Hyper-X Stage Separation Trajectory Validation Studies

NASA Technical Reports Server (NTRS)

Tartabini, Paul V.; Bose, David M.; McMinn, John D.; Martin, John G.; Strovers, Brian K.

2003-01-01

An independent twelve degree-of-freedom simulation of the X-43A separation trajectory was created with the Program to Optimize Simulated trajectories (POST II). This simulation modeled the multi-body dynamics of the X-43A and its booster and included the effect of two pyrotechnically actuated pistons used to push the vehicles apart as well as aerodynamic interaction forces and moments between the two vehicles. The simulation was developed to validate trajectory studies conducted with a 14 degree-of-freedom simulation created early in the program using the Automatic Dynamic Analysis of Mechanics Systems (ADAMS) simulation software. The POST simulation was less detailed than the official ADAMS-based simulation used by the Project, but was simpler, more concise and ran faster, while providing similar results. The increase in speed provided by the POST simulation provided the Project with an alternate analysis tool. This tool was ideal for performing separation control logic trade studies that required the running of numerous Monte Carlo trajectories.

A dynamical systems approach to actin-based motility in Listeria monocytogenes

NASA Astrophysics Data System (ADS)

Hotton, S.

2010-11-01

A simple kinematic model for the trajectories of Listeria monocytogenes is generalized to a dynamical system rich enough to exhibit the resonant Hopf bifurcation structure of excitable media and simple enough to be studied geometrically. It is shown how L. monocytogenes trajectories and meandering spiral waves are organized by the same type of attracting set.

Dynamic heterogeneity in the folding/unfolding transitions of FiP35

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

Mori, Toshifumi, E-mail: mori@ims.ac.jp; Saito, Shinji, E-mail: shinji@ims.ac.jp

Molecular dynamics simulations have become an important tool in studying protein dynamics over the last few decades. Atomistic simulations on the order of micro- to milliseconds are becoming feasible and are used to study the state-of-the-art experiments in atomistic detail. Yet, analyzing the high-dimensional-long-temporal trajectory data is still a challenging task and sometimes leads to contradictory results depending on the analyses. To reveal the dynamic aspect of the trajectory, here we propose a simple approach which uses a time correlation function matrix and apply to the folding/unfolding trajectory of FiP35 WW domain [Shaw et al., Science 330, 341 (2010)]. Themore » approach successfully characterizes the slowest mode corresponding to the folding/unfolding transitions and determines the free energy barrier indicating that FiP35 is not an incipient downhill folder. The transition dynamics analysis further reveals that the folding/unfolding transition is highly heterogeneous, e.g., the transition path time varies by ∼100 fold. We identify two misfolded states and show that the dynamic heterogeneity in the folding/unfolding transitions originates from the trajectory being trapped in the misfolded and half-folded intermediate states rather than the diffusion driven by a thermal noise. The current results help reconcile the conflicting interpretations of the folding mechanism and highlight the complexity in the folding dynamics. This further motivates the need to understand the transition dynamics beyond a simple free energy picture using simulations and single-molecule experiments.« less

Cluster analysis of accelerated molecular dynamics simulations: A case study of the decahedron to icosahedron transition in Pt nanoparticles.

PubMed

Huang, Rao; Lo, Li-Ta; Wen, Yuhua; Voter, Arthur F; Perez, Danny

2017-10-21

Modern molecular-dynamics-based techniques are extremely powerful to investigate the dynamical evolution of materials. With the increase in sophistication of the simulation techniques and the ubiquity of massively parallel computing platforms, atomistic simulations now generate very large amounts of data, which have to be carefully analyzed in order to reveal key features of the underlying trajectories, including the nature and characteristics of the relevant reaction pathways. We show that clustering algorithms, such as the Perron Cluster Cluster Analysis, can provide reduced representations that greatly facilitate the interpretation of complex trajectories. To illustrate this point, clustering tools are used to identify the key kinetic steps in complex accelerated molecular dynamics trajectories exhibiting shape fluctuations in Pt nanoclusters. This analysis provides an easily interpretable coarse representation of the reaction pathways in terms of a handful of clusters, in contrast to the raw trajectory that contains thousands of unique states and tens of thousands of transitions.

Cluster analysis of accelerated molecular dynamics simulations: A case study of the decahedron to icosahedron transition in Pt nanoparticles

NASA Astrophysics Data System (ADS)

Huang, Rao; Lo, Li-Ta; Wen, Yuhua; Voter, Arthur F.; Perez, Danny

2017-10-01

Modern molecular-dynamics-based techniques are extremely powerful to investigate the dynamical evolution of materials. With the increase in sophistication of the simulation techniques and the ubiquity of massively parallel computing platforms, atomistic simulations now generate very large amounts of data, which have to be carefully analyzed in order to reveal key features of the underlying trajectories, including the nature and characteristics of the relevant reaction pathways. We show that clustering algorithms, such as the Perron Cluster Cluster Analysis, can provide reduced representations that greatly facilitate the interpretation of complex trajectories. To illustrate this point, clustering tools are used to identify the key kinetic steps in complex accelerated molecular dynamics trajectories exhibiting shape fluctuations in Pt nanoclusters. This analysis provides an easily interpretable coarse representation of the reaction pathways in terms of a handful of clusters, in contrast to the raw trajectory that contains thousands of unique states and tens of thousands of transitions.

Comparison of kinematic and dynamic leg trajectory optimization techniques for biped robot locomotion

NASA Astrophysics Data System (ADS)

Khusainov, R.; Klimchik, A.; Magid, E.

2017-01-01

The paper presents comparison analysis of two approaches in defining leg trajectories for biped locomotion. The first one operates only with kinematic limitations of leg joints and finds the maximum possible locomotion speed for given limits. The second approach defines leg trajectories from the dynamic stability point of view and utilizes ZMP criteria. We show that two methods give different trajectories and demonstrate that trajectories based on pure dynamic optimization cannot be realized due to joint limits. Kinematic optimization provides unstable solution which can be balanced by upper body movement.

Learning State Space Dynamics in Recurrent Networks

NASA Astrophysics Data System (ADS)

Simard, Patrice Yvon

Fully recurrent (asymmetrical) networks can be used to learn temporal trajectories. The network is unfolded in time, and backpropagation is used to train the weights. The presence of recurrent connections creates internal states in the system which vary as a function of time. The resulting dynamics can provide interesting additional computing power but learning is made more difficult by the existence of internal memories. This study first exhibits the properties of recurrent networks in terms of convergence when the internal states of the system are unknown. A new energy functional is provided to change the weights of the units in order to the control the stability of the fixed points of the network's dynamics. The power of the resultant algorithm is illustrated with the simulation of a content addressable memory. Next, the more general case of time trajectories on a recurrent network is studied. An application is proposed in which trajectories are generated to draw letters as a function of an input. In another application of recurrent systems, a neural network certain temporal properties observed in human callosally sectioned brains. Finally the proposed algorithm for stabilizing dynamics around fixed points is extended to one for stabilizing dynamics around time trajectories. Its effects are illustrated on a network which generates Lisajous curves.

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

NASA Astrophysics Data System (ADS)

Tao, Guohua

2017-07-01

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

Dose calculation of dynamic trajectory radiotherapy using Monte Carlo.

PubMed

Manser, P; Frauchiger, D; Frei, D; Volken, W; Terribilini, D; Fix, M K

2018-04-06

Using volumetric modulated arc therapy (VMAT) delivery technique gantry position, multi-leaf collimator (MLC) as well as dose rate change dynamically during the application. However, additional components can be dynamically altered throughout the dose delivery such as the collimator or the couch. Thus, the degrees of freedom increase allowing almost arbitrary dynamic trajectories for the beam. While the dose delivery of such dynamic trajectories for linear accelerators is technically possible, there is currently no dose calculation and validation tool available. Thus, the aim of this work is to develop a dose calculation and verification tool for dynamic trajectories using Monte Carlo (MC) methods. The dose calculation for dynamic trajectories is implemented in the previously developed Swiss Monte Carlo Plan (SMCP). SMCP interfaces the treatment planning system Eclipse with a MC dose calculation algorithm and is already able to handle dynamic MLC and gantry rotations. Hence, the additional dynamic components, namely the collimator and the couch, are described similarly to the dynamic MLC by defining data pairs of positions of the dynamic component and the corresponding MU-fractions. For validation purposes, measurements are performed with the Delta4 phantom and film measurements using the developer mode on a TrueBeam linear accelerator. These measured dose distributions are then compared with the corresponding calculations using SMCP. First, simple academic cases applying one-dimensional movements are investigated and second, more complex dynamic trajectories with several simultaneously moving components are compared considering academic cases as well as a clinically motivated prostate case. The dose calculation for dynamic trajectories is successfully implemented into SMCP. The comparisons between the measured and calculated dose distributions for the simple as well as for the more complex situations show an agreement which is generally within 3% of the maximum dose or 3mm. The required computation time for the dose calculation remains the same when the additional dynamic moving components are included. The results obtained for the dose comparisons for simple and complex situations suggest that the extended SMCP is an accurate dose calculation and efficient verification tool for dynamic trajectory radiotherapy. This work was supported by Varian Medical Systems. Copyright © 2018. Published by Elsevier GmbH.

Dynamic prediction in functional concurrent regression with an application to child growth.

PubMed

Leroux, Andrew; Xiao, Luo; Crainiceanu, Ciprian; Checkley, William

2018-04-15

In many studies, it is of interest to predict the future trajectory of subjects based on their historical data, referred to as dynamic prediction. Mixed effects models have traditionally been used for dynamic prediction. However, the commonly used random intercept and slope model is often not sufficiently flexible for modeling subject-specific trajectories. In addition, there may be useful exposures/predictors of interest that are measured concurrently with the outcome, complicating dynamic prediction. To address these problems, we propose a dynamic functional concurrent regression model to handle the case where both the functional response and the functional predictors are irregularly measured. Currently, such a model cannot be fit by existing software. We apply the model to dynamically predict children's length conditional on prior length, weight, and baseline covariates. Inference on model parameters and subject-specific trajectories is conducted using the mixed effects representation of the proposed model. An extensive simulation study shows that the dynamic functional regression model provides more accurate estimation and inference than existing methods. Methods are supported by fast, flexible, open source software that uses heavily tested smoothing techniques. © 2017 The Authors. Statistics in Medicine Published by John Wiley & Sons Ltd.

Experimental Evidence for a Structural-Dynamical Transition in Trajectory Space.

PubMed

Pinchaipat, Rattachai; Campo, Matteo; Turci, Francesco; Hallett, James E; Speck, Thomas; Royall, C Patrick

2017-07-14

Among the key insights into the glass transition has been the identification of a nonequilibrium phase transition in trajectory space which reveals phase coexistence between the normal supercooled liquid (active phase) and a glassy state (inactive phase). Here, we present evidence that such a transition occurs in experiments. In colloidal hard spheres, we find a non-Gaussian distribution of trajectories leaning towards those rich in locally favored structures (LFSs), associated with the emergence of slow dynamics. This we interpret as evidence for a nonequilibrium transition to an inactive LFS-rich phase. Reweighting trajectories reveals a first-order phase transition in trajectory space between a normal liquid and a LFS-rich phase. We also find evidence for a purely dynamical transition in trajectory space.

Antecedents of transition patterns of depressive symptom trajectories from adolescence to young adulthood.

PubMed

Lee, Tae Kyoung; Wickrama, Kandauda A S; Kwon, Josephine A; Lorenz, Frederick O; Oshri, Assaf

2017-11-01

This study examined (a) transition patterns from adolescent-specific depressive symptom trajectory classes to young adult-specific trajectory classes (N = 537; 15-26 years) and (b) identified risk factors associated with these transition patterns. The latent classes and transition analyses identified three transitional patterns of depressive symptom trajectories, including a deteriorating pattern (8.2%), a recovering pattern (22.5%), and a consistently low pattern (69.3%). Additionally, the results showed that contextual risk factors (i.e., negative economic events, negative romantic relationships, and low college enrolment rates) in the transition period to young adulthood were more positively associated with deteriorated or recovered transition patterns of depressive symptom trajectories than with the consistently low transition patterns even after taking into account the effects of adolescent risk factors. The identification of dynamic transition patterns in depressive symptom trajectories from adolescence to young adulthood and risk factors provide useful tools for preventive and intervention efforts. Statement of contribution What is already known on this subject? Heterogeneous trajectories of depressive symptoms across adolescence and young adulthood have been reported. Psychosocial characteristics differentiate trajectories of depressive symptoms from adolescence to young adulthood. What does this study add? Dynamic transition patterns of depressive symptom trajectories are found between adolescence and young adulthood. Life experiences in the transition period are uniquely associated with the transition patterns of depressive symptom trajectories even after adjusting the effects of adolescent characteristics. © 2017 The British Psychological Society.

A walk through the approximations of ab initio multiple spawning

NASA Astrophysics Data System (ADS)

Mignolet, Benoit; Curchod, Basile F. E.

2018-04-01

Full multiple spawning offers an in principle exact framework for excited-state dynamics, where nuclear wavefunctions in different electronic states are represented by a set of coupled trajectory basis functions that follow classical trajectories. The couplings between trajectory basis functions can be approximated to treat molecular systems, leading to the ab initio multiple spawning method which has been successfully employed to study the photochemistry and photophysics of several molecules. However, a detailed investigation of its approximations and their consequences is currently missing in the literature. In this work, we simulate the explicit photoexcitation and subsequent excited-state dynamics of a simple system, LiH, and we analyze (i) the effect of the ab initio multiple spawning approximations on different observables and (ii) the convergence of the ab initio multiple spawning results towards numerically exact quantum dynamics upon a progressive relaxation of these approximations. We show that, despite the crude character of the approximations underlying ab initio multiple spawning for this low-dimensional system, the qualitative excited-state dynamics is adequately captured, and affordable corrections can further be applied to ameliorate the coupling between trajectory basis functions.

A walk through the approximations of ab initio multiple spawning.

PubMed

Mignolet, Benoit; Curchod, Basile F E

2018-04-07

Full multiple spawning offers an in principle exact framework for excited-state dynamics, where nuclear wavefunctions in different electronic states are represented by a set of coupled trajectory basis functions that follow classical trajectories. The couplings between trajectory basis functions can be approximated to treat molecular systems, leading to the ab initio multiple spawning method which has been successfully employed to study the photochemistry and photophysics of several molecules. However, a detailed investigation of its approximations and their consequences is currently missing in the literature. In this work, we simulate the explicit photoexcitation and subsequent excited-state dynamics of a simple system, LiH, and we analyze (i) the effect of the ab initio multiple spawning approximations on different observables and (ii) the convergence of the ab initio multiple spawning results towards numerically exact quantum dynamics upon a progressive relaxation of these approximations. We show that, despite the crude character of the approximations underlying ab initio multiple spawning for this low-dimensional system, the qualitative excited-state dynamics is adequately captured, and affordable corrections can further be applied to ameliorate the coupling between trajectory basis functions.

Large deviations in the presence of cooperativity and slow dynamics

NASA Astrophysics Data System (ADS)

Whitelam, Stephen

2018-06-01

We study simple models of intermittency, involving switching between two states, within the dynamical large-deviation formalism. Singularities appear in the formalism when switching is cooperative or when its basic time scale diverges. In the first case the unbiased trajectory distribution undergoes a symmetry breaking, leading to a change in shape of the large-deviation rate function for a particular dynamical observable. In the second case the symmetry of the unbiased trajectory distribution remains unbroken. Comparison of these models suggests that singularities of the dynamical large-deviation formalism can signal the dynamical equivalent of an equilibrium phase transition but do not necessarily do so.

Phase space trajectories and Lyapunov exponents in the dynamics of an alpha-helical protein lattice with intra- and inter-spine interactions

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

Angelin Jeba, K.; Latha, M. M., E-mail: lathaisaac@yahoo.com; Jain, Sudhir R.

2015-11-15

The nonlinear dynamics of intra- and inter-spine interaction models of alpha-helical proteins is investigated by proposing a Hamiltonian using the first quantized operators. Hamilton's equations of motion are derived, and the dynamics is studied by constructing the trajectories and phase space plots in both cases. The phase space plots display a chaotic behaviour in the dynamics, which opens questions about the relationship between the chaos and exciton-exciton and exciton-phonon interactions. This is verified by plotting the Lyapunov characteristic exponent curves.

Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics

NASA Astrophysics Data System (ADS)

Malpathak, Shreyas; Ma, Xinyou; Hase, William L.

2018-04-01

In a previous UB3LYP/6-31G* direct dynamics simulation, non-Rice-Ramsperger-Kassel-Marcus (RRKM) unimolecular dynamics was found for vibrationally excited 1,2-dioxetane (DO); [R. Sun et al., J. Chem. Phys. 137, 044305 (2012)]. In the work reported here, these dynamics are studied in more detail using the same direct dynamics method. Vibrational modes of DO were divided into 4 groups, based on their characteristic motions, and each group excited with the same energy. To compare with the dynamics of these groups, an additional group of trajectories comprising a microcanonical ensemble was also simulated. The results of these simulations are consistent with the previous study. The dissociation probability, N(t)/N(0), for these excitation groups were all different. Groups A, B, and C, without initial excitation in the O-O stretch reaction coordinate, had a time lag to of 0.25-1.0 ps for the first dissociation to occur. Somewhat surprisingly, the C-H stretch Group A and out-of-plane motion Group C excitations had exponential dissociation probabilities after to, with a rate constant ˜2 times smaller than the anharmonic RRKM value. Groups B and D, with excitation of the H-C-H bend and wag, and ring bend and stretch modes, respectively, had bi-exponential dissociation probabilities. For Group D, with excitation localized in the reaction coordinate, the initial rate constant is ˜7 times larger than the anharmonic RRKM value, substantial apparent non-RRKM dynamics. N(t)/N(0) for the random excitation trajectories was non-exponential, indicating intrinsic non-RRKM dynamics. For the trajectory integration time of 13.5 ps, 9% of these trajectories did not dissociate in comparison to the RRKM prediction of 0.3%. Classical power spectra for these trajectories indicate they have regular intramolecular dynamics. The N(t)/N(0) for the excitation groups are well described by a two-state coupled phase space model. From the intercept of N(t)/N(0) with random excitation, the anharmonic correction to the RRKM rate constant is approximately a factor of 1.5.

Generalized Gaussian wave packet dynamics: Integrable and chaotic systems.

PubMed

Pal, Harinder; Vyas, Manan; Tomsovic, Steven

2016-01-01

The ultimate semiclassical wave packet propagation technique is a complex, time-dependent Wentzel-Kramers-Brillouin method known as generalized Gaussian wave packet dynamics (GGWPD). It requires overcoming many technical difficulties in order to be carried out fully in practice. In its place roughly twenty years ago, linearized wave packet dynamics was generalized to methods that include sets of off-center, real trajectories for both classically integrable and chaotic dynamical systems that completely capture the dynamical transport. The connections between those methods and GGWPD are developed in a way that enables a far more practical implementation of GGWPD. The generally complex saddle-point trajectories at its foundation are found using a multidimensional Newton-Raphson root search method that begins with the set of off-center, real trajectories. This is possible because there is a one-to-one correspondence. The neighboring trajectories associated with each off-center, real trajectory form a path that crosses a unique saddle; there are exceptions that are straightforward to identify. The method is applied to the kicked rotor to demonstrate the accuracy improvement as a function of ℏ that comes with using the saddle-point trajectories.

Preserving correlations between trajectories for efficient path sampling

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

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

2015-06-21

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

Swing-leg trajectory of running guinea fowl suggests task-level priority of force regulation rather than disturbance rejection.

PubMed

Blum, Yvonne; Vejdani, Hamid R; Birn-Jeffery, Aleksandra V; Hubicki, Christian M; Hurst, Jonathan W; Daley, Monica A

2014-01-01

To achieve robust and stable legged locomotion in uneven terrain, animals must effectively coordinate limb swing and stance phases, which involve distinct yet coupled dynamics. Recent theoretical studies have highlighted the critical influence of swing-leg trajectory on stability, disturbance rejection, leg loading and economy of walking and running. Yet, simulations suggest that not all these factors can be simultaneously optimized. A potential trade-off arises between the optimal swing-leg trajectory for disturbance rejection (to maintain steady gait) versus regulation of leg loading (for injury avoidance and economy). Here we investigate how running guinea fowl manage this potential trade-off by comparing experimental data to predictions of hypothesis-based simulations of running over a terrain drop perturbation. We use a simple model to predict swing-leg trajectory and running dynamics. In simulations, we generate optimized swing-leg trajectories based upon specific hypotheses for task-level control priorities. We optimized swing trajectories to achieve i) constant peak force, ii) constant axial impulse, or iii) perfect disturbance rejection (steady gait) in the stance following a terrain drop. We compare simulation predictions to experimental data on guinea fowl running over a visible step down. Swing and stance dynamics of running guinea fowl closely match simulations optimized to regulate leg loading (priorities i and ii), and do not match the simulations optimized for disturbance rejection (priority iii). The simulations reinforce previous findings that swing-leg trajectory targeting disturbance rejection demands large increases in stance leg force following a terrain drop. Guinea fowl negotiate a downward step using unsteady dynamics with forward acceleration, and recover to steady gait in subsequent steps. Our results suggest that guinea fowl use swing-leg trajectory consistent with priority for load regulation, and not for steadiness of gait. Swing-leg trajectory optimized for load regulation may facilitate economy and injury avoidance in uneven terrain.

Swing-Leg Trajectory of Running Guinea Fowl Suggests Task-Level Priority of Force Regulation Rather than Disturbance Rejection

PubMed Central

Blum, Yvonne; Vejdani, Hamid R.; Birn-Jeffery, Aleksandra V.; Hubicki, Christian M.; Hurst, Jonathan W.; Daley, Monica A.

2014-01-01

To achieve robust and stable legged locomotion in uneven terrain, animals must effectively coordinate limb swing and stance phases, which involve distinct yet coupled dynamics. Recent theoretical studies have highlighted the critical influence of swing-leg trajectory on stability, disturbance rejection, leg loading and economy of walking and running. Yet, simulations suggest that not all these factors can be simultaneously optimized. A potential trade-off arises between the optimal swing-leg trajectory for disturbance rejection (to maintain steady gait) versus regulation of leg loading (for injury avoidance and economy). Here we investigate how running guinea fowl manage this potential trade-off by comparing experimental data to predictions of hypothesis-based simulations of running over a terrain drop perturbation. We use a simple model to predict swing-leg trajectory and running dynamics. In simulations, we generate optimized swing-leg trajectories based upon specific hypotheses for task-level control priorities. We optimized swing trajectories to achieve i) constant peak force, ii) constant axial impulse, or iii) perfect disturbance rejection (steady gait) in the stance following a terrain drop. We compare simulation predictions to experimental data on guinea fowl running over a visible step down. Swing and stance dynamics of running guinea fowl closely match simulations optimized to regulate leg loading (priorities i and ii), and do not match the simulations optimized for disturbance rejection (priority iii). The simulations reinforce previous findings that swing-leg trajectory targeting disturbance rejection demands large increases in stance leg force following a terrain drop. Guinea fowl negotiate a downward step using unsteady dynamics with forward acceleration, and recover to steady gait in subsequent steps. Our results suggest that guinea fowl use swing-leg trajectory consistent with priority for load regulation, and not for steadiness of gait. Swing-leg trajectory optimized for load regulation may facilitate economy and injury avoidance in uneven terrain. PMID:24979750

Scaffolding Dynamics and the Emergence of Problematic Learning Trajectories

ERIC Educational Resources Information Center

Steenbeek, Henderien; Jansen, Louise; van Geert, Paul

2012-01-01

This study aims at examining problematic learning trajectories of students with emotional behavioral disorders (EBD) by means of a longitudinal and time serial (micro genetic) study of individual instruction sessions during arithmetic lessons. Micro genetic analysis techniques were applied on the variable "responsiveness" in the scaffolding…

Quantum dynamics modeled by interacting trajectories

NASA Astrophysics Data System (ADS)

Cruz-Rodríguez, L.; Uranga-Piña, L.; Martínez-Mesa, A.; Meier, C.

2018-03-01

We present quantum dynamical simulations based on the propagation of interacting trajectories where the effect of the quantum potential is mimicked by effective pseudo-particle interactions. The method is applied to several quantum systems, both for bound and scattering problems. For the bound systems, the quantum ground state density and zero point energy are shown to be perfectly obtained by the interacting trajectories. In the case of time-dependent quantum scattering, the Eckart barrier and uphill ramp are considered, with transmission coefficients in very good agreement with standard quantum calculations. Finally, we show that via wave function synthesis along the trajectories, correlation functions and energy spectra can be obtained based on the dynamics of interacting trajectories.

Lane changing trajectory planning and tracking control for intelligent vehicle on curved road.

PubMed

Wang, Lukun; Zhao, Xiaoying; Su, Hao; Tang, Gongyou

2016-01-01

This paper explores lane changing trajectory planning and tracking control for intelligent vehicle on curved road. A novel arcs trajectory is planned for the desired lane changing trajectory. A kinematic controller and a dynamics controller are designed to implement the trajectory tracking control. Firstly, the kinematic model and dynamics model of intelligent vehicle with non-holonomic constraint are established. Secondly, two constraints of lane changing on curved road in practice (LCCP) are proposed. Thirdly, two arcs with same curvature are constructed for the desired lane changing trajectory. According to the geometrical characteristics of arcs trajectory, equations of desired state can be calculated. Finally, the backstepping method is employed to design a kinematic trajectory tracking controller. Then the sliding-mode dynamics controller is designed to ensure that the motion of the intelligent vehicle can follow the desired velocity generated by kinematic controller. The stability of control system is proved by Lyapunov theory. Computer simulation demonstrates that the desired arcs trajectory and state curves with B-spline optimization can meet the requirements of LCCP constraints and the proposed control schemes can make tracking errors to converge uniformly.

Essential dynamics/factor analysis for the interpretation of molecular dynamics trajectories

NASA Astrophysics Data System (ADS)

Kaźmierkiewicz, R.; Czaplewski, C.; Lammek, B.; Ciarkowski, J.

1999-01-01

Subject of this work is the analysis of molecular dynamics (MD) trajectories of neurophysins I (NPI) and II (NPII) and their complexes with the neurophyseal nonapeptide hormones oxytocin (OT) and vasopresssin (VP), respectively, simulated in water. NPs serve in the neurosecretory granules as carrier proteins for the hormones before their release to the blood. The starting data consisted of two pairs of different trajectories for each of the (NPII/VP)2 and (NPI/OT)2 heterotetramers and two more trajectories for the NPII2 and NPI2 homodimers (six trajectories in total). Using essential dynamics which, to our judgement, is equivalent to factor analysis, we found that only about 10 degrees of freedom per trajectory are necessary and sufficient to describe in full the motions relevant for the function of the protein. This is consistent with these motions to explain about 90% of the total variance of the system. These principal degrees of freedom represent slow anharmonic motional modes, clearly pointing at distinguished mobility of the atoms involved in the protein's functionality.

Mothers' Depression and Educational Attainment and Their Children's Academic Trajectories

ERIC Educational Resources Information Center

Augustine, Jennifer March; Crosnoe, Robert

2010-01-01

In this study, we take a dynamic approach to studying the connections among mothers' education, their depression, and their children's academic trajectories during elementary school. Applying latent growth curve modeling to longitudinal data from the National Institute of Child Health and Human Development's Study of Early Child Care and Youth…

Attractors of equations of non-Newtonian fluid dynamics

NASA Astrophysics Data System (ADS)

Zvyagin, V. G.; Kondrat'ev, S. K.

2014-10-01

This survey describes a version of the trajectory-attractor method, which is applied to study the limit asymptotic behaviour of solutions of equations of non-Newtonian fluid dynamics. The trajectory-attractor method emerged in papers of the Russian mathematicians Vishik and Chepyzhov and the American mathematician Sell under the condition that the corresponding trajectory spaces be invariant under the translation semigroup. The need for such an approach was caused by the fact that for many equations of mathematical physics for which the Cauchy initial-value problem has a global (weak) solution with respect to the time, the uniqueness of such a solution has either not been established or does not hold. In particular, this is the case for equations of fluid dynamics. At the same time, trajectory spaces invariant under the translation semigroup could not be constructed for many equations of non-Newtonian fluid dynamics. In this connection, a different approach to the construction of trajectory attractors for dissipative systems was proposed in papers of Zvyagin and Vorotnikov without using invariance of trajectory spaces under the translation semigroup and is based on the topological lemma of Shura-Bura. This paper presents examples of equations of non-Newtonian fluid dynamics (the Jeffreys system describing movement of the Earth's crust, the model of motion of weak aqueous solutions of polymers, a system with memory) for which the aforementioned construction is used to prove the existence of attractors in both the autonomous and the non-autonomous cases. At the beginning of the paper there is also a brief exposition of the results of Ladyzhenskaya on the existence of attractors of the two-dimensional Navier-Stokes system and the result of Vishik and Chepyzhov for the case of attractors of the three-dimensional Navier-Stokes system. Bibliography: 34 titles.

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

PubMed

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

2018-05-23

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

Trajectories of Identity Formation Modes and Their Personality Context in Adolescence.

PubMed

Topolewska-Siedzik, Ewa; Cieciuch, Jan

2018-04-01

Identity formation is a dynamic process during adolescence. Trajectories of identity formation were assessed longitudinally in early and middle adolescents, taking into account the personality underpinnings of this process. Identity formation was conceptualized according to the circumplex of identity formation modes. The model distinguishes basic modes rooted in Marcia's categories of exploration and commitment. Plasticity and stability, the two higher order Big Five meta-traits, were used to assess personality underpinnings. This study includes five measurement waves over 1.5 years and involves 1,839 Polish participants; 914 early adolescents (53.9% girls) and 925 middle adolescents (63.8% girls). The results suggest that (1) the four identity formation modes change dynamically, showing linear and curvilinear growth and that (2) identity formation mode trajectories are more dynamic in middle adolescence than in early adolescence. The results also showed that, in the conditional model, (3) the higher-order personality factors and gender affect the growth factors of identity formation modes. Overall, trajectories of identity formation modes are more linear during early adolescence and more curvilinear during middle adolescence. The initial levels in identity trajectories are influenced by the personality metatraits but only plasticity is related to change among early adolescents.

