation requirements for availability and integrity due to insufficient observations. To solve this problem, a new RAIM method, named vision-aided RAIM (VA-RAIM), is proposed for GPS integrity monitoring in the approach and landing phase. By introducing landmarks as pseudo-satellites, the VA-RAIM enriches the navigation observations to improve the performance of RAIM. In the method, a computer vision system photographs and matches these landmarks to obtain additional measurements for navigation. Nevertheless, the challenging issue is that such additional measurements may suffer from vision errors. To ensure the reliability of the vision measurements, a GPS-based calibration algorithm is presented to reduce the time-invariant part of the vision errors. Then, the calibrated vision measurements are integrated with the GPS observations for integrity monitoring. Simulation results show that the VA-RAIM outperforms the conventional RAIM with a higher level of availability and fault detection rate.

A comparative study of inelastic scattering models at energy levels ranging from 0.5 keV to 10 keV

NASA Astrophysics Data System (ADS)

Hu, Chia-Yu; Lin, Chun-Hung

2017-03-01

Six models, including a single-scattering model, four hybrid models, and one dielectric function model, were evaluated using Monte Carlo simulations for aluminum and copper at incident beam energies ranging from 0.5 keV to 10 keV. The inelastic mean free path, mean energy loss per unit path length, and backscattering coefficients obtained by these models are compared and discussed to understand the merits of the various models. ANOVA (analysis of variance) statistical models were used to quantify the effects of inelastic cross section and energy loss models on the basis of the simulated results deviation from the experimental data for the inelastic mean free path, the mean energy loss per unit path length, and the backscattering coefficient, as well as their correlations. This work in this study is believed to be the first application of ANOVA models towards evaluating inelastic electron beam scattering models. This approach is an improvement over the traditional approach which involves only visual estimation of the difference between the experimental data and simulated results. The data suggests that the optimization of the effective electron number per atom, binding energy, and cut-off energy of an inelastic model for different materials at different beam energies is more important than the selection of inelastic models for Monte Carlo electron scattering simulation. During the simulations, parameters in the equations should be tuned according to different materials for different beam energies rather than merely employing default parameters for an arbitrary material. Energy loss models and cross-section formulas are not the main factors influencing energy loss. Comparison of the deviation of the simulated results from the experimental data shows a significant correlation (p < 0.05) between the backscattering coefficient and energy loss per unit path length. The inclusion of backscattering electrons generated by both primary and secondary electrons for backscattering coefficient simulation is recommended for elements with high atomic numbers. In hybrid models, introducing the inner shell ionization model improves the accuracy of simulated results.

A global solution to the Schrödinger equation: From Henstock to Feynman

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

Nathanson, Ekaterina S., E-mail: enathanson@ggc.edu; Jørgensen, Palle E. T., E-mail: palle-jorgensen@uiowa.edu

2015-09-15

One of the key elements of Feynman’s formulation of non-relativistic quantum mechanics is a so-called Feynman path integral. It plays an important role in the theory, but it appears as a postulate based on intuition, rather than a well-defined object. All previous attempts to supply Feynman’s theory with rigorous mathematics underpinning, based on the physical requirements, have not been satisfactory. The difficulty comes from the need to define a measure on the infinite dimensional space of paths and to create an integral that would possess all of the properties requested by Feynman. In the present paper, we consider a newmore » approach to defining the Feynman path integral, based on the theory developed by Muldowney [A Modern Theory of Random Variable: With Applications in Stochastic Calcolus, Financial Mathematics, and Feynman Integration (John Wiley & Sons, Inc., New Jersey, 2012)]. Muldowney uses the Henstock integration technique and deals with non-absolute integrability of the Fresnel integrals, in order to obtain a representation of the Feynman path integral as a functional. This approach offers a mathematically rigorous definition supporting Feynman’s intuitive derivations. But in his work, Muldowney gives only local in space-time solutions. A physical solution to the non-relativistic Schrödinger equation must be global, and it must be given in the form of a unitary one-parameter group in L{sup 2}(ℝ{sup n}). The purpose of this paper is to show that a system of one-dimensional local Muldowney’s solutions may be extended to yield a global solution. Moreover, the global extension can be represented by a unitary one-parameter group acting in L{sup 2}(ℝ{sup n})« less

Processor Would Find Best Paths On Map

NASA Technical Reports Server (NTRS)

Eberhardt, Silvio P.