Schrödinger–Langevin equation with quantum trajectories for photodissociation dynamics

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

Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw

The Schrödinger–Langevin equation is integrated to study the wave packet dynamics of quantum systems subject to frictional effects by propagating an ensemble of quantum trajectories. The equations of motion for the complex action and quantum trajectories are derived from the Schrödinger–Langevin equation. The moving least squares approach is used to evaluate the spatial derivatives of the complex action required for the integration of the equations of motion. Computational results are presented and analyzed for the evolution of a free Gaussian wave packet, a two-dimensional barrier model, and the photodissociation dynamics of NOCl. The absorption spectrum of NOCl obtained from themore » Schrödinger–Langevin equation displays a redshift when frictional effects increase. This computational result agrees qualitatively with the experimental results in the solution-phase photochemistry of NOCl.« less

Trajectory phase transitions and dynamical Lee-Yang zeros of the Glauber-Ising chain.

PubMed

Hickey, James M; Flindt, Christian; Garrahan, Juan P

2013-07-01

We examine the generating function of the time-integrated energy for the one-dimensional Glauber-Ising model. At long times, the generating function takes on a large-deviation form and the associated cumulant generating function has singularities corresponding to continuous trajectory (or "space-time") phase transitions between paramagnetic trajectories and ferromagnetically or antiferromagnetically ordered trajectories. In the thermodynamic limit, the singularities make up a whole curve of critical points in the complex plane of the counting field. We evaluate analytically the generating function by mapping the generator of the biased dynamics to a non-Hermitian Hamiltonian of an associated quantum spin chain. We relate the trajectory phase transitions to the high-order cumulants of the time-integrated energy which we use to extract the dynamical Lee-Yang zeros of the generating function. This approach offers the possibility to detect continuous trajectory phase transitions from the finite-time behavior of measurable quantities.

Trajectory control method of stratospheric airship based on the sliding mode control and prediction in wind field

NASA Astrophysics Data System (ADS)

Zhang, Jia-shi; Yang, Xi-xiang

2017-11-01

The stratospheric airship has the characteristics of large inertia, long time delay and large disturbance of wind field , so the trajectory control is very difficult .Build the lateral three degrees of freedom dynamic model which consider the wind interference , the dynamics equation is linearized by the small perturbation theory, propose a trajectory control method Combine with the sliding mode control and prediction, design the trajectory controller , takes the HAA airship as the reference to carry out simulation analysis. Results show that the improved sliding mode control with front-feedback method not only can solve well control problems of airship trajectory in wind field, but also can effectively improve the control accuracy of the traditional sliding mode control method, solved problems that using the traditional sliding mode control to control. It provides a useful reference for dynamic modeling and trajectory control of stratospheric airship.

Breastfeeding and Trajectories of Children's Cognitive Development

ERIC Educational Resources Information Center

Huang, Jin; Peters, Kristen E.; Vaughn, Michael G.; Witko, Christopher

2014-01-01

The aim of this study was to examine the association of breastfeeding practices with the growth trajectories of children's cognitive development. We used data from the Child Development Supplement (CDS) of the Panel Study of Income Dynamics (PSID) with variables on presence and duration of breastfeeding and standardized test scores obtained…

Feedback Integrators

NASA Astrophysics Data System (ADS)

Chang, Dong Eui; Jiménez, Fernando; Perlmutter, Matthew

2016-12-01

A new method is proposed to numerically integrate a dynamical system on a manifold such that the trajectory stably remains on the manifold and preserves the first integrals of the system. The idea is that given an initial point in the manifold we extend the dynamics from the manifold to its ambient Euclidean space and then modify the dynamics outside the intersection of the manifold and the level sets of the first integrals containing the initial point such that the intersection becomes a unique local attractor of the resultant dynamics. While the modified dynamics theoretically produces the same trajectory as the original dynamics, it yields a numerical trajectory that stably remains on the manifold and preserves the first integrals. The big merit of our method is that the modified dynamics can be integrated with any ordinary numerical integrator such as Euler or Runge-Kutta. We illustrate this method by applying it to three famous problems: the free rigid body, the Kepler problem and a perturbed Kepler problem with rotational symmetry. We also carry out simulation studies to demonstrate the excellence of our method and make comparisons with the standard projection method, a splitting method and Störmer-Verlet schemes.

Visualizing global properties of a molecular dynamics trajectory.

PubMed

Zhou, Hao; Li, Shangyang; Makowski, Lee

2016-01-01

Molecular dynamics (MD) trajectories are very large data sets that contain substantial information about the dynamic behavior of a protein. Condensing these data into a form that can provide intuitively useful understanding of the molecular behavior during the trajectory is a substantial challenge that has received relatively little attention. Here, we introduce the sigma-r plot, a plot of the standard deviation of intermolecular distances as a function of that distance. This representation of global dynamics contains within a single, one-dimensional plot, the average range of motion between pairs of atoms within a macromolecule. Comparison of sigma-r plots calculated from 10 ns trajectories of proteins representing the four major SCOP fold classes indicates diversity of dynamic behaviors which are recognizably different among the four classes. Differences in domain structure and molecular weight also produce recognizable features in sigma-r plots, reflective of differences in global dynamics. Plots generated from trajectories with progressively increasing simulation time reflect the increased sampling of the structural ensemble as a function of time. Single amino acid replacements can give rise to changes in global dynamics detectable through comparison of sigma-r plots. Dynamic behavior of substructures can be monitored by careful choice of interatomic vectors included in the calculation. These examples provide demonstrations of the utility of the sigma-r plot to provide a simple measure of the global dynamics of a macromolecule. © 2015 Wiley Periodicals, Inc.

Trajectory Adjustments Underlying Task-Specific Intermittent Force Behaviors and Muscular Rhythms

PubMed Central

Chen, Yi-Ching; Lin, Yen-Ting; Huang, Chien-Ting; Shih, Chia-Li; Yang, Zong-Ru; Hwang, Ing-Shiou

2013-01-01

Force intermittency is one of the major causes of motor variability. Focusing on the dynamics of force intermittency, this study was undertaken to investigate how force trajectory is fine-tuned for static and dynamic force-tracking of a comparable physical load. Twenty-two healthy adults performed two unilateral resistance protocols (static force-tracking at 75% maximal effort and dynamic force-tracking in the range of 50%–100% maximal effort) using the left hand. The electromyographic activity and force profile of the designated hand were monitored. Gripping force was off-line decomposed into a primary movement spectrally identical to the target motion and a force intermittency profile containing numerous force pulses. The results showed that dynamic force-tracking exhibited greater intermittency amplitude and force pulse but a smaller amplitude ratio of primary movement to force intermittency than static force-tracking. Multi-scale entropy analysis revealed that force intermittency during dynamic force-tracking was more complex on a low time scale but more regular on a high time scale than that of static force-tracking. Together with task-dependent force intermittency properties, dynamic force-tracking exhibited a smaller 8–12 Hz muscular oscillation but a more potentiated muscular oscillation at 35–50 Hz than static force-tracking. In conclusion, force intermittency reflects differing trajectory controls for static and dynamic force-tracking. The target goal of dynamic tracking is achieved through trajectory adjustments that are more intricate and more frequent than those of static tracking, pertaining to differing organizations and functioning of muscular oscillations in the alpha and gamma bands. PMID:24098640

On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum

PubMed Central

2017-01-01

We present an on-the-fly ab initio semiclassical study of vibrational energy levels of glycine, calculated by Fourier transform of the wavepacket correlation function. It is based on a multiple coherent states approach integrated with monodromy matrix regularization for chaotic dynamics. All four lowest-energy glycine conformers are investigated by means of single-trajectory semiclassical spectra obtained upon classical evolution of on-the-fly trajectories with harmonic zero-point energy. For the most stable conformer I, direct dynamics trajectories are also run for each vibrational mode with energy equal to the first harmonic excitation. An analysis of trajectories evolved up to 50 000 atomic time units demonstrates that, in this time span, conformers II and III can be considered as isolated species, while conformers I and IV show a pretty facile interconversion. Therefore, previous perturbative studies based on the assumption of isolated conformers are often reliable but might be not completely appropriate in the case of conformer IV and conformer I for which interconversion occurs promptly. PMID:28489368

Hierarchical relaxation dynamics in a tilted two-band Bose-Hubbard model

NASA Astrophysics Data System (ADS)

Cosme, Jayson G.

2018-04-01

We numerically examine slow and hierarchical relaxation dynamics of interacting bosons described by a tilted two-band Bose-Hubbard model. The system is found to exhibit signatures of quantum chaos within the spectrum and the validity of the eigenstate thermalization hypothesis for relevant physical observables is demonstrated for certain parameter regimes. Using the truncated Wigner representation in the semiclassical limit of the system, dynamics of relevant observables reveal hierarchical relaxation and the appearance of prethermalized states is studied from the perspective of statistics of the underlying mean-field trajectories. The observed prethermalization scenario can be attributed to different stages of glassy dynamics in the mode-time configuration space due to dynamical phase transition between ergodic and nonergodic trajectories.

Threshold collision-induced dissociation of diatomic molecules: a case study of the energetics and dynamics of O2- collisions with Ar and Xe.

PubMed

Ahu Akin, F; Ree, Jongbaik; Ervin, Kent M; Kyu Shin, Hyung

2005-08-08

The energetics and dynamics of collision-induced dissociation of O2- with Ar and Xe targets are studied experimentally using guided ion-beam tandem mass spectrometry. The cross sections and the collision dynamics are modeled theoretically by classical trajectory calculations. Experimental apparent threshold energies are 2.1 and 1.1 eV in excess of the thermochemical O2- bond dissociation energy for argon and xenon, respectively. Classical trajectory calculations confirm the observed threshold behavior and the dependence of cross sections on the relative kinetic energy. Representative trajectories reveal that the bond dissociation takes place on a short time scale of about 50 fs in strong direct collisions. Collision-induced dissociation is found to be remarkably restricted to the perpendicular approach of ArXe to the molecular axis of O2-, while collinear collisions do not result in dissociation. The higher collisional energy-transfer efficiency of xenon compared with argon is attributed to both mass and polarizability effects.

Clustering molecular dynamics trajectories for optimizing docking experiments.

PubMed

De Paris, Renata; Quevedo, Christian V; Ruiz, Duncan D; Norberto de Souza, Osmar; Barros, Rodrigo C

2015-01-01

Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task. Computational intelligence techniques have been applied in this context, with the ultimate goal of reducing the overall computational cost so the task can become feasible. Particularly, clustering algorithms have been widely used as a means to reduce the dimensionality of molecular dynamics trajectories. In this paper, we develop a novel methodology for clustering entire trajectories using structural features from the substrate-binding cavity of the receptor in order to optimize docking experiments on a cloud-based environment. The resulting partition was selected based on three clustering validity criteria, and it was further validated by analyzing the interactions between 20 ligands and a fully flexible receptor (FFR) model containing a 20 ns molecular dynamics simulation trajectory. Our proposed methodology shows that taking into account features of the substrate-binding cavity as input for the k-means algorithm is a promising technique for accurately selecting ensembles of representative structures tailored to a specific ligand.

KmL3D: a non-parametric algorithm for clustering joint trajectories.

PubMed

Genolini, C; Pingault, J B; Driss, T; Côté, S; Tremblay, R E; Vitaro, F; Arnaud, C; Falissard, B

2013-01-01

In cohort studies, variables are measured repeatedly and can be considered as trajectories. A classic way to work with trajectories is to cluster them in order to detect the existence of homogeneous patterns of evolution. Since cohort studies usually measure a large number of variables, it might be interesting to study the joint evolution of several variables (also called joint-variable trajectories). To date, the only way to cluster joint-trajectories is to cluster each trajectory independently, then to cross the partitions obtained. This approach is unsatisfactory because it does not take into account a possible co-evolution of variable-trajectories. KmL3D is an R package that implements a version of k-means dedicated to clustering joint-trajectories. It provides facilities for the management of missing values, offers several quality criteria and its graphic interface helps the user to select the best partition. KmL3D can work with any number of joint-variable trajectories. In the restricted case of two joint trajectories, it proposes 3D tools to visualize the partitioning and then export 3D dynamic rotating-graphs to PDF format. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

An inverse dynamics approach to trajectory optimization for an aerospace plane

NASA Technical Reports Server (NTRS)

Lu, Ping

1992-01-01

An inverse dynamics approach for trajectory optimization is proposed. This technique can be useful in many difficult trajectory optimization and control problems. The application of the approach is exemplified by ascent trajectory optimization for an aerospace plane. Both minimum-fuel and minimax types of performance indices are considered. When rocket augmentation is available for ascent, it is shown that accurate orbital insertion can be achieved through the inverse control of the rocket in the presence of disturbances.

Mathematical and Computational Foundations of Recurrence Quantifications

NASA Astrophysics Data System (ADS)

Marwan, Norbert; Webber, Charles L.

Real-world systems possess deterministic trajectories, phase singularities and noise. Dynamic trajectories have been studied in temporal and frequency domains, but these are linear approaches. Basic to the field of nonlinear dynamics is the representation of trajectories in phase space. A variety of nonlinear tools such as the Lyapunov exponent, Kolmogorov-Sinai entropy, correlation dimension, etc. have successfully characterized trajectories in phase space, provided the systems studied were stationary in time. Ubiquitous in nature, however, are systems that are nonlinear and nonstationary, existing in noisy environments all of which are assumption breaking to otherwise powerful linear tools. What has been unfolding over the last quarter of a century, however, is the timely discovery and practical demonstration that the recurrences of system trajectories in phase space can provide important clues to the system designs from which they derive. In this chapter we will introduce the basics of recurrence plots (RP) and their quantification analysis (RQA). We will begin by summarizing the concept of phase space reconstructions. Then we will provide the mathematical underpinnings of recurrence plots followed by the details of recurrence quantifications. Finally, we will discuss computational approaches that have been implemented to make recurrence strategies feasible and useful. As computers become faster and computer languages advance, younger generations of researchers will be stimulated and encouraged to capture nonlinear recurrence patterns and quantification in even better formats. This particular branch of nonlinear dynamics remains wide open for the definition of new recurrence variables and new applications untouched to date.

Flight Dynamics Operations: Methods and Lessons Learned from Space Shuttle Orbit Operations

NASA Technical Reports Server (NTRS)

Cutri-Kohart, Rebecca M.

2011-01-01

The Flight Dynamics Officer is responsible for trajectory maintenance of the Space Shuttle. This paper will cover high level operational considerations, methodology, procedures, and lessons learned involved in performing the functions of orbit and rendezvous Flight Dynamics Officer and leading the team of flight dynamics specialists during different phases of flight. The primary functions that will be address are: onboard state vector maintenance, ground ephemeris maintenance, calculation of ground and spacecraft acquisitions, collision avoidance, burn targeting for the primary mission, rendezvous, deorbit and contingencies, separation sequences, emergency deorbit preparation, mass properties coordination, payload deployment planning, coordination with the International Space Station, and coordination with worldwide trajectory customers. Each of these tasks require the Flight Dynamics Officer to have cognizance of the current trajectory state as well as the impact of future events on the trajectory plan in order to properly analyze and react to real-time changes. Additionally, considerations are made to prepare flexible alternative trajectory plans in the case timeline changes or a systems failure impact the primary plan. The evolution of the methodology, procedures, and techniques used by the Flight Dynamics Officer to perform these tasks will be discussed. Particular attention will be given to how specific Space Shuttle mission and training simulation experiences, particularly off-nominal or unexpected events such as shortened mission durations, tank failures, contingency deorbit, navigation errors, conjunctions, and unexpected payload deployments, have influenced the operational procedures and training for performing Space Shuttle flight dynamics operations over the history of the program. These lessons learned can then be extended to future vehicle trajectory operations.

Dynamics and Kinetics Study of "In-Water" Chemical Reactions by Enhanced Sampling of Reactive Trajectories.

PubMed

Zhang, Jun; Yang, Y Isaac; Yang, Lijiang; Gao, Yi Qin

2015-11-12

High potential energy barriers and engagement of solvent coordinates set challenges for in silico studies of chemical reactions, and one is quite commonly limited to study reactions along predefined reaction coordinate(s). A systematic protocol, QM/MM MD simulations using enhanced sampling of reactive trajectories (ESoRT), is established to quantitatively study chemical transitions in complex systems. A number of trajectories for Claisen rearrangement in water and toluene were collected and analyzed, respectively. Evidence was found that the bond making and breaking during this reaction are concerted processes in solutions, preferentially through a chairlike configuration. Water plays an important dynamic role that helps stabilize the transition sate, and the dipole-dipole interaction between water and the solute also lowers the transition barrier. The calculated rate coefficient is consistent with the experimental measurement. Compared with water, the reaction pathway in toluene is "narrower" and the reaction rate is slower by almost three orders of magnitude due to the absence of proper interactions to stabilize the transition state. This study suggests that the "in-water" nature of the Claisen rearrangement in aqueous solution influences its thermodynamics, kinetics, as well as dynamics.

Biased Brownian dynamics for rate constant calculation.

PubMed

Zou, G; Skeel, R D; Subramaniam, S

2000-08-01

An enhanced sampling method-biased Brownian dynamics-is developed for the calculation of diffusion-limited biomolecular association reaction rates with high energy or entropy barriers. Biased Brownian dynamics introduces a biasing force in addition to the electrostatic force between the reactants, and it associates a probability weight with each trajectory. A simulation loses weight when movement is along the biasing force and gains weight when movement is against the biasing force. The sampling of trajectories is then biased, but the sampling is unbiased when the trajectory outcomes are multiplied by their weights. With a suitable choice of the biasing force, more reacted trajectories are sampled. As a consequence, the variance of the estimate is reduced. In our test case, biased Brownian dynamics gives a sevenfold improvement in central processing unit (CPU) time with the choice of a simple centripetal biasing force.

A study to evaluate STS heads-up ascent trajectory performance employing a minimum-Hamiltonian optimization strategy

NASA Technical Reports Server (NTRS)

Sinha, Sujit

1988-01-01

A study was conducted to evaluate the performance implications of a heads-up ascent flight design for the Space Transportation System, as compared to the current heads-down flight mode. The procedure involved the use of the Minimum Hamiltonian Ascent Shuttle Trajectory Evaluation Program, which is a three-degree-of-freedom moment balance simulation of shuttle ascent. A minimum-Hamiltonian optimization strategy was employed to maximize injection weight as a function of maximum dynamic pressure constraint and Solid Rocket Motor burnrate. Performance Reference Mission Four trajectory groundrules were used for consistency. The major conclusions are that for heads-up ascent and a mission nominal design maximum dynamic pressure value of 680 psf, the optimum solid motor burnrate is 0.394 ips, which produces a performance enhancement of 4293 lbm relative to the baseline heads-down ascent, with 0.368 ips burnrate solid motors and a 680 psf dynamic pressure constraint. However, no performance advantage exists for heads-up flight if the current Solid Rocket Motor target burnrate of 0.368 ips is used. The advantage of heads-up ascent flight employing the current burnrate is that Space Shuttle Main Engine throttling for dynamic pressure control is not necessary.

State-resolved Thermal/Hyperthermal Dynamics of Atmospheric Species

DTIC Science & Technology

2015-06-23

gas -room temperature ionic liquid (RTIL) interfaces. 2) Large scale trajectory simulations for theoretical analysis of gas - liquid scattering studies...areas: 1) Diode laser and LIF studies of hyperthermal CO2 and NO collisions at the gas -room temperature ionic liquid (RTIL) interfaces. 2) Large...scale trajectory simulations for theoretical analysis of gas - liquid scattering studies, 3) LIF data for state-resolved scattering of hyperthermal NO at

Fast optimization of glide vehicle reentry trajectory based on genetic algorithm

NASA Astrophysics Data System (ADS)

Jia, Jun; Dong, Ruixing; Yuan, Xuejun; Wang, Chuangwei

2018-02-01

An optimization method of reentry trajectory based on genetic algorithm is presented to meet the need of reentry trajectory optimization for glide vehicle. The dynamic model for the glide vehicle during reentry period is established. Considering the constraints of heat flux, dynamic pressure, overload etc., the optimization of reentry trajectory is investigated by utilizing genetic algorithm. The simulation shows that the method presented by this paper is effective for the optimization of reentry trajectory of glide vehicle. The efficiency and speed of this method is comparative with the references. Optimization results meet all constraints, and the on-line fast optimization is potential by pre-processing the offline samples.

Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments

PubMed Central

De Paris, Renata; Quevedo, Christian V.; Ruiz, Duncan D.; Norberto de Souza, Osmar; Barros, Rodrigo C.

2015-01-01

Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task. Computational intelligence techniques have been applied in this context, with the ultimate goal of reducing the overall computational cost so the task can become feasible. Particularly, clustering algorithms have been widely used as a means to reduce the dimensionality of molecular dynamics trajectories. In this paper, we develop a novel methodology for clustering entire trajectories using structural features from the substrate-binding cavity of the receptor in order to optimize docking experiments on a cloud-based environment. The resulting partition was selected based on three clustering validity criteria, and it was further validated by analyzing the interactions between 20 ligands and a fully flexible receptor (FFR) model containing a 20 ns molecular dynamics simulation trajectory. Our proposed methodology shows that taking into account features of the substrate-binding cavity as input for the k-means algorithm is a promising technique for accurately selecting ensembles of representative structures tailored to a specific ligand. PMID:25873944

Goddard trajectory determination subsystem: Mathematical specifications

NASA Technical Reports Server (NTRS)

Wagner, W. E. (Editor); Velez, C. E. (Editor)

1972-01-01

The mathematical specifications of the Goddard trajectory determination subsystem of the flight dynamics system are presented. These specifications include the mathematical description of the coordinate systems, dynamic and measurement model, numerical integration techniques, and statistical estimation concepts.

Solar Sail Spaceflight Simulation

NASA Technical Reports Server (NTRS)

Lisano, Michael; Evans, James; Ellis, Jordan; Schimmels, John; Roberts, Timothy; Rios-Reyes, Leonel; Scheeres, Daniel; Bladt, Jeff; Lawrence, Dale; Piggott, Scott

2007-01-01

The Solar Sail Spaceflight Simulation Software (S5) toolkit provides solar-sail designers with an integrated environment for designing optimal solar-sail trajectories, and then studying the attitude dynamics/control, navigation, and trajectory control/correction of sails during realistic mission simulations. Unique features include a high-fidelity solar radiation pressure model suitable for arbitrarily-shaped solar sails, a solar-sail trajectory optimizer, capability to develop solar-sail navigation filter simulations, solar-sail attitude control models, and solar-sail high-fidelity force models.

Extending Bell's beables to encompass dissipation, decoherence, and the quantum-to-classical transition through quantum trajectories

NASA Astrophysics Data System (ADS)

Lorenzen, F.; de Ponte, M. A.; Moussa, M. H. Y.

2009-09-01

In this paper, employing the Itô stochastic Schrödinger equation, we extend Bell’s beable interpretation of quantum mechanics to encompass dissipation, decoherence, and the quantum-to-classical transition through quantum trajectories. For a particular choice of the source of stochasticity, the one leading to a dissipative Lindblad-type correction to the Hamiltonian dynamics, we find that the diffusive terms in Nelsons stochastic trajectories are naturally incorporated into Bohm’s causal dynamics, yielding a unified Bohm-Nelson theory. In particular, by analyzing the interference between quantum trajectories, we clearly identify the decoherence time, as estimated from the quantum formalism. We also observe the quantum-to-classical transition in the convergence of the infinite ensemble of quantum trajectories to their classical counterparts. Finally, we show that our extended beables circumvent the problems in Bohm’s causal dynamics regarding stationary states in quantum mechanics.

Trajectory tracking control for underactuated stratospheric airship

NASA Astrophysics Data System (ADS)

Zheng, Zewei; Huo, Wei; Wu, Zhe

2012-10-01

Stratospheric airship is a new kind of aerospace system which has attracted worldwide developing interests for its broad application prospects. Based on the trajectory linearization control (TLC) theory, a novel trajectory tracking control method for an underactuated stratospheric airship is presented in this paper. Firstly, the TLC theory is described sketchily, and the dynamic model of the stratospheric airship is introduced with kinematics and dynamics equations. Then, the trajectory tracking control strategy is deduced in detail. The designed control system possesses a cascaded structure which consists of desired attitude calculation, position control loop and attitude control loop. Two sub-loops are designed for the position and attitude control loops, respectively, including the kinematics control loop and dynamics control loop. Stability analysis shows that the controlled closed-loop system is exponentially stable. Finally, simulation results for the stratospheric airship to track typical trajectories are illustrated to verify effectiveness of the proposed approach.

Advanced launch system trajectory optimization using suboptimal control

NASA Technical Reports Server (NTRS)

Shaver, Douglas A.; Hull, David G.

1993-01-01

The maximum-final mass trajectory of a proposed configuration of the Advanced Launch System is presented. A model for the two-stage rocket is given; the optimal control problem is formulated as a parameter optimization problem; and the optimal trajectory is computed using a nonlinear programming code called VF02AD. Numerical results are presented for the controls (angle of attack and velocity roll angle) and the states. After the initial rotation, the angle of attack goes to a positive value to keep the trajectory as high as possible, returns to near zero to pass through the transonic regime and satisfy the dynamic pressure constraint, returns to a positive value to keep the trajectory high and to take advantage of minimum drag at positive angle of attack due to aerodynamic shading of the booster, and then rolls off to negative values to satisfy the constraints. Because the engines cannot be throttled, the maximum dynamic pressure occurs at a single point; there is no maximum dynamic pressure subarc. To test approximations for obtaining analytical solutions for guidance, two additional optimal trajectories are computed: one using untrimmed aerodynamics and one using no atmospheric effects except for the dynamic pressure constraint. It is concluded that untrimmed aerodynamics has a negligible effect on the optimal trajectory and that approximate optimal controls should be able to be obtained by treating atmospheric effects as perturbations.

Chaotic trajectories in the standard map. The concept of anti-integrability

NASA Astrophysics Data System (ADS)

Aubry, Serge; Abramovici, Gilles

1990-07-01

A rigorous proof is given in the standard map (associated with a Frenkel-Kontorowa model) for the existence of chaotic trajectories with unbounded momenta for large enough coupling constant k > k0. These chaotic trajectories (with finite entropy per site) are coded by integer sequences { mi} such that the sequence bi = |m i+1 + m i-1-2m i| be bounded by some integer b. The bound k0 in k depends on b and can be lowered for coding sequences { mi} fulfilling more restrictive conditions. The obtained chaotic trajectories correspond to stationary configurations of the Frenkel-Kontorowa model with a finite (non-zero) photon gap (called gap parameter in dimensionless units). This property implies that the trajectory (or the configuration { ui}) can be uniquely continued as a uniformly continuous function of the model parameter k in some neighborhood of the initial configuration. A non-zero gap parameter implies that the Lyapunov coefficient is strictly positive (when it is defined). In addition, the existence of dilating and contracting manifolds is proven for these chaotic trajectories. “Exotic” trajectories such as ballistic trajectories are also proven to exist as a consequence of these theorems. The concept of anti-integrability emerges from these theorems. In the anti-integrable limit which can be only defined for a discrete time dynamical system, the coordinates of the trajectory at time i do not depend on the coordinates at time i - 1. Thus, at this singular limit, the existence of chaotic trajectories is trivial and the dynamical system reduces to a Bernoulli shift. It is well known that the KAM tori of symplectic dynamical originates by continuity from the invariant tori which exists in the integrible limit (under certain conditions). In a similar way, it appears that the chaotic trajectories of dynamical systems originate by continuity from those which exists at the anti-integrable limits (also under certain conditions).

Interpolating moving least-squares methods for fitting potential energy surfaces: using classical trajectories to explore configuration space.

PubMed

Dawes, Richard; Passalacqua, Alessio; Wagner, Albert F; Sewell, Thomas D; Minkoff, Michael; Thompson, Donald L

2009-04-14

We develop two approaches for growing a fitted potential energy surface (PES) by the interpolating moving least-squares (IMLS) technique using classical trajectories. We illustrate both approaches by calculating nitrous acid (HONO) cis-->trans isomerization trajectories under the control of ab initio forces from low-level HF/cc-pVDZ electronic structure calculations. In this illustrative example, as few as 300 ab initio energy/gradient calculations are required to converge the isomerization rate constant at a fixed energy to approximately 10%. Neither approach requires any preliminary electronic structure calculations or initial approximate representation of the PES (beyond information required for trajectory initial conditions). Hessians are not required. Both approaches rely on the fitting error estimation properties of IMLS fits. The first approach, called IMLS-accelerated direct dynamics, propagates individual trajectories directly with no preliminary exploratory trajectories. The PES is grown "on the fly" with the computation of new ab initio data only when a fitting error estimate exceeds a prescribed tight tolerance. The second approach, called dynamics-driven IMLS fitting, uses relatively inexpensive exploratory trajectories to both determine and fit the dynamically accessible configuration space. Once exploratory trajectories no longer find configurations with fitting error estimates higher than the designated accuracy, the IMLS fit is considered to be complete and usable in classical trajectory calculations or other applications.

Trajectory Design Considerations for Small Body Touch-and-Go

NASA Technical Reports Server (NTRS)

Wallace, Mark; Broschart, Stephen; Bonfiglio, Eugene; Bhaskharan, Shyam; Cangahuala, Alberto

2011-01-01

Outline: (1) Trajectory Description (2) Design Drivers: (2a) Dynamics (2b) Environment (2c) Spacecraft and Ground and System Capabilities (2d) Mission Objectives (3) Design Choices (4) Historical Precedents (5) Case Studies. What is Touch-and-Go (TAG)? (1) Descent to the surface (2) Brief contact (3) Ascends to a safe distance

Quantum trajectory analysis of multimode subsystem-bath dynamics.

PubMed

Wyatt, Robert E; Na, Kyungsun

2002-01-01

The dynamics of a swarm of quantum trajectories is investigated for systems involving the interaction of an active mode (the subsystem) with an M-mode harmonic reservoir (the bath). Equations of motion for the position, velocity, and action function for elements of the probability fluid are integrated in the Lagrangian (moving with the fluid) picture of quantum hydrodynamics. These fluid elements are coupled through the Bohm quantum potential and as a result evolve as a correlated ensemble. Wave function synthesis along the trajectories permits an exact description of the quantum dynamics for the evolving probability fluid. The approach is fully quantum mechanical and does not involve classical or semiclassical approximations. Computational results are presented for three systems involving the interaction on an active mode with M=1, 10, and 15 bath modes. These results include configuration space trajectory evolution, flux analysis of the evolving ensemble, wave function synthesis along trajectories, and energy partitioning along specific trajectories. These results demonstrate the feasibility of using a small number of quantum trajectories to obtain accurate quantum results on some types of open quantum systems that are not amenable to standard quantum approaches involving basis set expansions or Eulerian space-fixed grids.

Principal component analysis for protein folding dynamics.

PubMed

Maisuradze, Gia G; Liwo, Adam; Scheraga, Harold A

2009-01-09

Protein folding is considered here by studying the dynamics of the folding of the triple beta-strand WW domain from the Formin-binding protein 28. Starting from the unfolded state and ending either in the native or nonnative conformational states, trajectories are generated with the coarse-grained united residue (UNRES) force field. The effectiveness of principal components analysis (PCA), an already established mathematical technique for finding global, correlated motions in atomic simulations of proteins, is evaluated here for coarse-grained trajectories. The problems related to PCA and their solutions are discussed. The folding and nonfolding of proteins are examined with free-energy landscapes. Detailed analyses of many folding and nonfolding trajectories at different temperatures show that PCA is very efficient for characterizing the general folding and nonfolding features of proteins. It is shown that the first principal component captures and describes in detail the dynamics of a system. Anomalous diffusion in the folding/nonfolding dynamics is examined by the mean-square displacement (MSD) and the fractional diffusion and fractional kinetic equations. The collisionless (or ballistic) behavior of a polypeptide undergoing Brownian motion along the first few principal components is accounted for.

Probing the dynamics of restriction endonuclease NgoMIV-DNA interaction by single-molecule FRET.

PubMed

Tutkus, Marijonas; Sasnauskas, Giedrius; Rutkauskas, Danielis

2017-12-01

Many type II restriction endonucleases require two copies of their recognition sequence for optimal activity. Concomitant binding of two DNA sites by such an enzyme produces a DNA loop. Here we exploit single-molecule Förster resonance energy transfer (smFRET) of surface-immobilized DNA fragments to study the dynamics of DNA looping induced by tetrameric endonuclease NgoMIV. We have employed a DNA fragment with two NgoMIV recognition sites and a FRET dye pair such that upon protein-induced DNA looping the dyes are brought to close proximity resulting in a FRET signal. The dynamics of DNA-NgoMIV interactions proved to be heterogeneous, with individual smFRET trajectories exhibiting broadly different average looped state durations. Distinct types of the dynamics were attributed to different types of DNA-protein complexes, mediated either by one NgoMIV tetramer simultaneously bound to two specific sites ("slow" trajectories) or by semi-specific interactions of two DNA-bound NgoMIV tetramers ("fast" trajectories), as well as to conformational heterogeneity of individual NgoMIV molecules. © 2017 Wiley Periodicals, Inc.

Memory and Depressive Symptoms Are Dynamically Linked among Married Couples: Longitudinal Evidence from the AHEAD Study

ERIC Educational Resources Information Center

Gerstorf, Denis; Hoppmann, Christiane A.; Kadlec, Kelly M.; McArdle, John J.

2009-01-01

This study examined dyadic interrelations between episodic memory and depressive symptom trajectories of change in old and advanced old age. The authors applied dynamic models to 10-year incomplete longitudinal data of initially 1,599 married couples from the study of Asset and Health Dynamics Among the Oldest Old (M[subscript age] = 75 years at…

Prediction of human gait trajectories during the SSP using a neuromusculoskeletal modeling: A challenge for parametric optimization.

PubMed

Seyed, Mohammadali Rahmati; Mostafa, Rostami; Borhan, Beigzadeh

2018-04-27

The parametric optimization techniques have been widely employed to predict human gait trajectories; however, their applications to reveal the other aspects of gait are questionable. The aim of this study is to investigate whether or not the gait prediction model is able to justify the movement trajectories for the higher average velocities. A planar, seven-segment model with sixteen muscle groups was used to represent human neuro-musculoskeletal dynamics. At first, the joint angles, ground reaction forces (GRFs) and muscle activations were predicted and validated for normal average velocity (1.55 m/s) in the single support phase (SSP) by minimizing energy expenditure, which is subject to the non-linear constraints of the gait. The unconstrained system dynamics of extended inverse dynamics (USDEID) approach was used to estimate muscle activations. Then by scaling time and applying the same procedure, the movement trajectories were predicted for higher average velocities (from 2.07 m/s to 4.07 m/s) and compared to the pattern of movement with fast walking speed. The comparison indicated a high level of compatibility between the experimental and predicted results, except for the vertical position of the center of gravity (COG). It was concluded that the gait prediction model can be effectively used to predict gait trajectories for higher average velocities.

Trajectory NG: portable, compressed, general molecular dynamics trajectories.

PubMed

Spångberg, Daniel; Larsson, Daniel S D; van der Spoel, David

2011-10-01

We present general algorithms for the compression of molecular dynamics trajectories. The standard ways to store MD trajectories as text or as raw binary floating point numbers result in very large files when efficient simulation programs are used on supercomputers. Our algorithms are based on the observation that differences in atomic coordinates/velocities, in either time or space, are generally smaller than the absolute values of the coordinates/velocities. Also, it is often possible to store values at a lower precision. We apply several compression schemes to compress the resulting differences further. The most efficient algorithms developed here use a block sorting algorithm in combination with Huffman coding. Depending on the frequency of storage of frames in the trajectory, either space, time, or combinations of space and time differences are usually the most efficient. We compare the efficiency of our algorithms with each other and with other algorithms present in the literature for various systems: liquid argon, water, a virus capsid solvated in 15 mM aqueous NaCl, and solid magnesium oxide. We perform tests to determine how much precision is necessary to obtain accurate structural and dynamic properties, as well as benchmark a parallelized implementation of the algorithms. We obtain compression ratios (compared to single precision floating point) of 1:3.3-1:35 depending on the frequency of storage of frames and the system studied.

Consistent Principal Component Modes from Molecular Dynamics Simulations of Proteins.

PubMed

Cossio-Pérez, Rodrigo; Palma, Juliana; Pierdominici-Sottile, Gustavo

2017-04-24

Principal component analysis is a technique widely used for studying the movements of proteins using data collected from molecular dynamics simulations. In spite of its extensive use, the technique has a serious drawback: equivalent simulations do not afford the same PC-modes. In this article, we show that concatenating equivalent trajectories and calculating the PC-modes from the concatenated one significantly enhances the reproducibility of the results. Moreover, the consistency of the modes can be systematically improved by adding more individual trajectories to the concatenated one.

IRVE-II Post-Flight Trajectory Reconstruction

NASA Technical Reports Server (NTRS)

O'Keefe, Stephen A.; Bose, David M.

2010-01-01

NASA s Inflatable Re-entry Vehicle Experiment (IRVE) II successfully demonstrated an inflatable aerodynamic decelerator after being launched aboard a sounding rocket from Wallops Flight Facility (WFF). Preliminary day of flight data compared well with pre-flight Monte Carlo analysis, and a more complete trajectory reconstruction performed with an Extended Kalman Filter (EKF) approach followed. The reconstructed trajectory and comparisons to an attitude solution provided by NASA Sounding Rocket Operations Contract (NSROC) personnel at WFF are presented. Additional comparisons are made between the reconstructed trajectory and pre and post-flight Monte Carlo trajectory predictions. Alternative observations of the trajectory are summarized which leverage flight accelerometer measurements, the pre-flight aerodynamic database, and on-board flight video. Finally, analysis of the payload separation and aeroshell deployment events are presented. The flight trajectory is reconstructed to fidelity sufficient to assess overall project objectives related to flight dynamics and overall, IRVE-II flight dynamics are in line with expectations

Nonlinear dynamics of an elliptic vortex embedded in an oscillatory shear flow.

PubMed

Ryzhov, Eugene A

2017-11-01

The nonlinear dynamics of an elliptic vortex subjected to a time-periodic linear external shear flow is studied numerically. Making use of the ideas from the theory of nonlinear resonance overlaps, the study focuses on the appearance of chaotic regimes in the ellipse dynamics. When the superimposed flow is stationary, two general types of the steady-state phase portrait are considered: one that features a homoclinic separatrix delineating bounded and unbounded phase trajectories and one without a separatrix (all the phase trajectories are bounded in a periodic domain). When the external flow is time-periodic, the ensuing nonlinear dynamics differs significantly in both cases. For the case with a separatrix and two distinct types of phase trajectories: bounded and unbounded, the effect of the most influential nonlinear resonance with the winding number of 1:1 is analyzed in detail. Namely, the process of occupying the central stability region associated with the steady-state elliptic critical point by the stability region associated with the nonlinear resonance of 1:1 as the perturbation frequency gradually varies is investigated. A stark increase in the persistence of the central regular dynamics region against perturbation when the resonance of 1:1 associated stability region occupies the region associated with the steady-state elliptic critical point is observed. An analogous persistence of the regular motion occurs for higher perturbation frequencies when the corresponding stability islands reach the central stability region associated with the steady-state elliptic point. An analysis for the case with the resonance of 1:2 is presented. For the second case with only bounded phase trajectories and, therefore, no separatrix, the appearance of much bigger stability islands associated with nonlinear resonances compared with the case with a separatrix is reported.

Molecular dynamics studies of a DNA-binding protein: 2. An evaluation of implicit and explicit solvent models for the molecular dynamics simulation of the Escherichia coli trp repressor.

PubMed Central

Guenot, J.; Kollman, P. A.

1992-01-01

Although aqueous simulations with periodic boundary conditions more accurately describe protein dynamics than in vacuo simulations, these are computationally intensive for most proteins. Trp repressor dynamic simulations with a small water shell surrounding the starting model yield protein trajectories that are markedly improved over gas phase, yet computationally efficient. Explicit water in molecular dynamics simulations maintains surface exposure of protein hydrophilic atoms and burial of hydrophobic atoms by opposing the otherwise asymmetric protein-protein forces. This properly orients protein surface side chains, reduces protein fluctuations, and lowers the overall root mean square deviation from the crystal structure. For simulations with crystallographic waters only, a linear or sigmoidal distance-dependent dielectric yields a much better trajectory than does a constant dielectric model. As more water is added to the starting model, the differences between using distance-dependent and constant dielectric models becomes smaller, although the linear distance-dependent dielectric yields an average structure closer to the crystal structure than does a constant dielectric model. Multiplicative constants greater than one, for the linear distance-dependent dielectric simulations, produced trajectories that are progressively worse in describing trp repressor dynamics. Simulations of bovine pancreatic trypsin were used to ensure that the trp repressor results were not protein dependent and to explore the effect of the nonbonded cutoff on the distance-dependent and constant dielectric simulation models. The nonbonded cutoff markedly affected the constant but not distance-dependent dielectric bovine pancreatic trypsin inhibitor simulations. As with trp repressor, the distance-dependent dielectric model with a shell of water surrounding the protein produced a trajectory in better agreement with the crystal structure than a constant dielectric model, and the physical properties of the trajectory average structure, both with and without a nonbonded cutoff, were comparable. PMID:1304396

Nonlinear dynamic analysis and optimal trajectory planning of a high-speed macro-micro manipulator

NASA Astrophysics Data System (ADS)

Yang, Yi-ling; Wei, Yan-ding; Lou, Jun-qiang; Fu, Lei; Zhao, Xiao-wei

2017-09-01

This paper reports the nonlinear dynamic modeling and the optimal trajectory planning for a flexure-based macro-micro manipulator, which is dedicated to the large-scale and high-speed tasks. In particular, a macro- micro manipulator composed of a servo motor, a rigid arm and a compliant microgripper is focused. Moreover, both flexure hinges and flexible beams are considered. By combining the pseudorigid-body-model method, the assumed mode method and the Lagrange equation, the overall dynamic model is derived. Then, the rigid-flexible-coupling characteristics are analyzed by numerical simulations. After that, the microscopic scale vibration excited by the large-scale motion is reduced through the trajectory planning approach. Especially, a fitness function regards the comprehensive excitation torque of the compliant microgripper is proposed. The reference curve and the interpolation curve using the quintic polynomial trajectories are adopted. Afterwards, an improved genetic algorithm is used to identify the optimal trajectory by minimizing the fitness function. Finally, the numerical simulations and experiments validate the feasibility and the effectiveness of the established dynamic model and the trajectory planning approach. The amplitude of the residual vibration reduces approximately 54.9%, and the settling time decreases 57.1%. Therefore, the operation efficiency and manipulation stability are significantly improved.

Feedback tracking control for dynamic morphing of piezocomposite actuated flexible wings

NASA Astrophysics Data System (ADS)

Wang, Xiaoming; Zhou, Wenya; Wu, Zhigang

2018-03-01

Aerodynamic properties of flexible wings can be improved via shape morphing using piezocomposite materials. Dynamic shape control of flexible wings is investigated in this study by considering the interactions between structural dynamics, unsteady aerodynamics and piezo-actuations. A novel antisymmetric angle-ply bimorph configuration of piezocomposite actuators is presented to realize coupled bending-torsional shape control. The active aeroelastic model is derived using finite element method and Theodorsen unsteady aerodynamic loads. A time-varying linear quadratic Gaussian (LQG) tracking control system is designed to enhance aerodynamic lift with pre-defined trajectories. Proof-of-concept simulations of static and dynamic shape control are presented for a scaled high-aspect-ratio wing model. Vibrations of the wing and fluctuations in aerodynamic forces are caused by using the static voltages directly in dynamic shape control. The lift response has tracked the trajectories well with favorable dynamic morphing performance via feedback tracking control.

Estimation of Center of Mass Trajectory using Wearable Sensors during Golf Swing.

PubMed

Najafi, Bijan; Lee-Eng, Jacqueline; Wrobel, James S; Goebel, Ruben

2015-06-01

This study suggests a wearable sensor technology to estimate center of mass (CoM) trajectory during a golf swing. Groups of 3, 4, and 18 participants were recruited, respectively, for the purpose of three validation studies. Study 1 examined the accuracy of the system to estimate a 3D body segment angle compared to a camera-based motion analyzer (Vicon®). Study 2 assessed the accuracy of three simplified CoM trajectory models. Finally, Study 3 assessed the accuracy of the proposed CoM model during multiple golf swings. A relatively high agreement was observed between wearable sensors and the reference (Vicon®) for angle measurement (r > 0.99, random error <1.2° (1.5%) for anterior-posterior; <0.9° (2%) for medial-lateral; and <3.6° (2.5%) for internal-external direction). The two-link model yielded a better agreement with the reference system compared to one-link model (r > 0.93 v. r = 0.52, respectively). On the same note, the proposed two-link model estimated CoM trajectory during golf swing with relatively good accuracy (r > 0.9, A-P random error <1cm (7.7%) and <2cm (10.4%) for M-L). The proposed system appears to accurately quantify the kinematics of CoM trajectory as a surrogate of dynamic postural control during an athlete's movement and its portability, makes it feasible to fit the competitive environment without restricting surface type. Key pointsThis study demonstrates that wearable technology based on inertial sensors are accurate to estimate center of mass trajectory in complex athletic task (e.g., golf swing)This study suggests that two-link model of human body provides optimum tradeoff between accuracy and minimum number of sensor module for estimation of center of mass trajectory in particular during fast movements.Wearable technologies based on inertial sensors are viable option for assessing dynamic postural control in complex task outside of gait laboratory and constraints of cameras, surface, and base of support.

Hybrid Differential Dynamic Programming with Stochastic Search

NASA Technical Reports Server (NTRS)

Aziz, Jonathan; Parker, Jeffrey; Englander, Jacob

2016-01-01

Differential dynamic programming (DDP) has been demonstrated as a viable approach to low-thrust trajectory optimization, namely with the recent success of NASAs Dawn mission. The Dawn trajectory was designed with the DDP-based Static Dynamic Optimal Control algorithm used in the Mystic software. Another recently developed method, Hybrid Differential Dynamic Programming (HDDP) is a variant of the standard DDP formulation that leverages both first-order and second-order state transition matrices in addition to nonlinear programming (NLP) techniques. Areas of improvement over standard DDP include constraint handling, convergence properties, continuous dynamics, and multi-phase capability. DDP is a gradient based method and will converge to a solution nearby an initial guess. In this study, monotonic basin hopping (MBH) is employed as a stochastic search method to overcome this limitation, by augmenting the HDDP algorithm for a wider search of the solution space.

Ab Initio Molecular Dynamics Studies on Substitution vs. Electron Transfer Reactions of Substituted Ketyl Radical Anions with Chloroalkanes: How Do the Two Products Form in a Borderline Mechanism?

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

Yamataka, H.; Aida, Misako; Dupuis, Michel

We present a qualitative analysis, based on ab initio molecular dynamics (MD) calculations, of the SN2/ET mechanistic spectrum for three reactions: (1) HC(CN)=O.- + CH3Cl, (2) HC(CN)=O.- + (CH3)2CHCl, and (3) H2C=O.- + CH3Cl, passing through their SN2-like transition states. The finite temperature (298 K) direct-MD simulations indicate that the trajectories for reaction 1 appear to have a propensity towards SN2 products, the propensity for trajectories for reaction 2 seems to be towards ET products, whereas trajectories for reaction 3 appear to show no particular propensity towards either ET or SN2 products. The mechanistic diversity is consistent with the electronmore » donating ability of the ketyl species and steric bulkiness of chloroalkanes. We find that the trajectories have characteristics that reflect strongly the types of process (SN2 trajectories in reactions 1 and 3 vs. ET trajectories in reactions 2 and 3). Trajectories that lead to SN2 products are simple with C-C bond formation and C-Cl bond breaking essentially completed within 50 fs. By contrast, trajectories leading to ET products are more complex with a sudden electron reorganization taking place within 15 - 30 fs and the major bonding changes and electron and spin reorganizations completed after 250 fs.« less

Chaotic scattering in an open vase-shaped cavity: Topological, numerical, and experimental results

NASA Astrophysics Data System (ADS)

Novick, Jaison Allen

We present a study of trajectories in a two-dimensional, open, vase-shaped cavity in the absence of forces The classical trajectories freely propagate between elastic collisions. Bound trajectories, regular scattering trajectories, and chaotic scattering trajectories are present in the vase. Most importantly, we find that classical trajectories passing through the vase's mouth escape without return. In our simulations, we propagate bursts of trajectories from point sources located along the vase walls. We record the time for escaping trajectories to pass through the vase's neck. Constructing a plot of escape time versus the initial launch angle for the chaotic trajectories reveals a vastly complicated recursive structure or a fractal. This fractal structure can be understood by a suitable coordinate transform. Reducing the dynamics to two dimensions reveals that the chaotic dynamics are organized by a homoclinic tangle, which is formed by the union of infinitely long, intersecting stable and unstable manifolds. This study is broken down into three major components. We first present a topological theory that extracts the essential topological information from a finite subset of the tangle and encodes this information in a set of symbolic dynamical equations. These equations can be used to predict a topologically forced minimal subset of the recursive structure seen in numerically computed escape time plots. We present three applications of the theory and compare these predictions to our simulations. The second component is a presentation of an experiment in which the vase was constructed from Teflon walls using an ultrasound transducer as a point source. We compare the escaping signal to a classical simulation and find agreement between the two. Finally, we present an approximate solution to the time independent Schrodinger Equation for escaping waves. We choose a set of points at which to evaluate the wave function and interpolate trajectories connecting the source point to each "detector point". We then construct the wave function directly from these classical trajectories using the two-dimensional WKB approximation. The wave function is Fourier Transformed using a Fast Fourier Transform algorithm resulting in a spectrum in which each peak corresponds to an interpolated trajectory. Our predictions are based on an imagined experiment that uses microwave propagation within an electromagnetic waveguide. Such an experiment exploits the fact that under suitable conditions both Maxwell's Equations and the Schrodinger Equation can be reduced to the Helmholtz Equation. Therefore, our predictions, while compared to the electromagnetic experiment, contain information about the quantum system. Identifying peaks in the transmission spectrum with chaotic trajectories will allow for an additional experimental verification of the intermediate recursive structure. Finally, we summarize our results and discuss possible extensions of this project.

Electronic excitation and quenching of atoms at insulator surfaces

NASA Technical Reports Server (NTRS)

Swaminathan, P. K.; Garrett, Bruce C.; Murthy, C. S.

1988-01-01

A trajectory-based semiclassical method is used to study electronically inelastic collisions of gas atoms with insulator surfaces. The method provides for quantum-mechanical treatment of the internal electronic dynamics of a localized region involving the gas/surface collision, and a classical treatment of all the nuclear degrees of freedom (self-consistently and in terms of stochastic trajectories), and includes accurate simulation of the bath-temperature effects. The method is easy to implement and has a generality that holds promise for many practical applications. The problem of electronically inelastic dynamics is solved by computing a set of stochastic trajectories that on thermal averaging directly provide electronic transition probabilities at a given temperature. The theory is illustrated by a simple model of a two-state gas/surface interaction.

Fluctuating hydrodynamics, current fluctuations, and hyperuniformity in boundary-driven open quantum chains

NASA Astrophysics Data System (ADS)

Carollo, Federico; Garrahan, Juan P.; Lesanovsky, Igor; Pérez-Espigares, Carlos

2017-11-01

We consider a class of either fermionic or bosonic noninteracting open quantum chains driven by dissipative interactions at the boundaries and study the interplay of coherent transport and dissipative processes, such as bulk dephasing and diffusion. Starting from the microscopic formulation, we show that the dynamics on large scales can be described in terms of fluctuating hydrodynamics. This is an important simplification as it allows us to apply the methods of macroscopic fluctuation theory to compute the large deviation (LD) statistics of time-integrated currents. In particular, this permits us to show that fermionic open chains display a third-order dynamical phase transition in LD functions. We show that this transition is manifested in a singular change in the structure of trajectories: while typical trajectories are diffusive, rare trajectories associated with atypical currents are ballistic and hyperuniform in their spatial structure. We confirm these results by numerically simulating ensembles of rare trajectories via the cloning method, and by exact numerical diagonalization of the microscopic quantum generator.

Fluctuating hydrodynamics, current fluctuations, and hyperuniformity in boundary-driven open quantum chains.

PubMed

Carollo, Federico; Garrahan, Juan P; Lesanovsky, Igor; Pérez-Espigares, Carlos

2017-11-01

We consider a class of either fermionic or bosonic noninteracting open quantum chains driven by dissipative interactions at the boundaries and study the interplay of coherent transport and dissipative processes, such as bulk dephasing and diffusion. Starting from the microscopic formulation, we show that the dynamics on large scales can be described in terms of fluctuating hydrodynamics. This is an important simplification as it allows us to apply the methods of macroscopic fluctuation theory to compute the large deviation (LD) statistics of time-integrated currents. In particular, this permits us to show that fermionic open chains display a third-order dynamical phase transition in LD functions. We show that this transition is manifested in a singular change in the structure of trajectories: while typical trajectories are diffusive, rare trajectories associated with atypical currents are ballistic and hyperuniform in their spatial structure. We confirm these results by numerically simulating ensembles of rare trajectories via the cloning method, and by exact numerical diagonalization of the microscopic quantum generator.

Histories of poverty and self-rated health trajectories.

PubMed

McDonough, Peggy; Berglund, Pat

2003-06-01

This paper investigates the dynamic relationship between poverty histories and self-rated health trajectories. We are interested in patterns of change in individuals' health over time and the ways in which such patterns are structured by continuity and change in poverty experiences. Data, collected for adults aged 25 and older in 1984 (N = 7,258), are from the 1968-1996 annual waves of Panel Study of Income Dynamics (PSID). Individual growth curves allow us to investigate health trajectories as continuous processes, as well as individual and group heterogeneity in these trajectories. We find that, on average, health deteriorates slowly over time, but there is significant variation in health in 1984 and the rate at which health declines. Histories of poverty partly accounted for the sources of individual differences in self-rated health in 1984, but they were not related to health change over time. Although increasing incomes were better for self-rated health than falling incomes, current economic circumstances did not erase the health effects of earlier poverty experiences.

Multiobjective Optimization of Low-Energy Trajectories Using Optimal Control on Dynamical Channels

NASA Technical Reports Server (NTRS)

Coffee, Thomas M.; Anderson, Rodney L.; Lo, Martin W.

2011-01-01

We introduce a computational method to design efficient low-energy trajectories by extracting initial solutions from dynamical channels formed by invariant manifolds, and improving these solutions through variational optimal control. We consider trajectories connecting two unstable periodic orbits in the circular restricted 3-body problem (CR3BP). Our method leverages dynamical channels to generate a range of solutions, and approximates the areto front for impulse and time of flight through a multiobjective optimization of these solutions based on primer vector theory. We demonstrate the application of our method to a libration orbit transfer in the Earth-Moon system.

An Energy-Aware Trajectory Optimization Layer for sUAS

NASA Astrophysics Data System (ADS)

Silva, William A.

The focus of this work is the implementation of an energy-aware trajectory optimization algorithm that enables small unmanned aircraft systems (sUAS) to operate in unknown, dynamic severe weather environments. The software is designed as a component of an Energy-Aware Dynamic Data Driven Application System (EA-DDDAS) for sUAS. This work addresses the challenges of integrating and executing an online trajectory optimization algorithm during mission operations in the field. Using simplified aircraft kinematics, the energy-aware algorithm enables extraction of kinetic energy from measured winds to optimize thrust use and endurance during flight. The optimization layer, based upon a nonlinear program formulation, extracts energy by exploiting strong wind velocity gradients in the wind field, a process known as dynamic soaring. The trajectory optimization layer extends the energy-aware path planner developed by Wenceslao Shaw-Cortez te{Shaw-cortez2013} to include additional mission configurations, simulations with a 6-DOF model, and validation of the system with flight testing in June 2015 in Lubbock, Texas. The trajectory optimization layer interfaces with several components within the EA-DDDAS to provide an sUAS with optimal flight trajectories in real-time during severe weather. As a result, execution timing, data transfer, and scalability are considered in the design of the software. Severe weather also poses a measure of unpredictability to the system with respect to communication between systems and available data resources during mission operations. A heuristic mission tree with different cost functions and constraints is implemented to provide a level of adaptability to the optimization layer. Simulations and flight experiments are performed to assess the efficacy of the trajectory optimization layer. The results are used to assess the feasibility of flying dynamic soaring trajectories with existing controllers as well as to verify the interconnections between EA-DDDAS components. Results also demonstrate the usage of the trajectory optimization layer in conjunction with a lattice-based path planner as a method of guiding the optimization layer and stitching together subsequent trajectories.

Dynamics of the GB3 loop regions from MD simulation: how much of it is real?

PubMed

Li, Tong; Jing, Qingqing; Yao, Lishan

2011-04-07

A total of 1.1 μs of molecular dynamics (MD) simulations were performed to study the structure and dynamics of protein GB3. The simulation motional amplitude of the loop regions is generally overestimated in comparison with the experimental backbone N-H order parameters S(2). Two-state behavior is observed for several residues in these regions, with the minor state population in the range of 3-13%. Further inspection suggests that the (φ, ψ) dihedral angles of the minor states deviate from the GB3 experimental values, implying the existence of nonnative states. After fitting the MD trajectories of these residues to the NMR RDCs, the minor state populations are significantly reduced by at least 80%, suggesting that MD simulations are strongly biased toward the minor states, thus overestimating the dynamics of the loop regions. The optimized trajectories produce intra, sequential H(N)-H(α) RDCs and intra (3)J(HNHα) that are not included in the trajectories fitting for these residues that are closer to the experimental data. Unlike GB3, 0.55 μs MD simulations of protein ubiquitin do not show distinctive minor states, and the derived NMR order parameters are better converged. Our findings indicate that the artifacts of the simulations depend on the specific system studied and that one should be cautious interpreting the enhanced dihedral dynamics from long MD simulations.

Fractional dynamics using an ensemble of classical trajectories

NASA Astrophysics Data System (ADS)

Sun, Zhaopeng; Dong, Hao; Zheng, Yujun

2018-01-01

A trajectory-based formulation for fractional dynamics is presented and the trajectories are generated deterministically. In this theoretical framework, we derive a new class of estimators in terms of confluent hypergeometric function (F11) to represent the Riesz fractional derivative. Using this method, the simulation of free and confined Lévy flight are in excellent agreement with the exact numerical and analytical results. In addition, the barrier crossing in a bistable potential driven by Lévy noise of index α is investigated. In phase space, the behavior of trajectories reveal the feature of Lévy flight in a better perspective.

A Novel Approach for Enhancement of Automobile Clutch Engagement Quality Using Mechatronics Based Automated Clutch System

NASA Astrophysics Data System (ADS)

Tripathi, K.