1990-01-01

Proposed very-large-scale integrated (VLSI) circuit image-data processor finds path of least cost from specified origin to any destination on map. Cost of traversal assigned to each picture element of map. Path of least cost from originating picture element to every other picture element computed as path that preserves as much as possible of signal transmitted by originating picture element. Dedicated microprocessor at each picture element stores cost of traversal and performs its share of computations of paths of least cost. Least-cost-path problem occurs in research, military maneuvers, and in planning routes of vehicles.

Computer calculation of Witten's 3-manifold invariant

NASA Astrophysics Data System (ADS)

Freed, Daniel S.; Gompf, Robert E.

1991-10-01

Witten's 2+1 dimensional Chern-Simons theory is exactly solvable. We compute the partition function, a topological invariant of 3-manifolds, on generalized Seifert spaces. Thus we test the path integral using the theory of 3-manifolds. In particular, we compare the exact solution with the asymptotic formula predicted by perturbation theory. We conclude that this path integral works as advertised and gives an effective topological invariant.

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.

Book Review:

NASA Astrophysics Data System (ADS)

Louko, Jorma

2007-04-01

Bastianelli and van Nieuwenhuizen's monograph `Path Integrals and Anomalies in Curved Space' collects in one volume the results of the authors' 15-year research programme on anomalies that arise in Feynman diagrams of quantum field theories on curved manifolds. The programme was spurred by the path-integral techniques introduced in Alvarez-Gaumé and Witten's renowned 1983 paper on gravitational anomalies which, together with the anomaly cancellation paper by Green and Schwarz, led to the string theory explosion of the 1980s. The authors have produced a tour de force, giving a comprehensive and pedagogical exposition of material that is central to current research. The first part of the book develops from scratch a formalism for defining and evaluating quantum mechanical path integrals in nonlinear sigma models, using time slicing regularization, mode regularization and dimensional regularization. The second part applies this formalism to quantum fields of spin 0, 1/2, 1 and 3/2 and to self-dual antisymmetric tensor fields. The book concludes with a discussion of gravitational anomalies in 10-dimensional supergravities, for both classical and exceptional gauge groups. The target audience is researchers and graduate students in curved spacetime quantum field theory and string theory, and the aims, style and pedagogical level have been chosen with this audience in mind. Path integrals are treated as calculational tools, and the notation and terminology are throughout tailored to calculational convenience, rather than to mathematical rigour. The style is closer to that of an exceedingly thorough and self-contained review article than to that of a textbook. As the authors mention, the first part of the book can be used as an introduction to path integrals in quantum mechanics, although in a classroom setting perhaps more likely as supplementary reading than a primary class text. Readers outside the core audience, including this reviewer, will gain from the book a heightened appreciation of the central role of regularization as a defining ingredient of a quantum field theory and will be impressed by the agreement of results arising from different regularization schemes. The readers may in particular enjoy the authors' `brief history of anomalies' in quantum field theory, as well as a similar historical discussion of path integrals in quantum mechanics.

Turbulent Flow Simulation at the Exascale: Opportunities and Challenges Workshop: August 4-5, 2015, Washington, D.C.

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

Sprague, Michael A.; Boldyrev, Stanislav; Fischer, Paul

This report details the impact exascale will bring to turbulent-flow simulations in applied science and technology. The need for accurate simulation of turbulent flows is evident across the DOE applied-science and engineering portfolios, including combustion, plasma physics, nuclear-reactor physics, wind energy, and atmospheric science. The workshop brought together experts in turbulent-flow simulation, computational mathematics, and high-performance computing. Building upon previous ASCR workshops on exascale computing, participants defined a research agenda and path forward that will enable scientists and engineers to continually leverage, engage, and direct advances in computational systems on the path to exascale computing.