2013-01-01

In automated manual clutch (AMC) a mechatronic system controls clutch force trajectory through an actuator governed by a control system. The present study identifies relevant characteristics of this trajectory and their effects on driveline dynamics and engagement quality. A new type of force trajectory is identified which gives the good engagement quality. However this trajectory is not achievable through conventional clutch control mechanism. But in AMC a mechatronic system based on electro-hydraulic or electro-mechanical elements can make it feasible. A mechatronic system is presented in which a mechatronic add-on system can be used to implement the novel force trajectory, without the requirement of replacing the traditional diaphragm spring based clutch in a vehicle with manual transmission.

Optimization of fixed-range trajectories for supersonic transport aircraft

NASA Astrophysics Data System (ADS)

Windhorst, Robert Dennis

1999-11-01

This thesis develops near-optimal guidance laws that generate minimum fuel, time, or direct operating cost fixed-range trajectories for supersonic transport aircraft. The approach uses singular perturbation techniques to time-scale de-couple the equations of motion into three sets of dynamics, two of which are analyzed in the main body of this thesis and one of which is analyzed in the Appendix. The two-point-boundary-value-problems obtained by application of the maximum principle to the dynamic systems are solved using the method of matched asymptotic expansions. Finally, the two solutions are combined using the matching principle and an additive composition rule to form a uniformly valid approximation of the full fixed-range trajectory. The approach is used on two different time-scale formulations. The first holds weight constant, and the second allows weight and range dynamics to propagate on the same time-scale. Solutions for the first formulation are only carried out to zero order in the small parameter, while solutions for the second formulation are carried out to first order. Calculations for a HSCT design were made to illustrate the method. Results show that the minimum fuel trajectory consists of three segments: a minimum fuel energy-climb, a cruise-climb, and a minimum drag glide. The minimum time trajectory also has three segments: a maximum dynamic pressure ascent, a constant altitude cruise, and a maximum dynamic pressure glide. The minimum direct operating cost trajectory is an optimal combination of the two. For realistic costs of fuel and flight time, the minimum direct operating cost trajectory is very similar to the minimum fuel trajectory. Moreover, the HSCT has three local optimum cruise speeds, with the globally optimum cruise point at the highest allowable speed, if range is sufficiently long. The final range of the trajectory determines which locally optimal speed is best. Ranges of 500 to 6,000 nautical miles, subsonic and supersonic mixed flight, and varying fuel efficiency cases are analyzed. Finally, the payload-range curve of the HSCT design is determined.

Motion Tree Delineates Hierarchical Structure of Protein Dynamics Observed in Molecular Dynamics Simulation

PubMed Central

Moritsugu, Kei; Koike, Ryotaro; Yamada, Kouki; Kato, Hiroaki; Kidera, Akinori

2015-01-01

Molecular dynamics (MD) simulations of proteins provide important information to understand their functional mechanisms, which are, however, likely to be hidden behind their complicated motions with a wide range of spatial and temporal scales. A straightforward and intuitive analysis of protein dynamics observed in MD simulation trajectories is therefore of growing significance with the large increase in both the simulation time and system size. In this study, we propose a novel description of protein motions based on the hierarchical clustering of fluctuations in the inter-atomic distances calculated from an MD trajectory, which constructs a single tree diagram, named a “Motion Tree”, to determine a set of rigid-domain pairs hierarchically along with associated inter-domain fluctuations. The method was first applied to the MD trajectory of substrate-free adenylate kinase to clarify the usefulness of the Motion Tree, which illustrated a clear-cut dynamics picture of the inter-domain motions involving the ATP/AMP lid and the core domain together with the associated amplitudes and correlations. The comparison of two Motion Trees calculated from MD simulations of ligand-free and -bound glutamine binding proteins clarified changes in inherent dynamics upon ligand binding appeared in both large domains and a small loop that stabilized ligand molecule. Another application to a huge protein, a multidrug ATP binding cassette (ABC) transporter, captured significant increases of fluctuations upon binding a drug molecule observed in both large scale inter-subunit motions and a motion localized at a transmembrane helix, which may be a trigger to the subsequent structural change from inward-open to outward-open states to transport the drug molecule. These applications demonstrated the capabilities of Motion Trees to provide an at-a-glance view of various sizes of functional motions inherent in the complicated MD trajectory. PMID:26148295

Mapping quantum-classical Liouville equation: projectors and trajectories.

PubMed

Kelly, Aaron; van Zon, Ramses; Schofield, Jeremy; Kapral, Raymond

2012-02-28

The evolution of a mixed quantum-classical system is expressed in the mapping formalism where discrete quantum states are mapped onto oscillator states, resulting in a phase space description of the quantum degrees of freedom. By defining projection operators onto the mapping states corresponding to the physical quantum states, it is shown that the mapping quantum-classical Liouville operator commutes with the projection operator so that the dynamics is confined to the physical space. It is also shown that a trajectory-based solution of this equation can be constructed that requires the simulation of an ensemble of entangled trajectories. An approximation to this evolution equation which retains only the Poisson bracket contribution to the evolution operator does admit a solution in an ensemble of independent trajectories but it is shown that this operator does not commute with the projection operators and the dynamics may take the system outside the physical space. The dynamical instabilities, utility, and domain of validity of this approximate dynamics are discussed. The effects are illustrated by simulations on several quantum systems.

Optimization of dynamic soaring maneuvers to enhance endurance of a versatile UAV

NASA Astrophysics Data System (ADS)

Mir, Imran; Maqsood, Adnan; Akhtar, Suhail

2017-06-01

Dynamic soaring is a process of acquiring energy available in atmospheric wind shears and is commonly exhibited by soaring birds to perform long distance flights. This paper aims to demonstrate a viable algorithm which can be implemented in near real time environment to formulate optimal trajectories for dynamic soaring maneuvers for a small scale Unmanned Aerial Vehicle (UAV). The objective is to harness maximum energy from atmosphere wind shear to improve loiter time for Intelligence, Surveillance and Reconnaissance (ISR) missions. Three-dimensional point-mass UAV equations of motion and linear wind gradient profile are used to model flight dynamics. Utilizing UAV states, controls, operational constraints, initial and terminal conditions that enforce a periodic flight, dynamic soaring problem is formulated as an optimal control problem. Optimized trajectories of the maneuver are subsequently generated employing pseudo spectral techniques against distant UAV performance parameters. The discussion also encompasses the requirement for generation of optimal trajectories for dynamic soaring in real time environment and the ability of the proposed algorithm for speedy solution generation. Coupled with the fact that dynamic soaring is all about immediately utilizing the available energy from the wind shear encountered, the proposed algorithm promises its viability for practical on board implementations requiring computation of trajectories in near real time.

Zero-Point Energy Constraint for Unimolecular Dissociation Reactions. Giving Trajectories Multiple Chances To Dissociate Correctly.

PubMed

Paul, Amit K; Hase, William L

2016-01-28

A zero-point energy (ZPE) constraint model is proposed for classical trajectory simulations of unimolecular decomposition and applied to CH4* → H + CH3 decomposition. With this model trajectories are not allowed to dissociate unless they have ZPE in the CH3 product. If not, they are returned to the CH4* region of phase space and, if necessary, given additional opportunities to dissociate with ZPE. The lifetime for dissociation of an individual trajectory is the time it takes to dissociate with ZPE in CH3, including multiple possible returns to CH4*. With this ZPE constraint the dissociation of CH4* is exponential in time as expected for intrinsic RRKM dynamics and the resulting rate constant is in good agreement with the harmonic quantum value of RRKM theory. In contrast, a model that discards trajectories without ZPE in the reaction products gives a CH4* → H + CH3 rate constant that agrees with the classical and not quantum RRKM value. The rate constant for the purely classical simulation indicates that anharmonicity may be important and the rate constant from the ZPE constrained classical trajectory simulation may not represent the complete anharmonicity of the RRKM quantum dynamics. The ZPE constraint model proposed here is compared with previous models for restricting ZPE flow in intramolecular dynamics, and connecting product and reactant/product quantum energy levels in chemical dynamics simulations.

Hybrid Differential Dynamic Programming with Stochastic Search

NASA Technical Reports Server (NTRS)

Aziz, Jonathan; Parker, Jeffrey; Englander, Jacob A.

2016-01-01

Differential dynamic programming (DDP) has been demonstrated as a viable approach to low-thrust trajectory optimization, namely with the recent success of NASA's Dawn mission. The Dawn trajectory was designed with the DDP-based Static/Dynamic Optimal Control algorithm used in the Mystic software.1 Another recently developed method, Hybrid Differential Dynamic Programming (HDDP),2, 3 is a variant of the standard DDP formulation that leverages both first-order and second-order state transition matrices in addition to nonlinear programming (NLP) techniques. Areas of improvement over standard DDP include constraint handling, convergence properties, continuous dynamics, and multi-phase capability. DDP is a gradient based method and will converge to a solution nearby an initial guess. In this study, monotonic basin hopping (MBH) is employed as a stochastic search method to overcome this limitation, by augmenting the HDDP algorithm for a wider search of the solution space.

Dynamic trajectory-based couch motion for improvement of radiation therapy trajectories in cranial SRT

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

MacDonald, R. Lee; Thomas, Christopher G., E-mail: Chris.Thomas@cdha.nshealth.ca; Department of Medical Physics, Nova Scotia Cancer Centre, Queen Elizabeth II Health Sciences Centre, Halifax, Nova Scotia B3H 1V7

2015-05-15

Purpose: To investigate potential improvement in external beam stereotactic radiation therapy plan quality for cranial cases using an optimized dynamic gantry and patient support couch motion trajectory, which could minimize exposure to sensitive healthy tissue. Methods: Anonymized patient anatomy and treatment plans of cranial cancer patients were used to quantify the geometric overlap between planning target volumes and organs-at-risk (OARs) based on their two-dimensional projection from source to a plane at isocenter as a function of gantry and couch angle. Published dose constraints were then used as weighting factors for the OARs to generate a map of couch-gantry coordinate space,more » indicating degree of overlap at each point in space. A couch-gantry collision space was generated by direct measurement on a linear accelerator and couch using an anthropomorphic solid-water phantom. A dynamic, fully customizable algorithm was written to generate a navigable ideal trajectory for the patient specific couch-gantry space. The advanced algorithm can be used to balance the implementation of absolute minimum values of overlap with the clinical practicality of large-scale couch motion and delivery time. Optimized cranial cancer treatment trajectories were compared to conventional treatment trajectories. Results: Comparison of optimized treatment trajectories with conventional treatment trajectories indicated an average decrease in mean dose to the OARs of 19% and an average decrease in maximum dose to the OARs of 12%. Degradation was seen for homogeneity index (6.14% ± 0.67%–5.48% ± 0.76%) and conformation number (0.82 ± 0.02–0.79 ± 0.02), but neither was statistically significant. Removal of OAR constraints from volumetric modulated arc therapy optimization reveals that reduction in dose to OARs is almost exclusively due to the optimized trajectory and not the OAR constraints. Conclusions: The authors’ study indicated that simultaneous couch and gantry motion during radiation therapy to minimize the geometrical overlap in the beams-eye-view of target volumes and the organs-at-risk can have an appreciable dose reduction to organs-at-risk.« less

Control and trajectory design of a highly flexible air vehicle with a distributed sensing architecture

NASA Astrophysics Data System (ADS)

Pachikara, Abraham James

Next generational aircraft are becoming very flexible due to efforts to reduce weight and increase aerodynamic efficiency. As a result, flight control systems and trajectories that were designed with traditional rigid body assumptions may no longer become valid. When an aircraft becomes more flexible, the shape of the aircraft can deform significantly due to the aeroservoelastic dynamics. No longer are few sensors located at the CG and elsewhere will be enough to maximize performance. Instead, a full suite of sensors will be needed all throughout the aircraft to accurately measure the complete aerodynamic distribution and dynamics. First, a parametric study will be conducted to understand how flexibility impacts both the open-loop and closed-loop dynamics of a generic micro air vehicle (MAV). Once the impact of flexibility on the MAV's aeroservoelastic dynamics is well understood, an aeroservoelastic flight controller will be designed that leverages a "Fly-By-Feel" sensor architecture. A sensor architecture will be developed that uses several sensors to estimate the MAV's full aerodynamic and inertial distribution along with inertial sensors at the CG. A modal filtering approach will be used for the relevant sensor management and to extract useful modal characteristics from the sensor data. Once that is done, a controller will be designed for maneuver tracking. Once a flight controller has been designed, a set of representative motion primitives for the MAV can be developed that model how the aircraft moves for trajectory generation. Then trajectories can be developed for the flexible vehicle. Analysis will then be conducted to understand how flexibility impacts the creation of trajectories and MAV performance metrics.

Trajectory design strategies that incorporate invariant manifolds and swingby

NASA Technical Reports Server (NTRS)

Guzman, J. J.; Cooley, D. S.; Howell, K. C.; Folta, D. C.

1998-01-01

Libration point orbits serve as excellent platforms for scientific investigations involving the Sun as well as planetary environments. Trajectory design in support of such missions is increasingly challenging as more complex missions are envisioned in the next few decades. Software tools for trajectory design in this regime must be further developed to incorporate better understanding of the solution space and, thus, improve the efficiency and expand the capabilities of current approaches. Only recently applied to trajectory design, dynamical systems theory now offers new insights into the natural dynamics associated with the multi-body problem. The goal of this effort is the blending of analysis from dynamical systems theory with the well established NASA Goddard software program SWINGBY to enhance and expand the capabilities for mission design. Basic knowledge concerning the solution space is improved as well.

MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories

PubMed Central

2014-01-01

Background Molecular Dynamics (MD) simulations of protein complexes suffer from the lack of specific tools in the analysis step. Analyses of MD trajectories of protein complexes indeed generally rely on classical measures, such as the RMSD, RMSF and gyration radius, conceived and developed for single macromolecules. As a matter of fact, instead, researchers engaged in simulating the dynamics of a protein complex are mainly interested in characterizing the conservation/variation of its biological interface. Results On these bases, herein we propose a novel approach to the analysis of MD trajectories or other conformational ensembles of protein complexes, MDcons, which uses the conservation of inter-residue contacts at the interface as a measure of the similarity between different snapshots. A "consensus contact map" is also provided, where the conservation of the different contacts is drawn in a grey scale. Finally, the interface area of the complex is monitored during the simulations. To show its utility, we used this novel approach to study two protein-protein complexes with interfaces of comparable size and both dominated by hydrophilic interactions, but having binding affinities at the extremes of the experimental range. MDcons is demonstrated to be extremely useful to analyse the MD trajectories of the investigated complexes, adding important insight into the dynamic behavior of their biological interface. Conclusions MDcons specifically allows the user to highlight and characterize the dynamics of the interface in protein complexes and can thus be used as a complementary tool for the analysis of MD simulations of both experimental and predicted structures of protein complexes. PMID:25077693

MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories.

PubMed

Abdel-Azeim, Safwat; Chermak, Edrisse; Vangone, Anna; Oliva, Romina; Cavallo, Luigi

2014-01-01

Molecular Dynamics (MD) simulations of protein complexes suffer from the lack of specific tools in the analysis step. Analyses of MD trajectories of protein complexes indeed generally rely on classical measures, such as the RMSD, RMSF and gyration radius, conceived and developed for single macromolecules. As a matter of fact, instead, researchers engaged in simulating the dynamics of a protein complex are mainly interested in characterizing the conservation/variation of its biological interface. On these bases, herein we propose a novel approach to the analysis of MD trajectories or other conformational ensembles of protein complexes, MDcons, which uses the conservation of inter-residue contacts at the interface as a measure of the similarity between different snapshots. A "consensus contact map" is also provided, where the conservation of the different contacts is drawn in a grey scale. Finally, the interface area of the complex is monitored during the simulations. To show its utility, we used this novel approach to study two protein-protein complexes with interfaces of comparable size and both dominated by hydrophilic interactions, but having binding affinities at the extremes of the experimental range. MDcons is demonstrated to be extremely useful to analyse the MD trajectories of the investigated complexes, adding important insight into the dynamic behavior of their biological interface. MDcons specifically allows the user to highlight and characterize the dynamics of the interface in protein complexes and can thus be used as a complementary tool for the analysis of MD simulations of both experimental and predicted structures of protein complexes.

Dynamic Measurement: The Crossroad of Area and Multiplication

ERIC Educational Resources Information Center

Panorkou, Nicole

2017-01-01

In this exploratory study, our goal was to engage students in dynamic experiences of area as a continuous quantity that can be measured by multiplicatively composing two linear measures (lengths), an approach we refer to as 'dynamic measurement,' or DYME. In this paper, we present the learning trajectory constructed from two cycles of teaching…

Dynamics of Self-Injurious Behaviors.

ERIC Educational Resources Information Center

Newell, Karl M.; Sprague, Robert L.; Pain, Matthew T.; Deutsch, Katherine M.; Meinhold, Patricia

1999-01-01

Self-injurious behavior was examined in a case study of head-banging by an 8-year-old girl with profound mental retardation and an autistic disorder. Trajectories of arm movements and impact forces were determined from dynamic analysis of videotapes. Cycle-to-cycle consistency in the qualitative dynamics of the limb motions and impact forces…

Motion transitions of falling plates via quasisteady aerodynamics.

PubMed

Hu, Ruifeng; Wang, Lifeng

2014-07-01

In this paper, we study the dynamics of freely falling plates based on the Kirchhoff equation and the quasisteady aerodynamic model. Motion transitions among fluttering, tumbling along a cusp-like trajectory, irregular, and tumbling along a straight trajectory are obtained by solving the dynamical equations. Phase diagrams spanning between the nondimensional moment of inertia and aerodynamic coefficients or aspect ratio are built to identify regimes for these falling styles. We also investigate the stability of fixed points and bifurcation scenarios. It is found that the transitions are all heteroclinic bifurcations and the influence of the fixed-point stability is local.

Emulation of rocket trajectory based on a six degree of freedom model

NASA Astrophysics Data System (ADS)

Zhang, Wenpeng; Li, Fan; Wu, Zhong; Li, Rong

2008-10-01

In this paper, a 6-DOF motion mathematical model is discussed. It is consisted of body dynamics and kinematics block, aero dynamics block and atmosphere block. Based on Simulink, the whole rocket trajectory mathematical model is developed. In this model, dynamic system simulation becomes easy and visual. The method of modularization design gives more convenience to transplant. At last, relevant data is given to be validated by Monte Carlo means. Simulation results show that the flight trajectory of the rocket can be simulated preferably by means of this model, and it also supplies a necessary simulating tool for the development of control system.

Trajectories of Depressive Symptoms Among a Population of HIV-Infected Men and Women in Routine HIV Care in the United States.

PubMed

Bengtson, Angela M; Pence, Brian W; Powers, Kimberly A; Weaver, Mark A; Mimiaga, Matthew J; Gaynes, Bradley N; O'Cleirigh, Conall; Christopoulos, Katerina; Christopher Mathews, W; Crane, Heidi; Mugavero, Michael

2018-04-06

Depressive symptoms vary in severity and chronicity. We used group-based trajectory models to describe trajectories of depressive symptoms (measured using the Patient Health Questionnaire-9) and predictors of trajectory group membership among 1493 HIV-infected men (84%) and 292 HIV-infected women (16%). At baseline, 29% of women and 26% of men had depressive symptoms. Over a median of 30 months of follow-up, we identified four depressive symptom trajectories for women (labeled "low" [experienced by 56% of women], "mild/moderate" [24%], "improving" [14%], and "severe" [6%]) and five for men ("low" [61%], "mild/moderate" [14%], "rebounding" [5%], "improving" [13%], and "severe" [7%]). Baseline antidepressant prescription, panic symptoms, and prior mental health diagnoses were associated with more severe or dynamic depressive symptom trajectories. Nearly a quarter of participants experienced some depressive symptoms, highlighting the need for improved depression management. Addressing more severe or dynamic depressive symptom trajectories may require interventions that additionally address mental health comorbidities.

Convergence analysis of sliding mode trajectories in multi-objective neural networks learning.

PubMed

Costa, Marcelo Azevedo; Braga, Antonio Padua; de Menezes, Benjamin Rodrigues

2012-09-01

The Pareto-optimality concept is used in this paper in order to represent a constrained set of solutions that are able to trade-off the two main objective functions involved in neural networks supervised learning: data-set error and network complexity. The neural network is described as a dynamic system having error and complexity as its state variables and learning is presented as a process of controlling a learning trajectory in the resulting state space. In order to control the trajectories, sliding mode dynamics is imposed to the network. It is shown that arbitrary learning trajectories can be achieved by maintaining the sliding mode gains within their convergence intervals. Formal proofs of convergence conditions are therefore presented. The concept of trajectory learning presented in this paper goes further beyond the selection of a final state in the Pareto set, since it can be reached through different trajectories and states in the trajectory can be assessed individually against an additional objective function. Copyright © 2012 Elsevier Ltd. All rights reserved.

Optimization of Insertion Cost for Transfer Trajectories to Libration Point Orbits

NASA Technical Reports Server (NTRS)

Howell, K. C.; Wilson, R. S.; Lo, M. W.

1999-01-01

The objective of this work is the development of efficient techniques to optimize the cost associated with transfer trajectories to libration point orbits in the Sun-Earth-Moon four body problem, that may include lunar gravity assists. Initially, dynamical systems theory is used to determine invariant manifolds associated with the desired libration point orbit. These manifolds are employed to produce an initial approximation to the transfer trajectory. Specific trajectory requirements such as, transfer injection constraints, inclusion of phasing loops, and targeting of a specified state on the manifold are then incorporated into the design of the transfer trajectory. A two level differential corrections process is used to produce a fully continuous trajectory that satisfies the design constraints, and includes appropriate lunar and solar gravitational models. Based on this methodology, and using the manifold structure from dynamical systems theory, a technique is presented to optimize the cost associated with insertion onto a specified libration point orbit.

Principles and Algorithms for Natural and Engineered Systems

DTIC Science & Technology

2014-12-16

Toolbox for MATLAB into C/C++. The target for the calibration is a 2D black and white checkerboard pattern. In a typical set of calibration images...errors the dynamic clusters typically contain entangled trajectories i.e. links form between two different dynamic clusters (see Figures 8 and 9). To...all dynamic clusters is L, and the average number of trajectories a given dynamic cluster are entangled with for its entire length is known as the

Utilization of UARS Data in Validation of Photochemical and Dynamical Mechanism in Stratospheric Models

NASA Technical Reports Server (NTRS)

Rodriquez, Jose M.; Hu, Wenjie; Ko, Malcolm K. W.

1995-01-01

We proposed model-data intercomparison studies for UARS data. In the past three months, we have been working on constructing analysis tools to diagnose the UARS data. The 'Trajectory mapping' technique, which was developed by Morris (1994), is adaptable to generate synoptic maps of trace gas data from asynoptic observations. An in-house trajectory model (kinematic methods following Merrill et al., 1986 and Pickering et al., 1994) has been developed in AER under contract with NASA/ACMAP and the trajectory mapping tool has been applied to analyze UARS measurement.

Quantifying vocal fatigue recovery: Dynamic vocal recovery trajectories after a vocal loading exercise

PubMed Central

Hunter, Eric J.; Titze, Ingo R.

2012-01-01

Objectives To quantify the recovery of voice following a 2-hour vocal loading exercise (oral reading). Methods 86 adult participants tracked their voice recovery using short vocal tasks and perceptual ratings after an initial vocal loading exercise and for the following two days. Results Short-term recovery was apparent with 90% recovery within 4-6 hours and full recovery at 12-18 hours. Recovery was shown to be similar to a dermal wound healing trajectory. Conclusions The new recovery trajectory highlighted by the vocal loading exercise in the current study is called a vocal recovery trajectory. By comparing vocal fatigue to dermal wound healing, this trajectory is parallel to a chronic wound healing trajectory (as opposed to an acute wound healing trajectory). This parallel suggests that vocal fatigue from the daily use of the voice could be treated as a chronic wound, with the healing and repair mechanisms in a state of constant repair. In addition, there is likely a vocal fatigue threshold at which point the level of tissue damage would shift the chronic healing trajectory to an acute healing trajectory. PMID:19663377

WE-AB-209-06: Dynamic Collimator Trajectory Algorithm for Use in VMAT Treatment Deliveries

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

MacDonald, L; Thomas, C; Syme, A

2016-06-15

Purpose: To develop advanced dynamic collimator positioning algorithms for optimal beam’s-eye-view (BEV) fitting of targets in VMAT procedures, including multiple metastases stereotactic radiosurgery procedures. Methods: A trajectory algorithm was developed, which can dynamically modify the angle of the collimator as a function of VMAT control point to provide optimized collimation of target volume(s). Central to this algorithm is a concept denoted “whitespace”, defined as area within the jaw-defined BEV field, outside of the PTV, and not shielded by the MLC when fit to the PTV. Calculating whitespace at all collimator angles and every control point, a two-dimensional topographical map depictingmore » the tightness-of-fit of the MLC was generated. A variety of novel searching algorithms identified a number of candidate trajectories of continuous collimator motion. Ranking these candidate trajectories according to their accrued whitespace value produced an optimal solution for navigation of this map. Results: All trajectories were normalized to minimum possible (i.e. calculated without consideration of collimator motion constraints) accrued whitespace. On an acoustic neuroma case, a random walk algorithm generated a trajectory with 151% whitespace; random walk including a mandatory anchor point improved this to 148%; gradient search produced a trajectory with 137%; and bi-directional gradient search generated a trajectory with 130% whitespace. For comparison, a fixed collimator angle of 30° and 330° accumulated 272% and 228% of whitespace, respectively. The algorithm was tested on a clinical case with two metastases (single isocentre) and identified collimator angles that allow for simultaneous irradiation of the PTVs while minimizing normal tissue irradiation. Conclusion: Dynamic collimator trajectories have the potential to improve VMAT deliveries through increased efficiency and reduced normal tissue dose, especially in treatment of multiple cranial metastases, without significant safety concerns that hinder immediate clinical implementation.« less

Automating Initial Guess Generation for High Fidelity Trajectory Optimization Tools

NASA Technical Reports Server (NTRS)

Villa, Benjamin; Lantoine, Gregory; Sims, Jon; Whiffen, Gregory

2013-01-01

Many academic studies in spaceflight dynamics rely on simplified dynamical models, such as restricted three-body models or averaged forms of the equations of motion of an orbiter. In practice, the end result of these preliminary orbit studies needs to be transformed into more realistic models, in particular to generate good initial guesses for high-fidelity trajectory optimization tools like Mystic. This paper reviews and extends some of the approaches used in the literature to perform such a task, and explores the inherent trade-offs of such a transformation with a view toward automating it for the case of ballistic arcs. Sample test cases in the libration point regimes and small body orbiter transfers are presented.

Comparison of Multiple Molecular Dynamics Trajectories Calculated for the Drug-Resistant HIV-1 Integrase T66I/M154I Catalytic Domain

PubMed Central

Brigo, Alessandro; Lee, Keun Woo; Iurcu Mustata, Gabriela; Briggs, James M.

2005-01-01

HIV-1 integrase (IN) is an essential enzyme for the viral replication and an interesting target for the design of new pharmaceuticals for multidrug therapy of AIDS. Single and multiple mutations of IN at residues T66, S153, or M154 confer degrees of resistance to several inhibitors that prevent the enzyme from performing its normal strand transfer activity. Four different conformations of IN were chosen from a prior molecular dynamics (MD) simulation on the modeled IN T66I/M154I catalytic core domain as starting points for additional MD studies. The aim of this article is to understand the dynamic features that may play roles in the catalytic activity of the double mutant enzyme in the absence of any inhibitor. Moreover, we want to verify the influence of using different starting points on the MD trajectories and associated dynamical properties. By comparison of the trajectories obtained from these MD simulations we have demonstrated that the starting point does not affect the conformational space explored by this protein and that the time of the simulation is long enough to achieve convergence for this system. PMID:15764656

Buckling Instabilities and Complex Dynamics in a Model of Uniflagellar Bacterial Locomotion

NASA Astrophysics Data System (ADS)

Nguyen, Frank; Graham, Michael

2015-11-01

Locomotion of microorganisms at low Reynolds number is a long studied problem. Of particular interest are organisms using a single flagellum to undergo a wide range of motions: pushing, pulling, and tumbling or flicking. Recent experiments have connected the stability of the hook protein, connecting cell motor and flagellum, to deviations from typical straight swimming trajectories. We seek physical explanations to these phenomena by developing a computationally inexpensive, rigid-body dynamic model of a uniflagellated organism with a flexible hook connection that captures the fundamental dynamics, kinematics, and configurations. Furthermore, the model addresses the effects of hook loading and geometry on the stability of the system. Simulations with low hook flexibility produce the classic straight trajectory, but a large flexibility produces helical trajectories, leading to directional changes when coupled with transient hook stiffening. Minima for critical flexibilities are found in certain subsets of parameter space, implying preferred geometries for certain swimming dynamics. The model verifies proposed mechanisms for swimming in various modes and highlights the role of flexibility in the biology of real organisms and the engineering of artificial microswimmers. This work was supported by NSF grant PHY-1304942.

Analysis of Petal Rotation Trajectory Characteristics

NASA Technical Reports Server (NTRS)

Anderson, Rodney L.; Campagnola, Stefano; Buffington, Brent B.

2014-01-01

In this study, the characteristics of petal rotation trajectories are explored in both the two-body and circular restricted three-body problem (CRTBP) models. Petal rotation trajectories alternate long and short resonances of different kinds to rotate the line of apsides. They are typically computed using the patched conic model, and they are used in a number of different missions and mission concepts including Cassini, JUICE, and Europa mission concepts. Petal rotation trajectories are first analyzed here using the patched conic model to quantify their characteristics and search for cases with fast rotation of the line of apsides. When they are computed in the CRTBP, they are unstable periodic orbits with corresponding stable and unstable manifolds. The characteristics of these orbits are explored from a dynamical systems perspective in the second phase of the study.

Dynamics of alkali ions-neutral molecules reactions: Radio frequency-guided beam experimental cross-sections and direct quasiclassical trajectory studies

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

Aguilar, J.; Andres, J. de; Lucas, J. M.

2012-11-27

Different reactive processes taking place in collisions between alkali ions and neutral i-C{sub 3}H{sub 7}Cl molecules in the low (center of mass frame) energy range have been studied using an octopole radiofrequency guided-ion-beam apparatus developed in our laboratory. Cross-section energy dependences for all these reactions have been obtained in absolute units. Ab initio electronic structure calculations for those colliding systems evolving on the ground single potential surface have given relevant information on the main topological features of the surfaces. For some of the reactions a dynamic study by 'on the fly' trajectories has complemented the available experimental and electronic structuremore » information.« less

Single particle tracking of internalized metallic nanoparticles reveals heterogeneous directed motion after clathrin dependent endocytosis in mouse chromaffin cells

NASA Astrophysics Data System (ADS)

Gabriel, Manuela; Moya-Díaz, José; Gallo, Luciana I.; Marengo, Fernando D.; Estrada, Laura C.

2018-01-01

Most accepted single particle tracking methods are able to obtain high-resolution trajectories for relatively short periods of time. In this work we apply a straightforward combination of single-particle tracking microscopy and metallic nanoparticles internalization on mouse chromaffin cells to unveil the intracellular trafficking mechanism of metallic-nanoparticle-loaded vesicles (MNP-V) complexes after clathrin dependent endocytosis. We found that directed transport is the major route of MNP-Vs intracellular trafficking after stimulation (92.6% of the trajectories measured). We then studied the MNP-V speed at each point along the trajectory, and found that the application of a second depolarization stimulus during the tracking provokes an increase in the percentage of low-speed trajectory points in parallel with a decrease in the number of high-speed trajectory points. This result suggests that stimulation may facilitate the compartmentalization of internalized MNPs in a more restricted location such as was already demonstrated in neuronal and neuroendocrine cells (Bronfman et al 2003 J. Neurosci. 23 3209-20). Although further experiments will be required to address the mechanisms underlying this transport dynamics, our studies provide quantitative evidence of the heterogeneous behavior of vesicles mobility after endocytosis in chromaffin cells highlighting the potential of MNPs as alternative labels in optical microscopy to provide new insights into the vesicles dynamics in a wide variety of cellular environments.

Exploring Regularities and Dynamic Systems in L2 Development

ERIC Educational Resources Information Center

Lenzing, Anke

2015-01-01

This article focuses on a theoretical and empirical exploration of developmental trajectories and individual learner variation in second language (L2) acquisition. Taking a processability perspective, I view learner language as a dynamic system that includes predictable universal developmental trajectories as well as individual learner variation,…

Folding of a helix is critically stabilized by polarization of backbone hydrogen bonds: study in explicit water.

PubMed

Duan, Li L; Gao, Ya; Mei, Ye; Zhang, Qing G; Tang, Bo; Zhang, John Z H

2012-03-15

Multiple single-trajectory molecular dynamics (MD) simulation at room temperature (300 K) in explicit water was carried out to study the folding dynamics of an α-helix (PDB 2I9M ) using a polarized charge scheme that includes electronic polarization of backbone hydrogen bonds. Starting from an extended conformation, the 17-residue peptide was successfully folded into the native structure (α-helix) between 80 and 130 ns with a root-mean-square deviation of ~1.0 Å. Analysis of the time-dependent trajectories revealed that helix formation of the peptide started at the terminals and progressed toward the center of the peptide. For comparison, MD trajectories generated under various versions of standard AMBER force fields failed to show any significant or stable helix formation in our simulation. Our result shows clear evidence that the electronic polarization of backbone hydrogen bonds energetically stabilizes the helix formation and is critical to the stable folding of the short helix structure. © 2012 American Chemical Society

Right- and left-handed three-helix proteins. II. Similarity and differences in mechanical unfolding of proteins.

PubMed

Glyakina, Anna V; Likhachev, Ilya V; Balabaev, Nikolay K; Galzitskaya, Oxana V

2014-01-01

Here, we study mechanical properties of eight 3-helix proteins (four right-handed and four left-handed ones), which are similar in size under stretching at a constant speed and at a constant force on the atomic level using molecular dynamics simulations. The analysis of 256 trajectories from molecular dynamics simulations with explicit water showed that the right-handed three-helix domains are more mechanically resistant than the left-handed domains. Such results are observed at different extension velocities studied (192 trajectories obtained at the following conditions: v = 0.1, 0.05, and 0.01 Å ps(-1) , T = 300 K) and under constant stretching force (64 trajectories, F = 800 pN, T = 300 K). We can explain this by the fact, at least in part, that the right-handed domains have a larger number of contacts per residue and the radius of cross section than the left-handed domains. Copyright © 2013 Wiley Periodicals, Inc.

Analysis of Video-Based Microscopic Particle Trajectories Using Kalman Filtering

PubMed Central

Wu, Pei-Hsun; Agarwal, Ashutosh; Hess, Henry; Khargonekar, Pramod P.; Tseng, Yiider

2010-01-01

Abstract The fidelity of the trajectories obtained from video-based particle tracking determines the success of a variety of biophysical techniques, including in situ single cell particle tracking and in vitro motility assays. However, the image acquisition process is complicated by system noise, which causes positioning error in the trajectories derived from image analysis. Here, we explore the possibility of reducing the positioning error by the application of a Kalman filter, a powerful algorithm to estimate the state of a linear dynamic system from noisy measurements. We show that the optimal Kalman filter parameters can be determined in an appropriate experimental setting, and that the Kalman filter can markedly reduce the positioning error while retaining the intrinsic fluctuations of the dynamic process. We believe the Kalman filter can potentially serve as a powerful tool to infer a trajectory of ultra-high fidelity from noisy images, revealing the details of dynamic cellular processes. PMID:20550894

Cellular dynamical mechanisms for encoding the time and place of events along spatiotemporal trajectories in episodic memory.

PubMed

Hasselmo, Michael E; Giocomo, Lisa M; Brandon, Mark P; Yoshida, Motoharu

2010-12-31

Understanding the mechanisms of episodic memory requires linking behavioral data and lesion effects to data on the dynamics of cellular membrane potentials and population interactions within brain regions. Linking behavior to specific membrane channels and neurochemicals has implications for therapeutic applications. Lesions of the hippocampus, entorhinal cortex and subcortical nuclei impair episodic memory function in humans and animals, and unit recording data from these regions in behaving animals indicate episodic memory processes. Intracellular recording in these regions demonstrates specific cellular properties including resonance, membrane potential oscillations and bistable persistent spiking that could underlie the encoding and retrieval of episodic trajectories. A model presented here shows how intrinsic dynamical properties of neurons could mediate the encoding of episodic memories as complex spatiotemporal trajectories. The dynamics of neurons allow encoding and retrieval of unique episodic trajectories in multiple continuous dimensions including temporal intervals, personal location, the spatial coordinates and sensory features of perceived objects and generated actions, and associations between these elements. The model also addresses how cellular dynamics could underlie unit firing data suggesting mechanisms for coding continuous dimensions of space, time, sensation and action. Copyright © 2010 Elsevier B.V. All rights reserved.

Cellular dynamical mechanisms for encoding the time and place of events along spatiotemporal trajectories in episodic memory

PubMed Central

Hasselmo, Michael E.; Giocomo, Lisa M.; Yoshida, Motoharu

2010-01-01

Understanding the mechanisms of episodic memory requires linking behavioural data and lesion effects to data on the dynamics of cellular membrane potentials and population interactions within these brain regions. Linking behavior to specific membrane channels and neurochemicals has implications for therapeutic applications. Lesions of the hippocampus, entorhinal cortex and subcortical nuclei impair episodic memory function in humans and animals, and unit recording data from these regions in behaving animals indicate episodic memory processes. Intracellular recording in these regions demonstrates specific cellular properties including resonance, membrane potential oscillations and bistable persistent spiking that could underlie the encoding and retrieval of episodic trajectories. A model presented here shows how intrinsic dynamical properties of neurons could mediate the encoding of episodic memories as complex spatiotemporal trajectories. The dynamics of neurons allow encoding and retrieval of unique episodic trajectories in multiple continuous dimensions including temporal intervals, personal location, the spatial coordinates and sensory features of perceived objects and generated actions, and associations between these elements. The model also addresses how cellular dynamics could underlie unit firing data suggesting mechanisms for coding continuous dimensions of space, time, sensation and action. PMID:20018213

A phenomenological approach to modeling chemical dynamics in nonlinear and two-dimensional spectroscopy.

PubMed

Ramasesha, Krupa; De Marco, Luigi; Horning, Andrew D; Mandal, Aritra; Tokmakoff, Andrei

2012-04-07

We present an approach for calculating nonlinear spectroscopic observables, which overcomes the approximations inherent to current phenomenological models without requiring the computational cost of performing molecular dynamics simulations. The trajectory mapping method uses the semi-classical approximation to linear and nonlinear response functions, and calculates spectra from trajectories of the system's transition frequencies and transition dipole moments. It rests on identifying dynamical variables important to the problem, treating the dynamics of these variables stochastically, and then generating correlated trajectories of spectroscopic quantities by mapping from the dynamical variables. This approach allows one to describe non-Gaussian dynamics, correlated dynamics between variables of the system, and nonlinear relationships between spectroscopic variables of the system and the bath such as non-Condon effects. We illustrate the approach by applying it to three examples that are often not adequately treated by existing analytical models--the non-Condon effect in the nonlinear infrared spectra of water, non-Gaussian dynamics inherent to strongly hydrogen bonded systems, and chemical exchange processes in barrier crossing reactions. The methods described are generally applicable to nonlinear spectroscopy throughout the optical, infrared and terahertz regions.

Trajectory optimization for the National aerospace plane

NASA Technical Reports Server (NTRS)

Lu, Ping

1993-01-01

While continuing the application of the inverse dynamics approach in obtaining the optimal numerical solutions, the research during the past six months has been focused on the formulation and derivation of closed-form solutions for constrained hypersonic flight trajectories. Since it was found in the research of the first year that a dominant portion of the optimal ascent trajectory of the aerospace plane is constrained by dynamic pressure and heating constraints, the application of the analytical solutions significantly enhances the efficiency in trajectory optimization, provides a better insight to understanding of the trajectory and conceivably has great potential in guidance of the vehicle. Work of this period has been reported in four technical papers. Two of the papers were presented in the AIAA Guidance, Navigation, and Control Conference (Hilton Head, SC, August, 1992) and Fourth International Aerospace Planes Conference (Orlando, FL, December, 1992). The other two papers have been accepted for publication by Journal of Guidance, Control, and Dynamics, and will appear in 1993. This report briefly summarizes the work done in the past six months and work currently underway.

Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

NASA Astrophysics Data System (ADS)

Sato, Shunsuke A.; Kelly, Aaron; Rubio, Angel

2018-04-01

We introduce a simple ansatz for the wave function of a many-body system based on coupled forward and backward propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in electron-phonon systems. The time evolution of the system is obtained from the Euler-Lagrange variational principle, and we show that this ansatz yields Ehrenfest mean-field theory in the limit that the forward and backward trajectories are orthogonal, and in the limit that they coalesce. We investigate accuracy and performance of this method by simulating electronic relaxation in the spin-boson model and the Holstein model. Although this method involves only pairs of semiclassical trajectories, it shows a substantial improvement over mean-field theory, capturing quantum coherence of nuclear dynamics as well as electron-nuclear correlations. This improvement is particularly evident in nonadiabatic systems, where the accuracy of this coupled trajectory method extends well beyond the perturbative electron-phonon coupling regime. This approach thus provides an attractive route forward to the ab initio description of relaxation processes, such as thermalization, in condensed phase systems.

Estimation of Center of Mass Trajectory using Wearable Sensors during Golf Swing

PubMed Central

Najafi, Bijan; Lee-Eng, Jacqueline; Wrobel, James S.; Goebel, Ruben

2015-01-01

This study suggests a wearable sensor technology to estimate center of mass (CoM) trajectory during a golf swing. Groups of 3, 4, and 18 participants were recruited, respectively, for the purpose of three validation studies. Study 1 examined the accuracy of the system to estimate a 3D body segment angle compared to a camera-based motion analyzer (Vicon®). Study 2 assessed the accuracy of three simplified CoM trajectory models. Finally, Study 3 assessed the accuracy of the proposed CoM model during multiple golf swings. A relatively high agreement was observed between wearable sensors and the reference (Vicon®) for angle measurement (r > 0.99, random error <1.2° (1.5%) for anterior-posterior; <0.9° (2%) for medial-lateral; and <3.6° (2.5%) for internal-external direction). The two-link model yielded a better agreement with the reference system compared to one-link model (r > 0.93 v. r = 0.52, respectively). On the same note, the proposed two-link model estimated CoM trajectory during golf swing with relatively good accuracy (r > 0.9, A-P random error <1cm (7.7%) and <2cm (10.4%) for M-L). The proposed system appears to accurately quantify the kinematics of CoM trajectory as a surrogate of dynamic postural control during an athlete’s movement and its portability, makes it feasible to fit the competitive environment without restricting surface type. Key points This study demonstrates that wearable technology based on inertial sensors are accurate to estimate center of mass trajectory in complex athletic task (e.g., golf swing) This study suggests that two-link model of human body provides optimum tradeoff between accuracy and minimum number of sensor module for estimation of center of mass trajectory in particular during fast movements. Wearable technologies based on inertial sensors are viable option for assessing dynamic postural control in complex task outside of gait laboratory and constraints of cameras, surface, and base of support. PMID:25983585

Dynamic analysis of a parasite population model.

PubMed

Sibona, G J; Condat, C A

2002-03-01

We study the dynamics of a model that describes the competitive interaction between an invading species (a parasite) and its antibodies in an living being. This model was recently used to examine the dynamical competition between Tripanosoma cruzi and its antibodies during the acute phase of Chagas' disease. Depending on the antibody properties, the model yields three types of outcomes, corresponding, respectively, to healing, chronic disease, and host death. Here, we study the dynamics of the parasite-antibody interaction with the help of simulations, obtaining phase trajectories and phase diagrams for the system. We show that, under certain conditions, the size of the parasite inoculation can be crucial for the infection outcome and that a retardation in the stimulated production of an antibody species may result in the parasite gaining a definitive advantage. We also find a criterion for the relative sizes of the parameters that are required if parasite-generated decoys are indeed to help the invasion. Decoys may also induce a qualitatively different outcome: a limit cycle for the antibody-parasite population phase trajectories.

Dynamic analysis of a parasite population model

NASA Astrophysics Data System (ADS)

Sibona, G. J.; Condat, C. A.

2002-03-01

We study the dynamics of a model that describes the competitive interaction between an invading species (a parasite) and its antibodies in an living being. This model was recently used to examine the dynamical competition between Tripanosoma cruzi and its antibodies during the acute phase of Chagas' disease. Depending on the antibody properties, the model yields three types of outcomes, corresponding, respectively, to healing, chronic disease, and host death. Here, we study the dynamics of the parasite-antibody interaction with the help of simulations, obtaining phase trajectories and phase diagrams for the system. We show that, under certain conditions, the size of the parasite inoculation can be crucial for the infection outcome and that a retardation in the stimulated production of an antibody species may result in the parasite gaining a definitive advantage. We also find a criterion for the relative sizes of the parameters that are required if parasite-generated decoys are indeed to help the invasion. Decoys may also induce a qualitatively different outcome: a limit cycle for the antibody-parasite population phase trajectories.

Post-Flight Assessment of Low Density Supersonic Decelerator Flight Dynamics Test 2 Simulation

NASA Technical Reports Server (NTRS)

Dutta, Soumyo; Bowes, Angela L.; White, Joseph P.; Striepe, Scott A.; Queen, Eric M.; O'Farrel, Clara; Ivanov, Mark C.

2016-01-01

NASA's Low Density Supersonic Decelerator (LDSD) project conducted its second Supersonic Flight Dynamics Test (SFDT-2) on June 8, 2015. The Program to Optimize Simulated Trajectories II (POST2) was one of the flight dynamics tools used to simulate and predict the flight performance and was a major tool used in the post-flight assessment of the flight trajectory. This paper compares the simulation predictions with the reconstructed trajectory. Additionally, off-nominal conditions seen during flight are modeled in the simulation to reconcile the predictions with flight data. These analyses are beneficial to characterize the results of the flight test and to improve the simulation and targeting of the subsequent LDSD flights.

Low-Thrust Many-Revolution Trajectory Optimization via Differential Dynamic Programming and a Sundman Transformation

NASA Astrophysics Data System (ADS)

Aziz, Jonathan D.; Parker, Jeffrey S.; Scheeres, Daniel J.; Englander, Jacob A.

2018-01-01

Low-thrust trajectories about planetary bodies characteristically span a high count of orbital revolutions. Directing the thrust vector over many revolutions presents a challenging optimization problem for any conventional strategy. This paper demonstrates the tractability of low-thrust trajectory optimization about planetary bodies by applying a Sundman transformation to change the independent variable of the spacecraft equations of motion to an orbit angle and performing the optimization with differential dynamic programming. Fuel-optimal geocentric transfers are computed with the transfer duration extended up to 2000 revolutions. The flexibility of the approach to higher fidelity dynamics is shown with Earth's J 2 perturbation and lunar gravity included for a 500 revolution transfer.

Mystic: Implementation of the Static Dynamic Optimal Control Algorithm for High-Fidelity, Low-Thrust Trajectory Design

NASA Technical Reports Server (NTRS)

Whiffen, Gregory J.

2006-01-01

Mystic software is designed to compute, analyze, and visualize optimal high-fidelity, low-thrust trajectories, The software can be used to analyze inter-planetary, planetocentric, and combination trajectories, Mystic also provides utilities to assist in the operation and navigation of low-thrust spacecraft. Mystic will be used to design and navigate the NASA's Dawn Discovery mission to orbit the two largest asteroids, The underlying optimization algorithm used in the Mystic software is called Static/Dynamic Optimal Control (SDC). SDC is a nonlinear optimal control method designed to optimize both 'static variables' (parameters) and dynamic variables (functions of time) simultaneously. SDC is a general nonlinear optimal control algorithm based on Bellman's principal.

Low-Thrust Many-Revolution Trajectory Optimization via Differential Dynamic Programming and a Sundman Transformation

NASA Astrophysics Data System (ADS)

Aziz, Jonathan D.; Parker, Jeffrey S.; Scheeres, Daniel J.; Englander, Jacob A.

2018-06-01

Low-thrust trajectories about planetary bodies characteristically span a high count of orbital revolutions. Directing the thrust vector over many revolutions presents a challenging optimization problem for any conventional strategy. This paper demonstrates the tractability of low-thrust trajectory optimization about planetary bodies by applying a Sundman transformation to change the independent variable of the spacecraft equations of motion to an orbit angle and performing the optimization with differential dynamic programming. Fuel-optimal geocentric transfers are computed with the transfer duration extended up to 2000 revolutions. The flexibility of the approach to higher fidelity dynamics is shown with Earth's J 2 perturbation and lunar gravity included for a 500 revolution transfer.

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.

The role of invariant manifolds in lowthrust trajectory design (part III)

NASA Technical Reports Server (NTRS)

Lo, Martin W.; Anderson, Rodney L.; Lam, Try; Whiffen, Greg

2006-01-01

This paper is the third in a series to explore the role of invariant manifolds in the design of low thrust trajectories. In previous papers, we analyzed an impulsive thrust resonant gravity assist flyby trajectory to capture into Europa orbit using the invariant manifolds of unstable resonant periodic orbits and libration orbits. The energy savings provided by the gravity assist may be interpreted dynamically as the result of a finite number of intersecting invariant manifolds. In this paper we demonstrate that the same dynamics is at work for low thrust trajectories with resonant flybys and low energy capture. However, in this case, the flybys and capture are effected by continuous families of intersecting invariant manifolds.

Sequential memory: Binding dynamics

NASA Astrophysics Data System (ADS)

Afraimovich, Valentin; Gong, Xue; Rabinovich, Mikhail

2015-10-01

Temporal order memories are critical for everyday animal and human functioning. Experiments and our own experience show that the binding or association of various features of an event together and the maintaining of multimodality events in sequential order are the key components of any sequential memories—episodic, semantic, working, etc. We study a robustness of binding sequential dynamics based on our previously introduced model in the form of generalized Lotka-Volterra equations. In the phase space of the model, there exists a multi-dimensional binding heteroclinic network consisting of saddle equilibrium points and heteroclinic trajectories joining them. We prove here the robustness of the binding sequential dynamics, i.e., the feasibility phenomenon for coupled heteroclinic networks: for each collection of successive heteroclinic trajectories inside the unified networks, there is an open set of initial points such that the trajectory going through each of them follows the prescribed collection staying in a small neighborhood of it. We show also that the symbolic complexity function of the system restricted to this neighborhood is a polynomial of degree L - 1, where L is the number of modalities.

Sequential memory: Binding dynamics.

PubMed

Afraimovich, Valentin; Gong, Xue; Rabinovich, Mikhail

2015-10-01

Temporal order memories are critical for everyday animal and human functioning. Experiments and our own experience show that the binding or association of various features of an event together and the maintaining of multimodality events in sequential order are the key components of any sequential memories-episodic, semantic, working, etc. We study a robustness of binding sequential dynamics based on our previously introduced model in the form of generalized Lotka-Volterra equations. In the phase space of the model, there exists a multi-dimensional binding heteroclinic network consisting of saddle equilibrium points and heteroclinic trajectories joining them. We prove here the robustness of the binding sequential dynamics, i.e., the feasibility phenomenon for coupled heteroclinic networks: for each collection of successive heteroclinic trajectories inside the unified networks, there is an open set of initial points such that the trajectory going through each of them follows the prescribed collection staying in a small neighborhood of it. We show also that the symbolic complexity function of the system restricted to this neighborhood is a polynomial of degree L - 1, where L is the number of modalities.

Brownian motion of a circle swimmer in a harmonic trap

NASA Astrophysics Data System (ADS)

Jahanshahi, Soudeh; Löwen, Hartmut; ten Hagen, Borge

2017-02-01

We study the dynamics of a Brownian circle swimmer with a time-dependent self-propulsion velocity in an external temporally varying harmonic potential. For several situations, the noise-free swimming paths, the noise-averaged mean trajectories, and the mean-square displacements are calculated analytically or by computer simulation. Based on our results, we discuss optimal swimming strategies in order to explore a maximum spatial range around the trap center. In particular, we find a resonance situation for the maximum escape distance as a function of the various frequencies in the system. Moreover, the influence of the Brownian noise is analyzed by comparing noise-free trajectories at zero temperature with the corresponding noise-averaged trajectories at finite temperature. The latter reveal various complex self-similar spiral or rosette-like patterns. Our predictions can be tested in experiments on artificial and biological microswimmers under dynamical external confinement.

Committor of elementary reactions on multistate systems

NASA Astrophysics Data System (ADS)

Király, Péter; Kiss, Dóra Judit; Tóth, Gergely

2018-04-01

In our study, we extend the committor concept on multi-minima systems, where more than one reaction may proceed, but the feasible data evaluation needs the projection onto partial reactions. The elementary reaction committor and the corresponding probability density of the reactive trajectories are defined and calculated on a three-hole two-dimensional model system explored by single-particle Langevin dynamics. We propose a method to visualize more elementary reaction committor functions or probability densities of reactive trajectories on a single plot that helps to identify the most important reaction channels and the nonreactive domains simultaneously. We suggest a weighting for the energy-committor plots that correctly shows the limits of both the minimal energy path and the average energy concepts. The methods also performed well on the analysis of molecular dynamics trajectories of 2-chlorobutane, where an elementary reaction committor, the probability densities, the potential energy/committor, and the free-energy/committor curves are presented.

Nonparametric variational optimization of reaction coordinates

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

Banushkina, Polina V.; Krivov, Sergei V., E-mail: s.krivov@leeds.ac.uk

State of the art realistic simulations of complex atomic processes commonly produce trajectories of large size, making the development of automated analysis tools very important. A popular approach aimed at extracting dynamical information consists of projecting these trajectories into optimally selected reaction coordinates or collective variables. For equilibrium dynamics between any two boundary states, the committor function also known as the folding probability in protein folding studies is often considered as the optimal coordinate. To determine it, one selects a functional form with many parameters and trains it on the trajectories using various criteria. A major problem with such anmore » approach is that a poor initial choice of the functional form may lead to sub-optimal results. Here, we describe an approach which allows one to optimize the reaction coordinate without selecting its functional form and thus avoiding this source of error.« less

Spotting the difference in molecular dynamics simulations of biomolecules

NASA Astrophysics Data System (ADS)

Sakuraba, Shun; Kono, Hidetoshi

2016-08-01

Comparing two trajectories from molecular simulations conducted under different conditions is not a trivial task. In this study, we apply a method called Linear Discriminant Analysis with ITERative procedure (LDA-ITER) to compare two molecular simulation results by finding the appropriate projection vectors. Because LDA-ITER attempts to determine a projection such that the projections of the two trajectories do not overlap, the comparison does not suffer from a strong anisotropy, which is an issue in protein dynamics. LDA-ITER is applied to two test cases: the T4 lysozyme protein simulation with or without a point mutation and the allosteric protein PDZ2 domain of hPTP1E with or without a ligand. The projection determined by the method agrees with the experimental data and previous simulations. The proposed procedure, which complements existing methods, is a versatile analytical method that is specialized to find the "difference" between two trajectories.

Optimizing Mars Airplane Trajectory with the Application Navigation System

NASA Technical Reports Server (NTRS)

Frumkin, Michael; Riley, Derek

2004-01-01

Planning complex missions requires a number of programs to be executed in concert. The Application Navigation System (ANS), developed in the NAS Division, can execute many interdependent programs in a distributed environment. We show that the ANS simplifies user effort and reduces time in optimization of the trajectory of a martian airplane. We use a software package, Cart3D, to evaluate trajectories and a shortest path algorithm to determine the optimal trajectory. ANS employs the GridScape to represent the dynamic state of the available computer resources. Then, ANS uses a scheduler to dynamically assign ready task to machine resources and the GridScape for tracking available resources and forecasting completion time of running tasks. We demonstrate system capability to schedule and run the trajectory optimization application with efficiency exceeding 60% on 64 processors.

Assessing intra- and inter-regional climate effects on Douglas-fir biomass dynamics in Oregon and Washington, USA

Treesearch

David M. Bell; Andrew N. Gray

2016-01-01

While ecological succession shapes contemporary forest structure and dynamics, other factors like forest structure (dense vs. sparse canopies) and climate may alter structural trajectories. To assess potential sources of variation in structural trajectories, we examined proportional biomass change for a regionally dominant tree species, Douglas-fir (...

A computational proof of concept of a machine-intelligent artificial pancreas using Lyapunov stability and differential game theory.

PubMed

Greenwood, Nigel J C; Gunton, Jenny E

2014-07-01

This study demonstrated the novel application of a "machine-intelligent" mathematical structure, combining differential game theory and Lyapunov-based control theory, to the artificial pancreas to handle dynamic uncertainties. Realistic type 1 diabetes (T1D) models from the literature were combined into a composite system. Using a mixture of "black box" simulations and actual data from diabetic medical histories, realistic sets of diabetic time series were constructed for blood glucose (BG), interstitial fluid glucose, infused insulin, meal estimates, and sometimes plasma insulin assays. The problem of underdetermined parameters was side stepped by applying a variant of a genetic algorithm to partial information, whereby multiple candidate-personalized models were constructed and then rigorously tested using further data. These formed a "dynamic envelope" of trajectories in state space, where each trajectory was generated by a hypothesis on the hidden T1D system dynamics. This dynamic envelope was then culled to a reduced form to cover observed dynamic behavior. A machine-intelligent autonomous algorithm then implemented game theory to construct real-time insulin infusion strategies, based on the flow of these trajectories through state space and their interactions with hypoglycemic or near-hyperglycemic states. This technique was tested on 2 simulated participants over a total of fifty-five 24-hour days, with no hypoglycemic or hyperglycemic events, despite significant uncertainties from using actual diabetic meal histories with 10-minute warnings. In the main case studies, BG was steered within the desired target set for 99.8% of a 16-hour daily assessment period. Tests confirmed algorithm robustness for ±25% carbohydrate error. For over 99% of the overall 55-day simulation period, either formal controller stability was achieved to the desired target or else the trajectory was within the desired target. These results suggest that this is a stable, high-confidence way to generate closed-loop insulin infusion strategies. © 2014 Diabetes Technology Society.

Cherry-picking functionally relevant substates from long md trajectories using a stratified sampling approach.

PubMed

Chandramouli, Balasubramanian; Mancini, Giordano

2016-01-01

Classical Molecular Dynamics (MD) simulations can provide insights at the nanoscopic scale into protein dynamics. Currently, simulations of large proteins and complexes can be routinely carried out in the ns-μs time regime. Clustering of MD trajectories is often performed to identify selective conformations and to compare simulation and experimental data coming from different sources on closely related systems. However, clustering techniques are usually applied without a careful validation of results and benchmark studies involving the application of different algorithms to MD data often deal with relatively small peptides instead of average or large proteins; finally clustering is often applied as a means to analyze refined data and also as a way to simplify further analysis of trajectories. Herein, we propose a strategy to classify MD data while carefully benchmarking the performance of clustering algorithms and internal validation criteria for such methods. We demonstrate the method on two showcase systems with different features, and compare the classification of trajectories in real and PCA space. We posit that the prototype procedure adopted here could be highly fruitful in clustering large trajectories of multiple systems or that resulting especially from enhanced sampling techniques like replica exchange simulations. Copyright: © 2016 by Fabrizio Serra editore, Pisa · Roma.