A highly accurate analytical solution for the surface fields of a short vertical wire antenna lying on a multilayer ground

NASA Astrophysics Data System (ADS)

Parise, M.

2018-01-01

A highly accurate analytical solution is derived to the electromagnetic problem of a short vertical wire antenna located on a stratified ground. The derivation consists of three steps. First, the integration path of the integrals describing the fields of the dipole is deformed and wrapped around the pole singularities and the two vertical branch cuts of the integrands located in the upper half of the complex plane. This allows to decompose the radiated field into its three contributions, namely the above-surface ground wave, the lateral wave, and the trapped surface waves. Next, the square root terms responsible for the branch cuts are extracted from the integrands of the branch-cut integrals. Finally, the extracted square roots are replaced with their rational representations according to Newton's square root algorithm, and residue theorem is applied to give explicit expressions, in series form, for the fields. The rigorous integration procedure and the convergence of square root algorithm ensure that the obtained formulas converge to the exact solution. Numerical simulations are performed to show the validity and robustness of the developed formulation, as well as its advantages in terms of time cost over standard numerical integration procedures.

A PLM-based automated inspection planning system for coordinate measuring machine

NASA Astrophysics Data System (ADS)

Zhao, Haibin; Wang, Junying; Wang, Boxiong; Wang, Jianmei; Chen, Huacheng

2006-11-01

With rapid progress of Product Lifecycle Management (PLM) in manufacturing industry, automatic generation of inspection planning of product and the integration with other activities in product lifecycle play important roles in quality control. But the techniques for these purposes are laggard comparing with techniques of CAD/CAM. Therefore, an automatic inspection planning system for Coordinate Measuring Machine (CMM) was developed to improve the automatization of measuring based on the integration of inspection system in PLM. Feature information representation is achieved based on a PLM canter database; measuring strategy is optimized through the integration of multi-sensors; reasonable number and distribution of inspection points are calculated and designed with the guidance of statistic theory and a synthesis distribution algorithm; a collision avoidance method is proposed to generate non-collision inspection path with high efficiency. Information mapping is performed between Neutral Interchange Files (NIFs), such as STEP, DML, DMIS, XML, etc., to realize information integration with other activities in the product lifecycle like design, manufacturing and inspection execution, etc. Simulation was carried out to demonstrate the feasibility of the proposed system. As a result, the inspection process is becoming simpler and good result can be got based on the integration in PLM.

Acetylcholine contributes to the integration of self-movement cues in head direction cells.

PubMed

Yoder, Ryan M; Chan, Jeremy H M; Taube, Jeffrey S

2017-08-01

Acetylcholine contributes to accurate performance on some navigational tasks, but details of its contribution to the underlying brain signals are not fully understood. The medial septal area provides widespread cholinergic input to various brain regions, but selective damage to medial septal cholinergic neurons generally has little effect on landmark-based navigation, or the underlying neural representations of location and directional heading in visual environments. In contrast, the loss of medial septal cholinergic neurons disrupts navigation based on path integration, but no studies have tested whether these path integration deficits are associated with disrupted head direction (HD) cell activity. Therefore, we evaluated HD cell responses to visual cue rotations in a familiar arena, and during navigation between familiar and novel arenas, after muscarinic receptor blockade with systemic atropine. Atropine treatment reduced the peak firing rate of HD cells, but failed to significantly affect other HD cell firing properties. Atropine also failed to significantly disrupt the dominant landmark control of the HD signal, even though we used a procedure that challenged this landmark control. In contrast, atropine disrupted HD cell stability during navigation between familiar and novel arenas, where path integration normally maintains a consistent HD cell signal across arenas. These results suggest that acetylcholine contributes to path integration, in part, by facilitating the use of idiothetic cues to maintain a consistent representation of directional heading. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Trade-offs between maintenance of ecosystem services and socio-economic development in rural mountainous communities in southern Spain: a dynamic simulation approach.