Enhanced sampling by multiple molecular dynamics trajectories: carbonmonoxy myoglobin 10 micros A0-->A(1-3) transition from ten 400 picosecond simulations.

PubMed

Loccisano, Anne E; Acevedo, Orlando; DeChancie, Jason; Schulze, Brita G; Evanseck, Jeffrey D

2004-05-01

The utility of multiple trajectories to extend the time scale of molecular dynamics simulations is reported for the spectroscopic A-states of carbonmonoxy myoglobin (MbCO). Experimentally, the A0-->A(1-3) transition has been observed to be 10 micros at 300 K, which is beyond the time scale of standard molecular dynamics simulations. To simulate this transition, 10 short (400 ps) and two longer time (1.2 ns) molecular dynamics trajectories, starting from five different crystallographic and solution phase structures with random initial velocities centered in a 37 A radius sphere of water, have been used to sample the native-fold of MbCO. Analysis of the ensemble of structures gathered over the cumulative 5.6 ns reveals two biomolecular motions involving the side chains of His64 and Arg45 to explain the spectroscopic states of MbCO. The 10 micros A0-->A(1-3) transition involves the motion of His64, where distance between His64 and CO is found to vary up to 8.8 +/- 1.0 A during the transition of His64 from the ligand (A(1-3)) to bulk solvent (A0). The His64 motion occurs within a single trajectory only once, however the multiple trajectories populate the spectroscopic A-states fully. Consequently, multiple independent molecular dynamics simulations have been found to extend biomolecular motion from 5 ns of total simulation to experimental phenomena on the microsecond time scale.

Ab initio studies on the photodissociation dynamics of the 1,1-difluoroethyl radical

NASA Astrophysics Data System (ADS)

Fritsche, Lukas; Bach, Andreas; Chen, Peter

2018-02-01

Born-Oppenheimer molecular dynamics trajectory calculations at the HCTH147/6-31G** level of theory simulate the dissociation dynamics of photolytically excited 1,1-difluoroethyl radicals. EOMCCSD/AUG-cc-pVDZ calculations show that an excitation energy of 94.82 kcal/mol is necessary to initiate photodissociation reactions. In contrast to photodissociation dynamics of ethyl radicals where a large discrepancy between actual dissociation rates and rates that are predicted by statistical rate theories, we find reaction rates of 5.1 × 1011 s-1 for the dissociation of an H atom, which is in perfect accord with what is predicted by Rice-Ramsperger-Kassel-Marcus (RRKM) calculations and there is no indication of any nonstatistical effects. However, our trajectory calculations show a much larger fraction of C-C bond breakage reaction of 56% occurring than that expected by RRKM (only 16%).

Ab initio studies on the photodissociation dynamics of the 1,1-difluoroethyl radical.

PubMed

Fritsche, Lukas; Bach, Andreas; Chen, Peter

2018-02-28

Born-Oppenheimer molecular dynamics trajectory calculations at the HCTH147/6-31G** level of theory simulate the dissociation dynamics of photolytically excited 1,1-difluoroethyl radicals. EOMCCSD/AUG-cc-pVDZ calculations show that an excitation energy of 94.82 kcal/mol is necessary to initiate photodissociation reactions. In contrast to photodissociation dynamics of ethyl radicals where a large discrepancy between actual dissociation rates and rates that are predicted by statistical rate theories, we find reaction rates of 5.1 × 10 11 s -1 for the dissociation of an H atom, which is in perfect accord with what is predicted by Rice-Ramsperger-Kassel-Marcus (RRKM) calculations and there is no indication of any nonstatistical effects. However, our trajectory calculations show a much larger fraction of C-C bond breakage reaction of 56% occurring than that expected by RRKM (only 16%).

Single-Molecule Probing the Energy Landscape of Enzymatic Reaction and Non-Covalent Interactions

NASA Astrophysics Data System (ADS)

Lu, H. Peter; Hu, Dehong; Chen, Yu; Vorpagel, Erich R.

2002-03-01

We have applied single-molecule spectroscopy under physiological conditions to study the mechanisms and dynamics of T4 lysozyme enzymatic reactions, characterizing mode-specific protein conformational dynamics. Enzymatic reaction turnovers and the associated structure changes of individual protein molecules were observed simultaneously in real-time. The overall reaction rates were found to vary widely from molecule-to-molecule, and the initial non-specific binding of the enzyme to the substrate was seen to dominate this inhomogeneity. The reaction steps subsequent to the initial binding were found to have homogeneous rates. Molecular dynamics simulation has been applied to elucidate the mechanism and intermediate states of the single-molecule enzymatic reaction. Combining the analysis of single-molecule experimental trajectories, MD simulation trajectories, and statistical modeling, we have revealed the nature of multiple intermediate states involved in the active enzyme-substrate complex formation and the associated conformational change mechanism and dynamics.

Langevin synchronization in a time-dependent, harmonic basin: An exact solution in 1D

NASA Astrophysics Data System (ADS)

Cadilhe, A.; Voter, Arthur F.

2018-02-01

The trajectories of two particles undergoing Langevin dynamics while sharing a common noise sequence can merge into a single (master) trajectory. Here, we present an exact solution for a particle undergoing Langevin dynamics in a harmonic, time-dependent potential, thus extending the idea of synchronization to nonequilibrium systems. We calculate the synchronization level, i.e., the mismatch between two trajectories sharing a common noise sequence, in the underdamped, critically damped, and overdamped regimes. Finally, we provide asymptotic expansions in various limiting cases and compare to the time independent case.

On the trajectories of null and timelike geodesics in different wormhole geometries

NASA Astrophysics Data System (ADS)

Mishra, Anuj; Chakraborty, Subenoy

2018-05-01

The paper deals with an extensive study of null and timelike geodesics in the background of wormhole geometries. Starting with a spherically symmetric spacetime, null geodesics are analyzed for the Morris-Thorne wormhole (WH) and photon spheres are examined in WH geometries. Both bounded and unbounded orbits are discussed for timelike geodesics. A similar analysis has been done for trajectories in a dynamic spherically symmetric WH and for a rotating WH. Finally, the invariant angle method of Rindler and Ishak has been used to calculate the angle between radial and tangential vectors at any point on the photon's trajectory.

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

NASA Astrophysics Data System (ADS)

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

2014-03-01

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

Molecular dynamics study of the conformational properties of cyclohexadecane

NASA Astrophysics Data System (ADS)

Zhang, Renshi; Mattice, Wayne L.

1993-06-01

Molecular dynamics has been used for the first time for the study of the conformational properties of cyclohexadecane, c-C16H32. By analyzing a long molecular dynamics trajectory (14.5 ns) at 450 K, equilibrium statistics such as the relative populations of different isomeric conformers and the probability ratios, p(gt)/p(tt), p(gg)/p(tt), and p(gg)/p(gtg), of different conformational segments, have been studied. The dynamic properties including the transition modes of gauche migration and gauche-pair creation, which have been reported before in n-alkanes, and the auto- and cross-correlations of the bond dihedral angles, have also been obtained. It was possible to make direct comparisons on some of the statistics with theory and experiment. Most of the results extracted from the molecular dynamics trajectory lie in between previously reported experimental and theoretical values. Many previously predicted conformers have been confirmed by our simulations. The results of the population probability of the most populated conformer seems to suggest that an earlier discrepancy between the theoretical works and an experimental work originates from insufficient samplings in earlier theoretical works, rather than from their inaccurate force field.

Formaldehyde roaming dynamics: Comparison of quasi-classical trajectory calculations and experiments.

PubMed

Houston, Paul L; Wang, Xiaohong; Ghosh, Aryya; Bowman, Joel M; Quinn, Mitchell S; Kable, Scott H

2017-07-07

The photodissociation dynamics of roaming in formaldehyde are studied by comparing quasi-classical trajectory calculations performed on a new potential energy surface (PES) to new and detailed experimental results detailing the CO + H 2 product state distributions and their correlations. The new PES proves to be a significant improvement over the past one, now more than a decade old. The new experiments probe both the CO and H 2 products of the formaldehyde dissociation. The experimental and trajectory data offer unprecedented detail about the correlations between internal states of the CO and H 2 dissociation products as well as information on how these distributions are different for the roaming and transition-state pathways. The data investigated include, for dissociation on the formaldehyde 2 1 4 3 band, (a) the speed distributions for individual vibrational/rotational states of the CO products, providing information about the correlated internal energy distributions of the H 2 product, and (b) the rotational and vibrational distributions for the CO and H 2 products as well as the contributions to each from both the transition state and roaming channels. The agreement between the trajectory and experimental data is quite satisfactory, although minor differences are noted. The general agreement provides support for future use of the experimental techniques and the new PES in understanding the dynamics of photodissociative processes.

Comment on "Spontaneous liquid-liquid phase separation of water".

PubMed

Limmer, David T; Chandler, David

2015-01-01

Yagasaki et al. [Phys. Rev. E 89, 020301 (2014)] present results from a molecular dynamics trajectory illustrating coarsening of ice, which they interpret as evidence of transient coexistence between two distinct supercooled phases of liquid water. We point out that neither two distinct liquids nor criticality are demonstrated in this simulation study. Instead, the illustrated trajectory is consistent with coarsening behaviors analyzed and predicted in earlier work by others.

Simple determinant representation for rogue waves of the nonlinear Schrödinger equation.

PubMed

Ling, Liming; Zhao, Li-Chen

2013-10-01

We present a simple representation for arbitrary-order rogue wave solution and a study on the trajectories of them explicitly. We find that the trajectories of two valleys on whole temporal-spatial distribution all look "X" -shaped for rogue waves. Additionally, we present different types of high-order rogue wave structures, which could be helpful towards realizing the complex dynamics of rogue waves.

Swinging Atwood's Machine

NASA Astrophysics Data System (ADS)

Tufillaro, Nicholas B.; Abbott, Tyler A.; Griffiths, David J.

1984-10-01

We examine the motion of an Atwood's Machine in which one of the masses is allowed to swing in a plane. Computer studies reveal a rich variety of trajectories. The orbits are classified (bounded, periodic, singular, and terminating), and formulas for the critical mass ratios are developed. Perturbative techniques yield good approximations to the computer-generated trajectories. The model constitutes a simple example of a nonlinear dynamical system with two degrees of freedom.

Space shuttle launch vehicle performance trajectory, exchange ratios, and dispersion analysis

NASA Technical Reports Server (NTRS)

Toelle, R. G.; Blackwell, D. L.; Lott, L. N.

1973-01-01

A baseline space shuttle performance trajectory for Mission 3A launched from WTR has been generated. Design constraints of maximum dynamic pressure, longitudinal acceleration, and delivered payload were satisfied. Payload exchange ratios are presented with explanation on use. Design envelopes of dynamic pressure, SRB staging point, aerodynamic heating and flight performance reserves are calculated and included.

Comparing Classical Water Models Using Molecular Dynamics to Find Bulk Properties

ERIC Educational Resources Information Center

Kinnaman, Laura J.; Roller, Rachel M.; Miller, Carrie S.

2018-01-01

A computational chemistry exercise for the undergraduate physical chemistry laboratory is described. In this exercise, students use the molecular dynamics package Amber to generate trajectories of bulk liquid water for 4 different water models (TIP3P, OPC, SPC/E, and TIP4Pew). Students then process the trajectory to calculate structural (radial…

Trajectory optimization for the National Aerospace Plane

NASA Technical Reports Server (NTRS)

Lu, Ping

1992-01-01

The primary objective of this research is to develop an efficient and robust trajectory optimization tool for the optimal ascent problem of the National Aerospace Plane (NASP). This report is organized in the following order to summarize the complete work: Section two states the formulation and models of the trajectory optimization problem. An inverse dynamics approach to the problem is introduced in Section three. Optimal trajectories corresponding to various conditions and performance parameters are presented in Section four. A midcourse nonlinear feedback controller is developed in Section five. Section six demonstrates the performance of the inverse dynamics approach and midcourse controller during disturbances. Section seven discusses rocket assisted ascent which may be beneficial when orbital altitude is high. Finally, Section eight recommends areas of future research.

A practical six-degree of freedom solar sail dynamics model for optimizing solar sail trajectories with torque constraints

NASA Technical Reports Server (NTRS)

Lisano, Michael E.

2004-01-01

Controlled flight of a solar sail-propelled spacecraft ('sailcraft') is a six-degree-of-freedom dynamics problem. Current state-of-the-art tools that simulate and optimize the trajectories flown by sailcraft do not treat the full kinetic (i.e. force and torque-constrained) motion, instead treating a discrete history of commanded sail attitudes, and either neglecting the sail attitude motion over an integration timestep, or treating the attitude evolution kinematically with a spline or similar treatment. The present paper discusses an aspect of developing a next generation sailcraf trajectory designing optimization tool JPL, for NASA's Solar Sail Spaceflight Simulation Software (SS). The aspect discussed in an experimental approach to modeling full six-degree-of-freedom kinetic motion of a solar sail in a trajectory propagator. Early results from implementing this approach in a new trajectory propagation tool are given.

Low Energy Transfer to the Moon

NASA Astrophysics Data System (ADS)

Koon, W. S.; Lo, M. W.; Marsden, J. E.; Ross, S. D.

2001-11-01

New space missions are increasingly more complex; demand for exotic orbits to solve engineering problems has grown beyond the existing astrodynamic infrastructure based on two-body interactions. The delicate heteroclinic dynamics used by the Genesis Mission dramatically illustrate the need for a new paradigm: dynamical system study of three-body problem. Furthermore, this dynamics has much to say about the morphology and transport of materials within the Solar System. The cross-fertilization of ideas between the natural dynamics of the Solar System and applications to engineering has produced new techniques for constructing spacecraft trajectories with interesting characteristics. Specifically, these techniques are used here to produce a lunar capture mission which uses less fuel than a Hohmann transfer. We approximate the Sun-Earth-Moon-Spacecraft four-body problem as two three-body problems. Using the invariant manifold structures of the Lagrange points of the three-body systems, we are able to construct low energy transfer trajectories from the Earth which exhibit ballistic capture at the Moon. The techniques used in the design and construction of this trajectory may be applied in many situations. This is joint work with Martin W. Lo, Jerrold E. Marsden and Shane D. Ross and was partially supported by the National Science Foundation Grant No. KFI/ATM-9873133 under a contract with the Jet Propulsion Laboratory, NASA.

Complex-shaped solar sails: A study of the coupled attitude and trajectory dynamics

NASA Astrophysics Data System (ADS)

van de Kolk, Christel Brigitte

The concept of solar sailing is to reflect sunlight of a large surface in space to generate a low thrust, but constantly present, force. By varying the angle between sail normal and incident sunlight, a solar sail can fly inward (to the sun) and outward. The lifetime of a solar sail is not limited by the amount of fuel it can carry, since its fuel is sunlight. Degradation of the reflective surface, due to micrometeorite impact, etc, is the main limiting factor for the lifetime, but it is safe to say that the lifetime of a solar sail will be decades. This extensive lifetime and the possibility of inward and outward travel within the solar system, make solar sails good candidates for cargo missions within our solar system. They are less useful for manned flight, due to the long flight times of solar sail propelled vehicles. For example, the flight time from Earth to Mars is about a year. The solar sails studied previously were flat, single surfaces. The required stiffness and rigidity are provided by either a supporting structure or by spinning the sail. What both concepts have in common is that it was assumed that the attitude dynamics and trajectory dynamics were uncoupled. This assumption eliminates an entire family of promising flight modes in which the coupled motion provides automatic passive attitude dynamics and control. The research presented here will focus on the development of a full 3 dimensional model for the coupled attitude/trajectory dynamics problem of a complex shaped solar sail. This model will then be used to investigate the possible trajectory types and the stability of the attitude dynamics. It will be shown that it is possible to fly either inward to the Sun or out away from the Sun, depending on the dimensions of the individual sail planes and the angle between the two sail planes. However, passive attitude stability for all three axes will not be possible. The roll motion about the sail-sun line is unstable and some form of active control will be needed here.

Self-propelled Brownian spinning top: dynamics of a biaxial swimmer at low Reynolds numbers.

PubMed

Wittkowski, Raphael; Löwen, Hartmut

2012-02-01

Recently the Brownian dynamics of self-propelled (active) rodlike particles was explored to model the motion of colloidal microswimmers, catalytically driven nanorods, and bacteria. Here we generalize this description to biaxial particles with arbitrary shape and derive the corresponding Langevin equation for a self-propelled Brownian spinning top. The biaxial swimmer is exposed to a hydrodynamic Stokes friction force at low Reynolds numbers, to fluctuating random forces and torques as well as to an external and an internal (effective) force and torque. The latter quantities control its self-propulsion. Due to biaxiality and hydrodynamic translational-rotational coupling, the Langevin equation can only be solved numerically. In the special case of an orthotropic particle in the absence of external forces and torques, the noise-free (zero-temperature) trajectory is analytically found to be a circular helix. This trajectory is confirmed numerically to be more complex in the general case of an arbitrarily shaped particle under the influence of arbitrary forces and torques involving a transient irregular motion before ending up in a simple periodic motion. By contrast, if the external force vanishes, no transient regime is found, and the particle moves on a superhelical trajectory. For orthotropic particles, the noise-averaged trajectory is a generalized concho-spiral. We furthermore study the reduction of the model to two spatial dimensions and classify the noise-free trajectories completely finding circles, straight lines with and without transients, as well as cycloids and arbitrary periodic trajectories. © 2012 American Physical Society

Successional dynamics in Neotropical forests are as uncertain as they are predictable

PubMed Central

Norden, Natalia; Angarita, Héctor A.; Bongers, Frans; Martínez-Ramos, Miguel; Granzow-de la Cerda, Iñigo; van Breugel, Michiel; Lebrija-Trejos, Edwin; Meave, Jorge A.; Vandermeer, John; Williamson, G. Bruce; Finegan, Bryan; Mesquita, Rita; Chazdon, Robin L.

2015-01-01

Although forest succession has traditionally been approached as a deterministic process, successional trajectories of vegetation change vary widely, even among nearby stands with similar environmental conditions and disturbance histories. Here, we provide the first attempt, to our knowledge, to quantify predictability and uncertainty during succession based on the most extensive long-term datasets ever assembled for Neotropical forests. We develop a novel approach that integrates deterministic and stochastic components into different candidate models describing the dynamical interactions among three widely used and interrelated forest attributes—stem density, basal area, and species density. Within each of the seven study sites, successional trajectories were highly idiosyncratic, even when controlling for prior land use, environment, and initial conditions in these attributes. Plot factors were far more important than stand age in explaining successional trajectories. For each site, the best-fit model was able to capture the complete set of time series in certain attributes only when both the deterministic and stochastic components were set to similar magnitudes. Surprisingly, predictability of stem density, basal area, and species density did not show consistent trends across attributes, study sites, or land use history, and was independent of plot size and time series length. The model developed here represents the best approach, to date, for characterizing autogenic successional dynamics and demonstrates the low predictability of successional trajectories. These high levels of uncertainty suggest that the impacts of allogenic factors on rates of change during tropical forest succession are far more pervasive than previously thought, challenging the way ecologists view and investigate forest regeneration. PMID:26080411

Successional dynamics in Neotropical forests are as uncertain as they are predictable.

PubMed

Norden, Natalia; Angarita, Héctor A; Bongers, Frans; Martínez-Ramos, Miguel; Granzow-de la Cerda, Iñigo; van Breugel, Michiel; Lebrija-Trejos, Edwin; Meave, Jorge A; Vandermeer, John; Williamson, G Bruce; Finegan, Bryan; Mesquita, Rita; Chazdon, Robin L

2015-06-30

Although forest succession has traditionally been approached as a deterministic process, successional trajectories of vegetation change vary widely, even among nearby stands with similar environmental conditions and disturbance histories. Here, we provide the first attempt, to our knowledge, to quantify predictability and uncertainty during succession based on the most extensive long-term datasets ever assembled for Neotropical forests. We develop a novel approach that integrates deterministic and stochastic components into different candidate models describing the dynamical interactions among three widely used and interrelated forest attributes--stem density, basal area, and species density. Within each of the seven study sites, successional trajectories were highly idiosyncratic, even when controlling for prior land use, environment, and initial conditions in these attributes. Plot factors were far more important than stand age in explaining successional trajectories. For each site, the best-fit model was able to capture the complete set of time series in certain attributes only when both the deterministic and stochastic components were set to similar magnitudes. Surprisingly, predictability of stem density, basal area, and species density did not show consistent trends across attributes, study sites, or land use history, and was independent of plot size and time series length. The model developed here represents the best approach, to date, for characterizing autogenic successional dynamics and demonstrates the low predictability of successional trajectories. These high levels of uncertainty suggest that the impacts of allogenic factors on rates of change during tropical forest succession are far more pervasive than previously thought, challenging the way ecologists view and investigate forest regeneration.

Attitude and Trajectory Estimation Using Earth Magnetic Field Data

NASA Technical Reports Server (NTRS)

Deutschmann, Julie; Bar-Itzhack, Itzhack Y.

1996-01-01

The magnetometer has long been a reliable, inexpensive sensor used in spacecraft momentum management and attitude estimation. Recent studies show an increased accuracy potential for magnetometer-only attitude estimation systems. Since the Earth's magnetic field is a function of time and position, and since time is known quite precisely, the differences between the computer and measured magnetic field components, as measured by the magnetometers throughout the entire spacecraft orbit, are a function of both the spacecraft trajectory and attitude errors. Therefore, these errors can be used to estimate both trajectory and attitude. Traditionally, satellite attitude and trajectory have been estimated with completely separate system, using different measurement data. Recently, trajectory estimation for low earth orbit satellites was successfully demonstrated in ground software using only magnetometer data. This work proposes a single augmented extended Kalman Filter to simultaneously and autonomously estimate both spacecraft trajectory and attitude with data from a magnetometer and either dynamically determined rates or gyro-measured body rates.

Trajectory optimization for lunar rover performing vertical takeoff vertical landing maneuvers in the presence of terrain

NASA Astrophysics Data System (ADS)

Ma, Lin; Wang, Kexin; Xu, Zuhua; Shao, Zhijiang; Song, Zhengyu; Biegler, Lorenz T.

2018-05-01

This study presents a trajectory optimization framework for lunar rover performing vertical takeoff vertical landing (VTVL) maneuvers in the presence of terrain using variable-thrust propulsion. First, a VTVL trajectory optimization problem with three-dimensional kinematics and dynamics model, boundary conditions, and path constraints is formulated. Then, a finite-element approach transcribes the formulated trajectory optimization problem into a nonlinear programming (NLP) problem solved by a highly efficient NLP solver. A homotopy-based backtracking strategy is applied to enhance the convergence in solving the formulated VTVL trajectory optimization problem. The optimal thrust solution typically has a "bang-bang" profile considering that bounds are imposed on the magnitude of engine thrust. An adaptive mesh refinement strategy based on a constant Hamiltonian profile is designed to address the difficulty in locating the breakpoints in the thrust profile. Four scenarios are simulated. Simulation results indicate that the proposed trajectory optimization framework has sufficient adaptability to handle VTVL missions efficiently.

Interplanetary Program to Optimize Simulated Trajectories (IPOST). Volume 2: Analytic manual

NASA Technical Reports Server (NTRS)

Hong, P. E.; Kent, P. D.; Olson, D. W.; Vallado, C. A.

1992-01-01

The Interplanetary Program to Optimize Space Trajectories (IPOST) is intended to support many analysis phases, from early interplanetary feasibility studies through spacecraft development and operations. The IPOST output provides information for sizing and understanding mission impacts related to propulsion, guidance, communications, sensor/actuators, payload, and other dynamic and geometric environments. IPOST models three degree of freedom trajectory events, such as launch/ascent, orbital coast, propulsive maneuvering (impulsive and finite burn), gravity assist, and atmospheric entry. Trajectory propagation is performed using a choice of Cowell, Encke, Multiconic, Onestep, or Conic methods. The user identifies a desired sequence of trajectory events, and selects which parameters are independent (controls) and dependent (targets), as well as other constraints and the cost function. Targeting and optimization is performed using the Stanford NPSOL algorithm. IPOST structure allows subproblems within a master optimization problem to aid in the general constrained parameter optimization solution. An alternate optimization method uses implicit simulation and collocation techniques.

Firing rate dynamics in the hippocampus induced by trajectory learning.

PubMed

Ji, Daoyun; Wilson, Matthew A

2008-04-30

The hippocampus is essential for spatial navigation, which may involve sequential learning. However, how the hippocampus encodes new sequences in familiar environments is unknown. To study the impact of novel spatial sequences on the activity of hippocampal neurons, we monitored hippocampal ensembles while rats learned to switch from two familiar trajectories to a new one in a familiar environment. Here, we show that this novel spatial experience induces two types of changes in firing rates, but not locations of hippocampal place cells. First, place-cell firing rates on the two familiar trajectories start to change before the actual behavioral switch to the new trajectory. Second, repeated exposure on the new trajectory is associated with an increased dependence of place-cell firing rates on immediate past locations. The result suggests that sequence encoding in the hippocampus may involve integration of information about the recent past into current state.

Firing Rate Dynamics in the Hippocampus Induced by Trajectory Learning

PubMed Central

Wilson, Matthew A.

2008-01-01

The hippocampus is essential for spatial navigation, which may involve sequential learning. However, how the hippocampus encodes new sequences in familiar environments is unknown. To study the impact of novel spatial sequences on the activity of hippocampal neurons, we monitored hippocampal ensembles while rats learned to switch from two familiar trajectories to a new one in a familiar environment. Here, we show that this novel spatial experience induces two types of changes in firing rates, but not locations of hippocampal place cells. First, place-cell firing rates on the two familiar trajectories start to change before the actual behavioral switch to the new trajectory. Second, repeated exposure on the new trajectory is associated with an increased dependence of place-cell firing rates on immediate past locations. The result suggests that sequence encoding in the hippocampus may involve integration of information about the recent past into current state. PMID:18448645

Moyal dynamics and trajectories

NASA Astrophysics Data System (ADS)

Braunss, G.

2010-01-01

We give first an approximation of the operator δh: f → δhf := h*planckf - f*planckh in terms of planck2n, n >= 0, where h\\equiv h(p,q), (p,q)\\in {\\mathbb R}^{2 n} , is a Hamilton function and *planck denotes the star product. The operator, which is the generator of time translations in a *planck-algebra, can be considered as a canonical extension of the Liouville operator Lh: f → Lhf := {h, f}Poisson. Using this operator we investigate the dynamics and trajectories of some examples with a scheme that extends the Hamilton-Jacobi method for classical dynamics to Moyal dynamics. The examples we have chosen are Hamiltonians with a one-dimensional quartic potential and two-dimensional radially symmetric nonrelativistic and relativistic Coulomb potentials, and the Hamiltonian for a Schwarzschild metric. We further state a conjecture concerning an extension of the Bohr-Sommerfeld formula for the calculation of the exact eigenvalues for systems with classically periodic trajectories.

Task driven optimal leg trajectories in insect-scale legged microrobots

NASA Astrophysics Data System (ADS)

Doshi, Neel; Goldberg, Benjamin; Jayaram, Kaushik; Wood, Robert

Origami inspired layered manufacturing techniques and 3D-printing have enabled the development of highly articulated legged robots at the insect-scale, including the 1.43g Harvard Ambulatory MicroRobot (HAMR). Research on these platforms has expanded its focus from manufacturing aspects to include design optimization and control for application-driven tasks. Consequently, the choice of gait selection, body morphology, leg trajectory, foot design, etc. have become areas of active research. HAMR has two controlled degrees-of-freedom per leg, making it an ideal candidate for exploring leg trajectory. We will discuss our work towards optimizing HAMR's leg trajectories for two different tasks: climbing using electroadhesives and level ground running (5-10 BL/s). These tasks demonstrate the ability of single platform to adapt to vastly different locomotive scenarios: quasi-static climbing with controlled ground contact, and dynamic running with un-controlled ground contact. We will utilize trajectory optimization methods informed by existing models and experimental studies to determine leg trajectories for each task. We also plan to discuss how task specifications and choice of objective function have contributed to the shape of these optimal leg trajectories.

Studies of aircraft differential maneuvering. Report 75-27: Calculating of differential-turning barrier surfaces. Report 75-26: A user's guide to the aircraft energy-turn and tandem-motion computer programs. Report 75-7: A user's guide to the aircraft energy-turn hodograph program. [numerical analysis of tactics and aircraft maneuvers of supersonic attack aircraft

NASA Technical Reports Server (NTRS)

Kelley, H. J.; Lefton, L.

1976-01-01

The numerical analysis of composite differential-turn trajectory pairs was studied for 'fast-evader' and 'neutral-evader' attitude dynamics idealization for attack aircraft. Transversality and generalized corner conditions are examined and the joining of trajectory segments discussed. A criterion is given for the screening of 'tandem-motion' trajectory segments. Main focus is upon the computation of barrier surfaces. Fortunately, from a computational viewpoint, the trajectory pairs defining these surfaces need not be calculated completely, the final subarc of multiple-subarc pairs not being required. Some calculations for pairs of example aircraft are presented. A computer program used to perform the calculations is included.

Ascent Guidance for a Winged Boost Vehicle. M.S. Thesis

NASA Technical Reports Server (NTRS)

Corvin, Michael Alexander

1988-01-01

The objective of the advanced ascent guidance study was to investigate guidance concepts which could contribute to increased autonomy during ascent operations in a winged boost vehicle such as the proposed Shuttle II. The guidance scheme was required to yield near a full-optimal ascent in the presence of vehicle system and environmental dispersions. The study included consideration of trajectory shaping issues, trajectory design, closed loop and predictive adaptive guidance techniques and control of dynamic pressure by throttling. An extensive ascent vehicle simulation capability was developed for use in the study.