PubMed

Vidal-Legaz, Beatriz; Martínez-Fernández, Julia; Picón, Andrés Sánchez; Pugnaire, Francisco I

2013-12-15

Mountainous rural communities have traditionally managed their land extensively, resulting in land uses that provide important ecosystem services for both rural and urban areas. Over recent decades, these communities have undergone drastic changes in economic structure, population size and land use. Our understanding of the exact mechanisms that drive these changes is limited, and there is also a lack of integrative approaches to enable decision makers to steer rural development towards a more sustainable path. In this study, we build a dynamic simulation model to calculate the trade-offs between the provisions of two ecosystem services - landscape aesthetic value and water supply for human use - and the economic development associated with different land use changes. The study area for the simulation comprises two rural communities located in southern Spain. Our results show trade-offs between economic development and the provision of the selected ecosystem services in the selected study area. Land use intensification results in economic development but is not enough to prevent population loss and has a negative impact on both the water supply and on aesthetic services. We conclude that more proactive management policies are needed to mitigate a loss in ecosystem services. Simulation models like ours may facilitate the choice of these policies, as they could test the result of land use planning policies contributing therefore, to a more integrative and sustainable management of rural communities. Copyright © 2013 Elsevier Ltd. All rights reserved.

A new method for photon transport in Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Sato, T.; Ogawa, K.

1999-12-01

Monte Carlo methods are used to evaluate data methods such as scatter and attenuation compensation in single photon emission CT (SPECT), treatment planning in radiation therapy, and in many industrial applications. In Monte Carlo simulation, photon transport requires calculating the distance from the location of the emitted photon to the nearest boundary of each uniform attenuating medium along its path of travel, and comparing this distance with the length of its path generated at emission. Here, the authors propose a new method that omits the calculation of the location of the exit point of the photon from each voxel and of the distance between the exit point and the original position. The method only checks the medium of each voxel along the photon's path. If the medium differs from that in the voxel from which the photon was emitted, the authors calculate the location of the entry point in the voxel, and the length of the path is compared with the mean free path length generated by a random number. Simulations using the MCAT phantom show that the ratios of the calculation time were 1.0 for the voxel-based method, and 0.51 for the proposed method with a 256/spl times/256/spl times/256 matrix image, thereby confirming the effectiveness of the algorithm.

Path Integrals for Electronic Densities, Reactivity Indices, and Localization Functions in Quantum Systems

PubMed Central

Putz, Mihai V.

2009-01-01

The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr’s quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions – all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems. PMID:20087467

Path integrals for electronic densities, reactivity indices, and localization functions in quantum systems.

PubMed

Putz, Mihai V

2009-11-10

The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr's quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions - all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems.

A retrieval algorithm of hydrometer profile for submillimeter-wave radiometer

NASA Astrophysics Data System (ADS)

Liu, Yuli; Buehler, Stefan; Liu, Heguang

2017-04-01

Vertical profiles of particle microphysics perform vital functions for the estimation of climatic feedback. This paper proposes a new algorithm to retrieve the profile of the parameters of the hydrometeor(i.e., ice, snow, rain, liquid cloud, graupel) based on passive submillimeter-wave measurements. These parameters include water content and particle size. The first part of the algorithm builds the database and retrieves the integrated quantities. Database is built up by Atmospheric Radiative Transfer Simulator(ARTS), which uses atmosphere data to simulate the corresponding brightness temperature. Neural network, trained by the precalculated database, is developed to retrieve the water path for each type of particles. The second part of the algorithm analyses the statistical relationship between water path and vertical parameters profiles. Based on the strong dependence existing between vertical layers in the profiles, Principal Component Analysis(PCA) technique is applied. The third part of the algorithm uses the forward model explicitly to retrieve the hydrometeor profiles. Cost function is calculated in each iteration, and Differential Evolution(DE) algorithm is used to adjust the parameter values during the evolutionary process. The performance of this algorithm is planning to be verified for both simulation database and measurement data, by retrieving profiles in comparison with the initial one. Results show that this algorithm has the ability to retrieve the hydrometeor profiles efficiently. The combination of ARTS and optimization algorithm can get much better results than the commonly used database approach. Meanwhile, the concept that ARTS can be used explicitly in the retrieval process shows great potential in providing solution to other retrieval problems.