Dissipative gravitational bouncer on a vibrating surface

NASA Astrophysics Data System (ADS)

Espinoza Ortiz, J. S.; Lagos, R. E.

2017-12-01

We study the dynamical behavior of a particle flying under the influence of a gravitational field, with dissipation constant λ (Stokes-like), colliding successive times against a rigid surface vibrating harmonically with restitution coefficient α. We define re-scaled dimensionless dynamical variables, such as the relative particle velocity Ω with respect to the surface’s velocity; and the real parameter τ accounting for the temporal evolution of the system. At the particle-surface contact point and for the k‧th collision, we construct the mapping described by (τk ; Ω k ) in order to analyze the system’s nonlinear dynamical behavior. From the dynamical mapping, the fixed point trajectory is computed and its stability is analyzed. We find the dynamical behavior of the fixed point trajectory to be stable or unstable, depending on the values of the re-scaled vibrating surface amplitude Γ, the restitution coefficient α and the damping constant λ. Other important dynamical aspects such as the phase space volume and the one cycle vibrating surface (decomposed into absorbing and transmitting regions) are also discussed. Furthermore, the model rescues well known results in the limit λ = 0.

A Smoluchowski model of crystallization dynamics of small colloidal clusters

NASA Astrophysics Data System (ADS)

Beltran-Villegas, Daniel J.; Sehgal, Ray M.; Maroudas, Dimitrios; Ford, David M.; Bevan, Michael A.

2011-10-01

We investigate the dynamics of colloidal crystallization in a 32-particle system at a fixed value of interparticle depletion attraction that produces coexisting fluid and solid phases. Free energy landscapes (FELs) and diffusivity landscapes (DLs) are obtained as coefficients of 1D Smoluchowski equations using as order parameters either the radius of gyration or the average crystallinity. FELs and DLs are estimated by fitting the Smoluchowski equations to Brownian dynamics (BD) simulations using either linear fits to locally initiated trajectories or global fits to unbiased trajectories using Bayesian inference. The resulting FELs are compared to Monte Carlo Umbrella Sampling results. The accuracy of the FELs and DLs for modeling colloidal crystallization dynamics is evaluated by comparing mean first-passage times from BD simulations with analytical predictions using the FEL and DL models. While the 1D models accurately capture dynamics near the free energy minimum fluid and crystal configurations, predictions near the transition region are not quantitatively accurate. A preliminary investigation of ensemble averaged 2D order parameter trajectories suggests that 2D models are required to capture crystallization dynamics in the transition region.

Properties of the optimal trajectories for coplanar, aeroassisted orbital transfer

NASA Technical Reports Server (NTRS)

Miele, A.; Wang, T.; Deaton, A. W.

1990-01-01

The optimization of trajectories for coplaner, aeroassisted orbital transfer (AOT) from a high Earth orbit (HEO) to a low Earth orbit (LEO) is examined. In particular, HEO can be a geosynchronous Earth orbit (GEO). It is assumed that the initial and final orbits are circular, that the gravitational field is central and is governed by the inverse square law, and that two impulses are employed, one at HEO exit and one at LEO entry. During the atmospheric pass, the trajectory is controlled via the lift coefficient in such a way that the total characteristic velocity is minimized. First, an ideal optimal trajectory is determined analytically for lift coefficient unbounded. This trajectory is called grazing trajectory, because the atmospheric pass is made by flying at constant altitude along the edge of the atmosphere until the excess velocity is depleted. For the grazing trajectory, the lift coefficient varies in such a way that the lift, the centrifugal force due to the Earth's curvature, the weight, and the Coriolis force due to the Earth's rotation are in static balance. Also, the grazing trajectory minimizes the total characteristic velocity and simultaneously nearly minimizes the peak values of the altitude drop, dynamic pressure, and heating rate. Next, starting from the grazing trajectory results, a real optimal trajectory is determined numerically for the lift coefficient bounded from both below and above. This trajectory is characterized by atmospheric penetration with the smallest possible entry angle, followed by flight at the lift coefficient lower bound. Consistently with the grazing trajectory behavior, the real optimal trajectory minimizes the total characteristic velocity and simultaneously nearly minimizes the peak values of the altitude drop, the dynamic pressure, and the heating rate.

Implementation of optimal trajectory control of series resonant converter

NASA Technical Reports Server (NTRS)

Oruganti, Ramesh; Yang, James J.; Lee, Fred C.

1987-01-01

Due to the presence of a high-frequency LC tank circuit, the dynamics of a resonant converter are unpredictable. There is often a large surge of tank energy during transients. Using state-plane analysis technique, an optimal trajectory control utilizing the desired solution trajectory as the control law was previously proposed for the series resonant converters. The method predicts the fastest response possible with minimum energy surge in the resonant tank. The principle of the control and its experimental implementation are described here. The dynamics of the converter are shown to be close to time-optimal.

Trajectory Design Strategies for the NGST L2 Libration Point Mission

NASA Technical Reports Server (NTRS)

Folta, David; Cooley, Steven; Howell, Kathleen; Bauer, Frank H.

2001-01-01

The Origins' Next Generation Space Telescope (NGST) trajectory design is addressed in light of improved methods for attaining constrained orbit parameters and their control at the exterior collinear libration point, L2. The use of a dynamical systems approach, state-space equations for initial libration orbit control, and optimization to achieve constrained orbit parameters are emphasized. The NGST trajectory design encompasses a direct transfer and orbit maintenance under a constant acceleration. A dynamical systems approach can be used to provide a biased orbit and stationkeeping maintenance method that incorporates the constraint of a single axis correction scheme.

Low-Thrust Many-Revolution Trajectory Optimization via Differential Dynamic Programming and a Sundman Transformation

NASA Technical Reports Server (NTRS)

Aziz, Jonathan D.; Parker, Jeffrey S.; Scheeres, Daniel J.; Englander, Jacob A.

2017-01-01

Low-thrust trajectories about planetary bodies characteristically span a high count of orbital revolutions. Directing the thrust vector over many revolutions presents a challenging optimization problem for any conventional strategy. This paper demonstrates the tractability of low-thrust trajectory optimization about planetary bodies by applying a Sundman transformation to change the independent variable of the spacecraft equations of motion to the eccentric anomaly and performing the optimization with differential dynamic programming. Fuel-optimal geocentric transfers are shown in excess of 1000 revolutions while subject to Earths J2 perturbation and lunar gravity.

The Dynamics of Chemical Reactions: Atomistic Visualizations of Organic Reactions, and Homage to van 't Hoff.

PubMed

Yang, Zhongyue; Houk, K N

2018-03-15

Jacobus Henricus van 't Hoff was the first Nobel Laureate in Chemistry. He pioneered in the study of chemical dynamics, which referred at that time to chemical kinetics and thermodynamics. The term has evolved in modern times to refer to the exploration of chemical transformations in a time-resolved fashion. Chemical dynamics has been driven by the development of molecular dynamics trajectory simulations, which provide atomic visualization of chemical processes and illuminate how dynamic effects influence chemical reactivity and selectivity. In homage to the legend of van 't Hoff, we review the development of the chemical dynamics of organic reactions, our area of research. We then discuss our trajectory simulations of pericyclic reactions, and our development of dynamic criteria for concerted and stepwise reaction mechanisms. We also describe a method that we call environment-perturbed transition state sampling, which enables trajectory simulations in condensed-media using quantum mechanics and molecular mechanics (QM/MM). We apply the method to reactions in solvent and in enzyme. Jacobus Henricus van 't Hoff (1852, Rotterdam-1911, Berlin) received the Nobel Prize for Chemistry in 1901 "in recognition of the extraordinary services he has rendered by the discovery of the laws of chemical dynamics and osmotic pressure in solutions". van 't Hoff was born the Netherlands, and earned his doctorate in Utrecht in 1874. In 1896 he moved to Berlin, where he was offered a position with more research and less teaching. van 't Hoff is considered one of the founders of physical chemistry. A key step in establishing this new field was the start of Zeitschrift für Physikalische Chemie in 1887. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamics and Control of Three-Dimensional Perching Maneuver under Dynamic Stall Influence

NASA Astrophysics Data System (ADS)

Feroskhan, Mir Alikhan Bin Mohammad

Perching is a type of aggressive maneuver performed by the class 'Aves' species to attain precision point landing with a generally short landing distance. Perching capability is desirable on unmanned aerial vehicles (UAVs) due to its efficient deceleration process that potentially expands the functionality and flight envelope of the aircraft. This dissertation extends the previous works on perching, which is mostly limited to two-dimensional (2D) cases, to its state-of-the-art threedimensional (3D) variety. This dissertation presents the aerodynamic modeling and optimization framework adopted to generate unprecedented variants of the 3D perching maneuver that include the sideslip perching trajectory, which ameliorates the existing 2D perching concept by eliminating the undesirable undershoot and reliance on gravity. The sideslip perching technique methodically utilizes the lateral and longitudinal drag mechanisms through consecutive phases of yawing and pitching-up motion. Since perching maneuver involves high rates of change in the angles of attack and large turn rates, introduction of three internal variables thus becomes necessary for addressing the influence of dynamic stall delay on the UAV's transient post-stall behavior. These variables are then integrated into a static nonlinear aerodynamic model, developed using empirical and analytical methods, and into an optimization framework that generates a trajectory of sideslip perching maneuver, acquiring over 70% velocity reduction. An impact study of the dynamic stall influence on the optimal perching trajectories suggests that consideration of dynamic stall delay is essential due to the significant discrepancies in the corresponding control inputs required. A comparative study between 2D and 3D perching is also conducted to examine the different drag mechanisms employed by 2D and 3D perching respectively. 3D perching is presented as a more efficient deceleration technique with respect to spatial costs and initial altitude range. Contraction analysis is shown to be a useful technique in identifying the state variables that are required to be tracked for attaining stability of optimal perching trajectories. Based on the selected tracking variables, two sliding control strategies are proposed and comparatively examined to close the control loop and provide the required robustness and convergence to the optimal perching trajectory in the presence of perturbations and dynamic stall model inaccuracies. This dissertation concludes that the sliding controller with the adaptive gain feature is more effective and essential in providing better tracking performance through illustrations of the corresponding convergence area and at higher intensity of perturbations.

Reexamining Demotivators and Motivators: A Longitudinal Study of Japanese Freshmen's Dynamic System in an EFL Context

ERIC Educational Resources Information Center

Kikuchi, Keita

2017-01-01

Twenty Japanese university freshmen majoring in International Studies (N = 4) and Nursing (N = 16) participated in a 10-month project examining changes in their motivation. Using monthly focus group interviews and a 35-item questionnaire, the dynamic systems of various types of learners of English over two semesters were explored. Trajectories of…

Analyzing DNA curvature and its impact on the ionic environment: application to molecular dynamics simulations of minicircles

PubMed Central

Pasi, Marco; Zakrzewska, Krystyna; Maddocks, John H.

2017-01-01

Abstract We propose a method for analyzing the magnitude and direction of curvature within nucleic acids, based on the curvilinear helical axis calculated by Curves+. The method is applied to analyzing curvature within minicircles constructed with varying degrees of over- or under-twisting. Using the molecular dynamics trajectories of three different minicircles, we are able to quantify how curvature varies locally both in space and in time. We also analyze how curvature influences the local environment of the minicircles, notably via increased heterogeneity in the ionic distributions surrounding the double helix. The approach we propose has been integrated into Curves+ and the utilities Canal (time trajectory analysis) and Canion (environmental analysis) and can be used to study a wide variety of static and dynamic structural data on nucleic acids. PMID:28180333

Turbulence and the Stabilization Principle

NASA Technical Reports Server (NTRS)

Zak, Michail

2010-01-01

Further results of research, reported in several previous NASA Tech Briefs articles, were obtained on a mathematical formalism for postinstability motions of a dynamical system characterized by exponential divergences of trajectories leading to chaos (including turbulence). To recapitulate: Fictitious control forces are introduced to couple the dynamical equations with a Liouville equation that describes the evolution of the probability density of errors in initial conditions. These forces create a powerful terminal attractor in probability space that corresponds to occurrence of a target trajectory with probability one. The effect in ordinary perceived three-dimensional space is to suppress exponential divergences of neighboring trajectories without affecting the target trajectory. Con sequently, the postinstability motion is represented by a set of functions describing the evolution of such statistical quantities as expectations and higher moments, and this representation is stable. The previously reported findings are analyzed from the perspective of the authors Stabilization Principle, according to which (1) stability is recognized as an attribute of mathematical formalism rather than of underlying physics and (2) a dynamical system that appears unstable when modeled by differentiable functions only can be rendered stable by modifying the dynamical equations to incorporate intrinsic stochasticity.

Complexity Science Applications to Dynamic Trajectory Management: Research Strategies

NASA Technical Reports Server (NTRS)

Sawhill, Bruce; Herriot, James; Holmes, Bruce J.; Alexandrov, Natalia

2009-01-01

The promise of the Next Generation Air Transportation System (NextGen) is strongly tied to the concept of trajectory-based operations in the national airspace system. Existing efforts to develop trajectory management concepts are largely focused on individual trajectories, optimized independently, then de-conflicted among each other, and individually re-optimized, as possible. The benefits in capacity, fuel, and time are valuable, though perhaps could be greater through alternative strategies. The concept of agent-based trajectories offers a strategy for automation of simultaneous multiple trajectory management. The anticipated result of the strategy would be dynamic management of multiple trajectories with interacting and interdependent outcomes that satisfy multiple, conflicting constraints. These constraints would include the business case for operators, the capacity case for the Air Navigation Service Provider (ANSP), and the environmental case for noise and emissions. The benefits in capacity, fuel, and time might be improved over those possible under individual trajectory management approaches. The proposed approach relies on computational agent-based modeling (ABM), combinatorial mathematics, as well as application of "traffic physics" concepts to the challenge, and modeling and simulation capabilities. The proposed strategy could support transforming air traffic control from managing individual aircraft behaviors to managing systemic behavior of air traffic in the NAS. A system built on the approach could provide the ability to know when regions of airspace approach being "full," that is, having non-viable local solution space for optimizing trajectories in advance.

Optimal trajectories for an aerospace plane. Part 2: Data, tables, and graphs

NASA Technical Reports Server (NTRS)

Miele, Angelo; Lee, W. Y.; Wu, G. D.

1990-01-01

Data, tables, and graphs relative to the optimal trajectories for an aerospace plane are presented. A single-stage-to-orbit (SSTO) configuration is considered, and the transition from low supersonic speeds to orbital speeds is studied for a single aerodynamic model (GHAME) and three engine models. Four optimization problems are solved using the sequential gradient-restoration algorithm for optimal control problems: (1) minimization of the weight of fuel consumed; (2) minimization of the peak dynamic pressure; (3) minimization of the peak heating rate; and (4) minimization of the peak tangential acceleration. The above optimization studies are carried out for different combinations of constraints, specifically: initial path inclination that is either free or given; dynamic pressure that is either free or bounded; and tangential acceleration that is either free or bounded.

Quality of life in bipolar disorder: towards a dynamic understanding.

PubMed

Morton, E; Murray, G; Michalak, E E; Lam, R W; Beaulieu, S; Sharma, V; Cervantes, P; Parikh, S V; Yatham, L N

2018-05-01

Although quality of life (QoL) is receiving increasing attention in bipolar disorder (BD) research and practice, little is known about its naturalistic trajectory. The dual aims of this study were to prospectively investigate: (a) the trajectory of QoL under guideline-driven treatment and (b) the dynamic relationship between mood symptoms and QoL. In total, 362 patients with BD receiving guideline-driven treatment were prospectively followed at 3-month intervals for up to 5 years. Mental (Mental Component Score - MCS) and physical (Physical Component Score - PCS) QoL were measured using the self-report SF-36. Clinician-rated symptom data were recorded for mania and depression. Multilevel modelling was used to analyse MCS and PCS over time, QoL trajectories predicted by time-lagged symptoms, and symptom trajectories predicted by time-lagged QoL. MCS exhibited a positive trajectory, while PCS worsened over time. Investigation of temporal relationships between QoL and symptoms suggested bidirectional effects: earlier depressive symptoms were negatively associated with mental QoL, and earlier manic symptoms were negatively associated with physical QoL. Importantly, earlier MCS and PCS were both negatively associated with downstream symptoms of mania and depression. The present investigation illustrates real-world outcomes for QoL under guideline-driven BD treatment: improvements in mental QoL and decrements in physical QoL were observed. The data permitted investigation of dynamic interactions between QoL and symptoms, generating novel evidence for bidirectional effects and encouraging further research into this important interplay. Investigation of relevant time-varying covariates (e.g. medications) was beyond scope. Future research should investigate possible determinants of QoL and the interplay between symptoms and wellbeing/satisfaction-centric measures of QoL.

Observing single quantum trajectories of a superconducting qubit: ensemble properties and driven dynamics

NASA Astrophysics Data System (ADS)

Weber, Steven; Murch, K. W.; Chantasri, A.; Dressel, J.; Jordan, A. N.; Siddiqi, I.

2014-03-01

We use weak measurements to track individual quantum trajectories of a superconducting qubit embedded in a microwave cavity. Using a near-quantum-limited parametric amplifier, we selectively measure either the phase or amplitude of the cavity field, and thereby confine trajectories to either the equator or a meridian of the Bloch sphere. We analyze ensembles of trajectories to determine statistical properties such as the most likely path and most likely time connecting pre and post-selected quantum states. We compare our results with theoretical predictions derived from an action principle for continuous quantum measurement. Furthermore, by introducing a qubit drive, we investigate the interplay between unitary state evolution and non-unitary measurement dynamics. This work was supported by the IARPA CSQ program and the ONR.

Classical-trajectory simulation of accelerating neutral atoms with polarized intense laser pulses

NASA Astrophysics Data System (ADS)

Xia, Q. Z.; Fu, L. B.; Liu, J.

2013-03-01

In the present paper, we perform the classical trajectory Monte Carlo simulation of the complex dynamics of accelerating neutral atoms with linearly or circularly polarized intense laser pulses. Our simulations involve the ion motion as well as the tunneling ionization and the scattering dynamics of valence electron in the combined Coulomb and electromagnetic fields, for both helium (He) and magnesium (Mg). We show that for He atoms, only linearly polarized lasers can effectively accelerate the atoms, while for Mg atoms, we find that both linearly and circularly polarized lasers can successively accelerate the atoms. The underlying mechanism is discussed and the subcycle dynamics of accelerating trajectories is investigated. We have compared our theoretical results with a recent experiment [Eichmann Nature (London)NATUAS0028-083610.1038/nature08481 461, 1261 (2009)].

A multicolour graph as a complete topological invariant for \\Omega-stable flows without periodic trajectories on surfaces

NASA Astrophysics Data System (ADS)

Kruglov, V. E.; Malyshev, D. S.; Pochinka, O. V.

2018-01-01

Studying the dynamics of a flow on surfaces by partitioning the phase space into cells with the same limit behaviour of trajectories within a cell goes back to the classical papers of Andronov, Pontryagin, Leontovich and Maier. The types of cells (the number of which is finite) and how the cells adjoin one another completely determine the topological equivalence class of a flow with finitely many special trajectories. If one trajectory is chosen in every cell of a rough flow without periodic orbits, then the cells are partitioned into so-called triangular regions of the same type. A combinatorial description of such a partition gives rise to the three-colour Oshemkov-Sharko graph, the vertices of which correspond to the triangular regions, and the edges to separatrices connecting them. Oshemkov and Sharko proved that such flows are topologically equivalent if and only if the three-colour graphs of the flows are isomorphic, and described an algorithm of distinguishing three-colour graphs. But their algorithm is not efficient with respect to graph theory. In the present paper, we describe the dynamics of Ω-stable flows without periodic trajectories on surfaces in the language of four-colour graphs, present an efficient algorithm for distinguishing such graphs, and develop a realization of a flow from some abstract graph. Bibliography: 17 titles.

The Effects of Auditory Information on 4-Month-Old Infants' Perception of Trajectory Continuity

ERIC Educational Resources Information Center

Bremner, J. Gavin; Slater, Alan M.; Johnson, Scott P.; Mason, Uschi C.; Spring, Jo

2012-01-01

Young infants perceive an object's trajectory as continuous across occlusion provided the temporal or spatial gap in perception is small. In 3 experiments involving 72 participants the authors investigated the effects of different forms of auditory information on 4-month-olds' perception of trajectory continuity. Provision of dynamic auditory…

Revealing nonergodic dynamics in living cells from a single particle trajectory

NASA Astrophysics Data System (ADS)

Lanoiselée, Yann; Grebenkov, Denis S.

2016-05-01

We propose the improved ergodicity and mixing estimators to identify nonergodic dynamics from a single particle trajectory. The estimators are based on the time-averaged characteristic function of the increments and can thus capture additional information on the process as compared to the conventional time-averaged mean-square displacement. The estimators are first investigated and validated for several models of anomalous diffusion, such as ergodic fractional Brownian motion and diffusion on percolating clusters, and nonergodic continuous-time random walks and scaled Brownian motion. The estimators are then applied to two sets of earlier published trajectories of mRNA molecules inside live Escherichia coli cells and of Kv2.1 potassium channels in the plasma membrane. These statistical tests did not reveal nonergodic features in the former set, while some trajectories of the latter set could be classified as nonergodic. Time averages along such trajectories are thus not representative and may be strongly misleading. Since the estimators do not rely on ensemble averages, the nonergodic features can be revealed separately for each trajectory, providing a more flexible and reliable analysis of single-particle tracking experiments in microbiology.

Kalman filter techniques for accelerated Cartesian dynamic cardiac imaging.

PubMed

Feng, Xue; Salerno, Michael; Kramer, Christopher M; Meyer, Craig H

2013-05-01

In dynamic MRI, spatial and temporal parallel imaging can be exploited to reduce scan time. Real-time reconstruction enables immediate visualization during the scan. Commonly used view-sharing techniques suffer from limited temporal resolution, and many of the more advanced reconstruction methods are either retrospective, time-consuming, or both. A Kalman filter model capable of real-time reconstruction can be used to increase the spatial and temporal resolution in dynamic MRI reconstruction. The original study describing the use of the Kalman filter in dynamic MRI was limited to non-Cartesian trajectories because of a limitation intrinsic to the dynamic model used in that study. Here the limitation is overcome, and the model is applied to the more commonly used Cartesian trajectory with fast reconstruction. Furthermore, a combination of the Kalman filter model with Cartesian parallel imaging is presented to further increase the spatial and temporal resolution and signal-to-noise ratio. Simulations and experiments were conducted to demonstrate that the Kalman filter model can increase the temporal resolution of the image series compared with view-sharing techniques and decrease the spatial aliasing compared with TGRAPPA. The method requires relatively little computation, and thus is suitable for real-time reconstruction. Copyright © 2012 Wiley Periodicals, Inc.

Kalman Filter Techniques for Accelerated Cartesian Dynamic Cardiac Imaging

PubMed Central

Feng, Xue; Salerno, Michael; Kramer, Christopher M.; Meyer, Craig H.

2012-01-01

In dynamic MRI, spatial and temporal parallel imaging can be exploited to reduce scan time. Real-time reconstruction enables immediate visualization during the scan. Commonly used view-sharing techniques suffer from limited temporal resolution, and many of the more advanced reconstruction methods are either retrospective, time-consuming, or both. A Kalman filter model capable of real-time reconstruction can be used to increase the spatial and temporal resolution in dynamic MRI reconstruction. The original study describing the use of the Kalman filter in dynamic MRI was limited to non-Cartesian trajectories, because of a limitation intrinsic to the dynamic model used in that study. Here the limitation is overcome and the model is applied to the more commonly used Cartesian trajectory with fast reconstruction. Furthermore, a combination of the Kalman filter model with Cartesian parallel imaging is presented to further increase the spatial and temporal resolution and SNR. Simulations and experiments were conducted to demonstrate that the Kalman filter model can increase the temporal resolution of the image series compared with view sharing techniques and decrease the spatial aliasing compared with TGRAPPA. The method requires relatively little computation, and thus is suitable for real-time reconstruction. PMID:22926804

Allowable Trajectory Variations for Space Shuttle Orbiter Entry-Aeroheating CFD

NASA Technical Reports Server (NTRS)

Wood, William A.; Alter, Stephen J.

2008-01-01

Reynolds-number criteria are developed for acceptable variations in Space Shuttle Orbiter entry trajectories for use in computational aeroheating analyses. The criteria determine if an existing computational fluid dynamics solution for a particular trajectory can be extrapolated to a different trajectory. The criteria development begins by estimating uncertainties for seventeen types of computational aeroheating data, such as boundary layer thickness, at exact trajectory conditions. For each type of datum, the allowable uncertainty contribution due to trajectory variation is set to be half of the value of the estimated exact-trajectory uncertainty. Then, for the twelve highest-priority datum types, Reynolds-number relations between trajectory variation and output uncertainty are determined. From these relations the criteria are established for the maximum allowable trajectory variations. The most restrictive criterion allows a 25% variation in Reynolds number at constant Mach number between trajectories.

Development Trajectories and Predictors of the Role Commitment of Nursing Preceptors.

PubMed

Wang, Wei-Fang; Hung, Chich-Hsiu; Li, Chung-Yi

2018-06-01

The commitment of nursing preceptors to their role is an important driving force that supports their clinical teaching and affects teaching quality. Role commitment undergoes dynamic development and thus changes over time. Existing studies have utilized only cross-sectional study designs and have not analyzed the changes in commitment trajectories with related factors. This study aimed to investigate the development trajectories of the commitment of preceptors and to examine the predictors between the trajectories of role commitment among nursing preceptors. A single-group, repeated-measures design was adopted, and 59 participants completed the Commitment to the Preceptor Role Scale and the Preceptor's Perception of Support Scale. The latent class growth analysis method was used to estimate the trajectory class patterns. The Wilcoxon rank-sum test, a nonparametric method, was used to compare the differences in demographic characteristics between the trajectories of commitment among nursing preceptors. Predictors were examined using binary logistic regression analysis. The two-class model was the best-fitting model to describe the trajectories of nursing preceptor commitment. The two classes in this model were "low commitment," which accounted for 90.3% of all the participants, and "high commitment," which accounted for 9.7%. A significant difference was found between the two classes in terms of motivation for being a preceptor (p = .048). Neither demographic characteristics nor organizational support had a predictive effect on the trajectories of commitment development. This study found a low level of role commitment among new preceptors. Moreover, internal motivation was found to be a significant factor affecting the trajectories of this commitment. Therefore, institutions should foster an appropriate environment to enhance the role identity of preceptors as well as cultivate and stimulate their commitment to this role.

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories.

PubMed

McGibbon, Robert T; Beauchamp, Kyle A; Harrigan, Matthew P; Klein, Christoph; Swails, Jason M; Hernández, Carlos X; Schwantes, Christian R; Wang, Lee-Ping; Lane, Thomas J; Pande, Vijay S

2015-10-20

As molecular dynamics (MD) simulations continue to evolve into powerful computational tools for studying complex biomolecular systems, the necessity of flexible and easy-to-use software tools for the analysis of these simulations is growing. We have developed MDTraj, a modern, lightweight, and fast software package for analyzing MD simulations. MDTraj reads and writes trajectory data in a wide variety of commonly used formats. It provides a large number of trajectory analysis capabilities including minimal root-mean-square-deviation calculations, secondary structure assignment, and the extraction of common order parameters. The package has a strong focus on interoperability with the wider scientific Python ecosystem, bridging the gap between MD data and the rapidly growing collection of industry-standard statistical analysis and visualization tools in Python. MDTraj is a powerful and user-friendly software package that simplifies the analysis of MD data and connects these datasets with the modern interactive data science software ecosystem in Python. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

PubMed Central

McGibbon, Robert T.; Beauchamp, Kyle A.; Harrigan, Matthew P.; Klein, Christoph; Swails, Jason M.; Hernández, Carlos X.; Schwantes, Christian R.; Wang, Lee-Ping; Lane, Thomas J.; Pande, Vijay S.

2015-01-01

As molecular dynamics (MD) simulations continue to evolve into powerful computational tools for studying complex biomolecular systems, the necessity of flexible and easy-to-use software tools for the analysis of these simulations is growing. We have developed MDTraj, a modern, lightweight, and fast software package for analyzing MD simulations. MDTraj reads and writes trajectory data in a wide variety of commonly used formats. It provides a large number of trajectory analysis capabilities including minimal root-mean-square-deviation calculations, secondary structure assignment, and the extraction of common order parameters. The package has a strong focus on interoperability with the wider scientific Python ecosystem, bridging the gap between MD data and the rapidly growing collection of industry-standard statistical analysis and visualization tools in Python. MDTraj is a powerful and user-friendly software package that simplifies the analysis of MD data and connects these datasets with the modern interactive data science software ecosystem in Python. PMID:26488642

An automated method to find transition states using chemical dynamics simulations.

PubMed

Martínez-Núñez, Emilio

2015-02-05

A procedure to automatically find the transition states (TSs) of a molecular system (MS) is proposed. It has two components: high-energy chemical dynamics simulations (CDS), and an algorithm that analyzes the geometries along the trajectories to find reactive pathways. Two levels of electronic structure calculations are involved: a low level (LL) is used to integrate the trajectories and also to optimize the TSs, and a higher level (HL) is used to reoptimize the structures. The method has been tested in three MSs: formaldehyde, formic acid (FA), and vinyl cyanide (VC), using MOPAC2012 and Gaussian09 to run the LL and HL calculations, respectively. Both the efficacy and efficiency of the method are very good, with around 15 TS structures optimized every 10 trajectories, which gives a total of 7, 12, and 83 TSs for formaldehyde, FA, and VC, respectively. The use of CDS makes it a powerful tool to unveil possible nonstatistical behavior of the system under study. © 2014 Wiley Periodicals, Inc.

Encoding Time in Feedforward Trajectories of a Recurrent Neural Network Model.

PubMed

Hardy, N F; Buonomano, Dean V

2018-02-01

Brain activity evolves through time, creating trajectories of activity that underlie sensorimotor processing, behavior, and learning and memory. Therefore, understanding the temporal nature of neural dynamics is essential to understanding brain function and behavior. In vivo studies have demonstrated that sequential transient activation of neurons can encode time. However, it remains unclear whether these patterns emerge from feedforward network architectures or from recurrent networks and, furthermore, what role network structure plays in timing. We address these issues using a recurrent neural network (RNN) model with distinct populations of excitatory and inhibitory units. Consistent with experimental data, a single RNN could autonomously produce multiple functionally feedforward trajectories, thus potentially encoding multiple timed motor patterns lasting up to several seconds. Importantly, the model accounted for Weber's law, a hallmark of timing behavior. Analysis of network connectivity revealed that efficiency-a measure of network interconnectedness-decreased as the number of stored trajectories increased. Additionally, the balance of excitation (E) and inhibition (I) shifted toward excitation during each unit's activation time, generating the prediction that observed sequential activity relies on dynamic control of the E/I balance. Our results establish for the first time that the same RNN can generate multiple functionally feedforward patterns of activity as a result of dynamic shifts in the E/I balance imposed by the connectome of the RNN. We conclude that recurrent network architectures account for sequential neural activity, as well as for a fundamental signature of timing behavior: Weber's law.

Managing Contextual Complexity in an Experiential Learning Course: A Dynamic Systems Approach through the Identification of Turning Points in Students' Emotional Trajectories

PubMed Central

Nogueiras, Gloria; Kunnen, E. Saskia; Iborra, Alejandro

2017-01-01

This study adopts a dynamic systems approach to investigate how individuals successfully manage contextual complexity. To that end, we tracked individuals' emotional trajectories during a challenging training course, seeking qualitative changes–turning points—and we tested their relationship with the perceived complexity of the training. The research context was a 5-day higher education course based on process-oriented experiential learning, and the sample consisted of 17 students. The students used a five-point Likert scale to rate the intensity of 16 emotions and the complexity of the training on 8 measurement points. Monte Carlo permutation tests enabled to identify 30 turning points in the 272 emotional trajectories analyzed (17 students * 16 emotions each). 83% of the turning points indicated a change of pattern in the emotional trajectories that consisted of: (a) increasingly intense positive emotions or (b) decreasingly intense negative emotions. These turning points also coincided with particularly complex periods in the training as perceived by the participants (p = 0.003, and p = 0.001 respectively). The relationship between positively-trended turning points in the students' emotional trajectories and the complexity of the training may be interpreted as evidence of a successful management of the cognitive conflict arising from the clash between the students' prior ways of meaning-making and the challenging demands of the training. One of the strengths of this study is that it provides a relatively simple procedure for identifying turning points in developmental trajectories, which can be applied to various longitudinal experiences that are very common in educational and developmental contexts. Additionally, the findings contribute to sustaining that the assumption that complex contextual demands lead unfailingly to individuals' learning is incomplete. Instead, it is how individuals manage complexity which may or may not lead to learning. Finally, this study can also be considered a first step in research on the developmental potential of process-oriented experiential learning training. PMID:28515703

Containment control of networked autonomous underwater vehicles: A predictor-based neural DSC design.

PubMed

Peng, Zhouhua; Wang, Dan; Wang, Wei; Liu, Lu

2015-11-01

This paper investigates the containment control problem of networked autonomous underwater vehicles in the presence of model uncertainty and unknown ocean disturbances. A predictor-based neural dynamic surface control design method is presented to develop the distributed adaptive containment controllers, under which the trajectories of follower vehicles nearly converge to the dynamic convex hull spanned by multiple reference trajectories over a directed network. Prediction errors, rather than tracking errors, are used to update the neural adaptation laws, which are independent of the tracking error dynamics, resulting in two time-scales to govern the entire system. The stability property of the closed-loop network is established via Lyapunov analysis, and transient property is quantified in terms of L2 norms of the derivatives of neural weights, which are shown to be smaller than the classical neural dynamic surface control approach. Comparative studies are given to show the substantial improvements of the proposed new method. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Weak-field few-femtosecond VUV photodissociation dynamics of water isotopologues

NASA Astrophysics Data System (ADS)

Baumann, Arne; Bazzi, Sophia; Rompotis, Dimitrios; Schepp, Oliver; Azima, Armin; Wieland, Marek; Popova-Gorelova, Daria; Vendrell, Oriol; Santra, Robin; Drescher, Markus

2017-07-01

We present a joint experimental and theoretical study of the VUV-induced dynamics of H2O and its deuterated isotopologues in the first excited state (A ˜1B1 ) utilizing a VUV-pump VUV-probe scheme combined with a b initio classical trajectory calculations. 16-fs VUV pulses centered at 161 nm created by fifth-order harmonic generation are employed for single-shot pump-probe measurements. Combined with a precise determination of the VUV pulses' temporal profile, they provide the necessary temporal resolution to elucidate sub-10-fs dissociation dynamics in the 1+1 photon ionization time window. Ionization with a single VUV photon complements established strong-field ionization schemes by disclosing the molecular dynamics under perturbative conditions. Kinetic isotope effects derived from the pump-probe experiment are found to be in agreement with our by ab initio classical trajectory calculations, taking into account photoionization cross sections for the ground and first excited state of the water cation.

Tracking single Kv2.1 channels in live cells reveals anomalous subdiffusion and ergodicity breaking

NASA Astrophysics Data System (ADS)

Weigel, Aubrey; Simon, Blair; Tamkun, Michael; Krapf, Diego

2011-03-01

The dynamic organization of the plasma membrane is responsible for essential cellular processes, such as receptor trafficking and signaling. By studying the dynamics of transmembrane proteins a greater understanding of these processes as a whole can be achieved. It is broadly observed that the diffusion pattern of membrane protein displays anomalous subdiffusion. However, the mechanisms responsible for this behavior are not yet established. We explore the dynamics of the voltage gated potassium channel Kv2.1 by using single-particle tracking. We analyze Kv2.1 channel trajectories in terms of the time and ensemble distributions of square displacements. Our results reveal that all Kv2.1 channels experience anomalous subdiffusion and we observe that the Kv2.1 diffusion pattern is non-ergodic. We further investigated the role of the actin cytoskeleton in these channel dynamics by applying actin depolymerizing drugs. It is seen that with the breakdown of the actin cytoskeleton the Kv2.1 channel trajectories recover ergodicity.

Comment on "Spontaneous liquid-liquid phase separation of water"

NASA Astrophysics Data System (ADS)

Limmer, David T.; Chandler, David

2015-01-01

Yagasaki et al. [Phys. Rev. E 89, 020301 (2014), 10.1103/PhysRevE.89.020301] present results from a molecular dynamics trajectory illustrating coarsening of ice, which they interpret as evidence of transient coexistence between two distinct supercooled phases of liquid water. We point out that neither two distinct liquids nor criticality are demonstrated in this simulation study. Instead, the illustrated trajectory is consistent with coarsening behaviors analyzed and predicted in earlier work by others.

Dynamics and control of high area-to-mass ratio spacecraft and its application to geomagnetic exploration

NASA Astrophysics Data System (ADS)

Luo, Tong; Xu, Ming; Colombo, Camilla

2018-04-01

This paper studies the dynamics and control of a spacecraft, whose area-to-mass ratio is increased by deploying a reflective orientable surface such as a solar sail or a solar panel. The dynamical system describing the motion of a non-zero attitude angle high area-to-mass ratio spacecraft under the effects of the Earth's oblateness and solar radiation pressure admits the existence of equilibrium points, whose number and the eccentricity values depend on the semi-major axis, the area-to-mass ratio and the attitude angle of the spacecraft together. When two out of three parameters are fixed, five different dynamical topologies successively occur through varying the third parameter. Two of these five topologies are critical cases characterized by the appearance of the bifurcation phenomena. A conventional Hamiltonian structure-preserving (HSP) controller and an improved HSP controller are both constructed to stabilize the hyperbolic equilibrium point. Through the use of a conventional HSP controller, a bounded trajectory around the hyperbolic equilibrium point is obtained, while an improved HSP controller allows the spacecraft to easily transfer to the hyperbolic equilibrium point and to follow varying equilibrium points. A bifurcation control using topologies and changes of behavior areas can also stabilize a spacecraft near a hyperbolic equilibrium point. Natural trajectories around stable equilibrium point and these stabilized trajectories around hyperbolic equilibrium point can all be applied to geomagnetic exploration.

POLYANA-A tool for the calculation of molecular radial distribution functions based on Molecular Dynamics trajectories

NASA Astrophysics Data System (ADS)

Dimitroulis, Christos; Raptis, Theophanes; Raptis, Vasilios

2015-12-01

We present an application for the calculation of radial distribution functions for molecular centres of mass, based on trajectories generated by molecular simulation methods (Molecular Dynamics, Monte Carlo). When designing this application, the emphasis was placed on ease of use as well as ease of further development. In its current version, the program can read trajectories generated by the well-known DL_POLY package, but it can be easily extended to handle other formats. It is also very easy to 'hack' the program so it can compute intermolecular radial distribution functions for groups of interaction sites rather than whole molecules.

Preparation and Relaxation of Very Stable Glassy States of a Simulated Liquid

NASA Astrophysics Data System (ADS)

Jack, Robert L.; Hedges, Lester O.; Garrahan, Juan P.; Chandler, David

2011-12-01

We prepare metastable glassy states in a model glass former made of Lennard-Jones particles by sampling biased ensembles of trajectories with low dynamical activity. These trajectories form an inactive dynamical phase whose “fast” vibrational degrees of freedom are maintained at thermal equilibrium by contact with a heat bath, while the “slow” structural degrees of freedom are located in deep valleys of the energy landscape. We examine the relaxation to equilibrium and the vibrational properties of these metastable states. The glassy states we prepare by our trajectory sampling method are very stable to thermal fluctuations and also more mechanically rigid than low-temperature equilibrated configurations.

An Earth-Moon System Trajectory Design Reference Catalog

NASA Technical Reports Server (NTRS)

Folta, David; Bosanac, Natasha; Guzzetti, Davide; Howell, Kathleen C.

2014-01-01

As demonstrated by ongoing concept designs and the recent ARTEMIS mission, there is, currently, significant interest in exploiting three-body dynamics in the design of trajectories for both robotic and human missions within the Earth-Moon system. The concept of an interactive and 'dynamic' catalog of potential solutions in the Earth-Moon system is explored within this paper and analyzed as a framework to guide trajectory design. Characterizing and compiling periodic and quasi-periodic solutions that exist in the circular restricted three-body problem may offer faster and more efficient strategies for orbit design, while also delivering innovative mission design parameters for further examination.

Binary black hole merger dynamics and waveforms

NASA Technical Reports Server (NTRS)

Baker, John G.; Centrella, Joan; Choi, Dae-II; Koppitz, Michael; vanMeter, James

2006-01-01

We apply recently developed techniques for simulations of moving black holes to study dynamics and radiation generation in the last few orbits and merger of a binary black hole system. Our analysis produces a consistent picture from the gravitational wave forms and dynamical black hole trajectories for a set of simulations with black holes beginning on circular-orbit trajectories at a variety of initial separations. We find profound agreement at the level of 1% among the simulations for the last orbit, merger and ringdown, resulting in a final black hole with spin parameter a/m = 0.69. Consequently, we are confident that this part of our waveform result accurately represents the predictions from Einstein's General Relativity for the final burst of gravitational radiation resulting from the merger of an astrophysical system of equal-mass non-spinning black holes. We also find good agreement at a level of roughly 10% for the radiation generated in the preceding few orbits.

Stochastic algorithm for simulating gas transport coefficients

NASA Astrophysics Data System (ADS)

Rudyak, V. Ya.; Lezhnev, E. V.

2018-02-01

The aim of this paper is to create a molecular algorithm for modeling the transport processes in gases that will be more efficient than molecular dynamics method. To this end, the dynamics of molecules are modeled stochastically. In a rarefied gas, it is sufficient to consider the evolution of molecules only in the velocity space, whereas for a dense gas it is necessary to model the dynamics of molecules also in the physical space. Adequate integral characteristics of the studied system are obtained by averaging over a sufficiently large number of independent phase trajectories. The efficiency of the proposed algorithm was demonstrated by modeling the coefficients of self-diffusion and the viscosity of several gases. It was shown that the accuracy comparable to the experimental one can be obtained on a relatively small number of molecules. The modeling accuracy increases with the growth of used number of molecules and phase trajectories.

A Segment-Based Trajectory Similarity Measure in the Urban Transportation Systems.

PubMed

Mao, Yingchi; Zhong, Haishi; Xiao, Xianjian; Li, Xiaofang

2017-03-06

With the rapid spread of built-in GPS handheld smart devices, the trajectory data from GPS sensors has grown explosively. Trajectory data has spatio-temporal characteristics and rich information. Using trajectory data processing techniques can mine the patterns of human activities and the moving patterns of vehicles in the intelligent transportation systems. A trajectory similarity measure is one of the most important issues in trajectory data mining (clustering, classification, frequent pattern mining, etc.). Unfortunately, the main similarity measure algorithms with the trajectory data have been found to be inaccurate, highly sensitive of sampling methods, and have low robustness for the noise data. To solve the above problems, three distances and their corresponding computation methods are proposed in this paper. The point-segment distance can decrease the sensitivity of the point sampling methods. The prediction distance optimizes the temporal distance with the features of trajectory data. The segment-segment distance introduces the trajectory shape factor into the similarity measurement to improve the accuracy. The three kinds of distance are integrated with the traditional dynamic time warping algorithm (DTW) algorithm to propose a new segment-based dynamic time warping algorithm (SDTW). The experimental results show that the SDTW algorithm can exhibit about 57%, 86%, and 31% better accuracy than the longest common subsequence algorithm (LCSS), and edit distance on real sequence algorithm (EDR) , and DTW, respectively, and that the sensitivity to the noise data is lower than that those algorithms.

Decentralized adaptive control of manipulators - Theory, simulation, and experimentation

NASA Technical Reports Server (NTRS)

Seraji, Homayoun

1989-01-01

The author presents a simple decentralized adaptive-control scheme for multijoint robot manipulators based on the independent joint control concept. The control objective is to achieve accurate tracking of desired joint trajectories. The proposed control scheme does not use the complex manipulator dynamic model, and each joint is controlled simply by a PID (proportional-integral-derivative) feedback controller and a position-velocity-acceleration feedforward controller, both with adjustable gains. Simulation results are given for a two-link direct-drive manipulator under adaptive independent joint control. The results illustrate trajectory tracking under coupled dynamics and varying payload. The proposed scheme is implemented on a MicroVAX II computer for motion control of the three major joints of a PUMA 560 arm. Experimental results are presented to demonstrate that trajectory tracking is achieved despite coupled nonlinear joint dynamics.

Cyclohexane isomerization. Unimolecular dynamics of the twist-boat intermediate.

PubMed

Kakhiani, Khatuna; Lourderaj, Upakarasamy; Hu, Wenfang; Birney, David; Hase, William L

2009-04-23

Direct dynamics simulations were performed at the HF/6-31G level of theory to investigate the intramolecular and unimolecuar dynamics of the twist-boat (TB) intermediate on the cyclohexane potential energy surface (PES). Additional calculations were performed at the MP2/aug-cc-pVDZ level of theory to further characterize the PES's stationary points. The trajectories were initiated at the C(1) and C(2) half-chair transition states (TSs) connecting a chair conformer with a TB intermediate, via an intrinsic reaction coordinate (IRC). Energy was added in accord with a microcanonical ensemble at the average energy for experiments at 263 K. Important nontransition state theory (TST), non-IRC, and non-RRKM dynamics were observed in the simulations. Trajectories initially directed toward the chair conformer had a high probability of recrossing the TS, with approximately 30% forming a TB intermediate instead of accessing the potential energy well for the conformer. The TB intermediate initially formed was not necessarily the one connected to the TS via the IRC. Of the trajectories initiated at the C(2) half-chair TS and initially directed toward the chair conformer, 35% formed a TB intermediate instead of the chair conformer. Also, of the trajectories forming a TB intermediate, only 16% formed the TB intermediate connected with the C(2) TS via the IRC. Up to eight consecutive TB --> TB isomerizations were followed, and non-RRKM behavior was observed in their dynamics. A TB can isomerize to two different TBs, one by a clockwise rotation of C-C-C-C dihedral angles and the other by a counterclockwise rotation. In contrast to RRKM theory, which predicts equivalent probabilities for these rotations, the trajectory dynamics show they are not equivalent and depend on whether the C(1) or C(2) half-chair TS is initially excited. Non-RRKM dynamics is also observed in the isomerization of the TB intermediates to the chair conformers. RRKM theory assumes equivalent probabilities for isomerizing to the two chair conformers. In contrast, for the first and following TB intermediate formed, there is a preference to isomerize to the chair conformer connected to the TS at which the trajectories were initiated. For the first TB intermediate formed, approximately 30% of the isomerization is to a chair conformer, but this fraction decreases for the later formed TB intermediates and becomes approximately 10% for the eighth consecutive TB intermediate formed.

Anosov C-systems and random number generators

NASA Astrophysics Data System (ADS)

Savvidy, G. K.

2016-08-01

We further develop our previous proposal to use hyperbolic Anosov C-systems to generate pseudorandom numbers and to use them for efficient Monte Carlo calculations in high energy particle physics. All trajectories of hyperbolic dynamical systems are exponentially unstable, and C-systems therefore have mixing of all orders, a countable Lebesgue spectrum, and a positive Kolmogorov entropy. These exceptional ergodic properties follow from the C-condition introduced by Anosov. This condition defines a rich class of dynamical systems forming an open set in the space of all dynamical systems. An important property of C-systems is that they have a countable set of everywhere dense periodic trajectories and their density increases exponentially with entropy. Of special interest are the C-systems defined on higher-dimensional tori. Such C-systems are excellent candidates for generating pseudorandom numbers that can be used in Monte Carlo calculations. An efficient algorithm was recently constructed that allows generating long C-system trajectories very rapidly. These trajectories have good statistical properties and can be used for calculations in quantum chromodynamics and in high energy particle physics.

Metadynamics Enhanced Markov Modeling of Protein Dynamics.

PubMed

Biswas, Mithun; Lickert, Benjamin; Stock, Gerhard

2018-05-31

Enhanced sampling techniques represent a versatile approach to account for rare conformational transitions in biomolecules. A particularly promising strategy is to combine massive parallel computing of short molecular dynamics (MD) trajectories (to sample the free energy landscape of the system) with Markov state modeling (to rebuild the kinetics from the sampled data). To obtain well-distributed initial structures for the short trajectories, it is proposed to employ metadynamics MD, which quickly sweeps through the entire free energy landscape of interest. Being only used to generate initial conformations, the implementation of metadynamics can be simple and fast. The conformational dynamics of helical peptide Aib 9 is adopted to discuss various technical issues of the approach, including metadynamics settings, minimal number and length of short MD trajectories, and the validation of the resulting Markov models. Using metadynamics to launch some thousands of nanosecond trajectories, several Markov state models are constructed that reveal that previous unbiased MD simulations of in total 16 μs length cannot provide correct equilibrium populations or qualitative features of the pathway distribution of the short peptide.

Simulations of High Speed Fragment Trajectories

NASA Astrophysics Data System (ADS)

Yeh, Peter; Attaway, Stephen; Arunajatesan, Srinivasan; Fisher, Travis

2017-11-01

Flying shrapnel from an explosion are capable of traveling at supersonic speeds and distances much farther than expected due to aerodynamic interactions. Predicting the trajectories and stable tumbling modes of arbitrary shaped fragments is a fundamental problem applicable to range safety calculations, damage assessment, and military technology. Traditional approaches rely on characterizing fragment flight using a single drag coefficient, which may be inaccurate for fragments with large aspect ratios. In our work we develop a procedure to simulate trajectories of arbitrary shaped fragments with higher fidelity using high performance computing. We employ a two-step approach in which the force and moment coefficients are first computed as a function of orientation using compressible computational fluid dynamics. The force and moment data are then input into a six-degree-of-freedom rigid body dynamics solver to integrate trajectories in time. Results of these high fidelity simulations allow us to further understand the flight dynamics and tumbling modes of a single fragment. Furthermore, we use these results to determine the validity and uncertainty of inexpensive methods such as the single drag coefficient model.

Refining Markov state models for conformational dynamics using ensemble-averaged data and time-series trajectories

NASA Astrophysics Data System (ADS)

Matsunaga, Y.; Sugita, Y.

2018-06-01

A data-driven modeling scheme is proposed for conformational dynamics of biomolecules based on molecular dynamics (MD) simulations and experimental measurements. In this scheme, an initial Markov State Model (MSM) is constructed from MD simulation trajectories, and then, the MSM parameters are refined using experimental measurements through machine learning techniques. The second step can reduce the bias of MD simulation results due to inaccurate force-field parameters. Either time-series trajectories or ensemble-averaged data are available as a training data set in the scheme. Using a coarse-grained model of a dye-labeled polyproline-20, we compare the performance of machine learning estimations from the two types of training data sets. Machine learning from time-series data could provide the equilibrium populations of conformational states as well as their transition probabilities. It estimates hidden conformational states in more robust ways compared to that from ensemble-averaged data although there are limitations in estimating the transition probabilities between minor states. We discuss how to use the machine learning scheme for various experimental measurements including single-molecule time-series trajectories.

Tracking control of colloidal particles through non-homogeneous stationary flows

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

Híjar, Humberto, E-mail: humberto.hijar@lasallistas.org.mx

2013-12-21

We consider the problem of controlling the trajectory of a single colloidal particle in a fluid with steady non-homogeneous flow. We use a Langevin equation to describe the dynamics of this particle, where the friction term is assumed to be given by the Faxén's Theorem for the force on a sphere immersed in a stationary flow. We use this description to propose an explicit control force field to be applied on the particle such that it will follow asymptotically any given desired trajectory, starting from an arbitrary initial condition. We show that the dynamics of the controlled particle can bemore » mapped into a set of stochastic harmonic oscillators and that the velocity gradient of the solvent induces an asymmetric coupling between them. We study the particular case of a Brownian particle controlled through a plane Couette flow and show explicitly that the velocity gradient of the solvent renders the dynamics non-stationary and non-reversible in time. We quantify this effect in terms of the correlation functions for the position of the controlled particle, which turn out to exhibit contributions depending exclusively on the non-equilibrium character of the state of the solvent. In order to test the validity of our model, we perform simulations of the controlled particle moving in a simple shear flow, using a hybrid method combining molecular dynamics and multi-particle collision dynamics. We confirm numerically that the proposed guiding force allows for controlling the trajectory of the micro-sized particle by obligating it to follow diverse specific trajectories in fluids with homogeneous shear rates of different strengths. In addition, we find that the non-equilibrium correlation functions in simulations exhibit the same qualitative behavior predicted by the model, thus revealing the presence of the asymmetric non-equilibrium coupling mechanism induced by the velocity gradient.« less

Emerging High School Students' Problem Solving Trajectories Based on the Use of Dynamic Software

ERIC Educational Resources Information Center

Santos-Trigo, Manuel; Cristobal-Escalante, Cesar

2008-01-01

This study documents problem solving approaches that high school students develop as a result of using systematically Cabri-Geometry software. Results show that the use of the software becomes an important tool for students to construct dynamic representations of the problems that were used to identify and examine different mathematical relations.…

Dynamic Adaptation in Child-Adult Language Interaction

ERIC Educational Resources Information Center

van Dijk, Marijn; van Geert, Paul; Korecky-Kröll, Katharina; Maillochon, Isabelle; Laaha, Sabine; Dressler, Wolfgang U.; Bassano, Dominique

2013-01-01

When speaking to young children, adults adapt their language to that of the child. In this article, we suggest that this child-directed speech (CDS) is the result of a transactional process of dynamic adaptation between the child and the adult. The study compares developmental trajectories of three children to those of the CDS of their caregivers.…

Timing of transients: quantifying reaching times and transient behavior in complex systems

NASA Astrophysics Data System (ADS)

Kittel, Tim; Heitzig, Jobst; Webster, Kevin; Kurths, Jürgen

2017-08-01

In dynamical systems, one may ask how long it takes for a trajectory to reach the attractor, i.e. how long it spends in the transient phase. Although for a single trajectory the mathematically precise answer may be infinity, it still makes sense to compare different trajectories and quantify which of them approaches the attractor earlier. In this article, we categorize several problems of quantifying such transient times. To treat them, we propose two metrics, area under distance curve and regularized reaching time, that capture two complementary aspects of transient dynamics. The first, area under distance curve, is the distance of the trajectory to the attractor integrated over time. It measures which trajectories are ‘reluctant’, i.e. stay distant from the attractor for long, or ‘eager’ to approach it right away. Regularized reaching time, on the other hand, quantifies the additional time (positive or negative) that a trajectory starting at a chosen initial condition needs to approach the attractor as compared to some reference trajectory. A positive or negative value means that it approaches the attractor by this much ‘earlier’ or ‘later’ than the reference, respectively. We demonstrated their substantial potential for application with multiple paradigmatic examples uncovering new features.

BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data

PubMed Central

Hospital, Adam; Andrio, Pau; Cugnasco, Cesare; Codo, Laia; Becerra, Yolanda; Dans, Pablo D.; Battistini, Federica; Torres, Jordi; Goñi, Ramón; Orozco, Modesto; Gelpí, Josep Ll.

2016-01-01

Molecular dynamics simulation (MD) is, just behind genomics, the bioinformatics tool that generates the largest amounts of data, and that is using the largest amount of CPU time in supercomputing centres. MD trajectories are obtained after months of calculations, analysed in situ, and in practice forgotten. Several projects to generate stable trajectory databases have been developed for proteins, but no equivalence exists in the nucleic acids world. We present here a novel database system to store MD trajectories and analyses of nucleic acids. The initial data set available consists mainly of the benchmark of the new molecular dynamics force-field, parmBSC1. It contains 156 simulations, with over 120 μs of total simulation time. A deposition protocol is available to accept the submission of new trajectory data. The database is based on the combination of two NoSQL engines, Cassandra for storing trajectories and MongoDB to store analysis results and simulation metadata. The analyses available include backbone geometries, helical analysis, NMR observables and a variety of mechanical analyses. Individual trajectories and combined meta-trajectories can be downloaded from the portal. The system is accessible through http://mmb.irbbarcelona.org/BIGNASim/. Supplementary Material is also available on-line at http://mmb.irbbarcelona.org/BIGNASim/SuppMaterial/. PMID:26612862

Long Dynamics Simulations of Proteins Using Atomistic Force Fields and a Continuum Representation of Solvent Effects: Calculation of Structural and Dynamic Properties

PubMed Central

Li, Xianfeng; Hassan, Sergio A.; Mehler, Ernest L.

2006-01-01

Long dynamics simulations were carried out on the B1 immunoglobulin-binding domain of streptococcal protein G (ProtG) and bovine pancreatic trypsin inhibitor (BPTI) using atomistic descriptions of the proteins and a continuum representation of solvent effects. To mimic frictional and random collision effects, Langevin dynamics (LD) were used. The main goal of the calculations was to explore the stability of tens-of-nanosecond trajectories as generated by this molecular mechanics approximation and to analyze in detail structural and dynamical properties. Conformational fluctuations, order parameters, cross correlation matrices, residue solvent accessibilities, pKa values of titratable groups, and hydrogen-bonding (HB) patterns were calculated from all of the trajectories and compared with available experimental data. The simulations comprised over 40 ns per trajectory for ProtG and over 30 ns per trajectory for BPTI. For comparison, explicit water molecular dynamics simulations (EW/MD) of 3 ns and 4 ns, respectively, were also carried out. Two continuum simulations were performed on each protein using the CHARMM program, one with the all-atom PAR22 representation of the protein force field (here referred to as PAR22/LD simulations) and the other with the modifications introduced by the recently developed CMAP potential (CMAP/LD simulations). The explicit solvent simulations were performed with PAR22 only. Solvent effects are described by a continuum model based on screened Coulomb potentials (SCP) reported earlier, i.e., the SCP-based implicit solvent model (SCP–ISM). For ProtG, both the PAR22/LD and the CMAP/LD 40-ns trajectories were stable, yielding Cα root mean square deviations (RMSD) of about 1.0 and 0.8 Å respectively along the entire simulation time, compared to 0.8 Å for the EW/MD simulation. For BPTI, only the CMAP/LD trajectory was stable for the entire 30-ns simulation, with a Cα RMSD of ≈ 1.4 Å, while the PAR22/LD trajectory became unstable early in the simulation, reaching a Cα RMSD of about 2.7 Å and remaining at this value until the end of the simulation; the Cα RMSD of the EW/MD simulation was about 1.5 Å. The source of the instabilities of the BPTI trajectories in the PAR22/LD simulations was explored by an analysis of the backbone torsion angles. To further validate the findings from this analysis of BPTI, a 35-ns SCP–ISM simulation of Ubiquitin (Ubq) was carried out. For this protein, the CMAP/LD simulation was stable for the entire simulation time (Cα RMSD of ≈1.0 Å), while the PAR22/LD trajectory showed a trend similar to that in BPTI, reaching a Cα RMSD of ≈1.5 Å at 7 ns. All the calculated properties were found to be in agreement with the corresponding experimental values, although local deviations were also observed. HB patterns were also well reproduced by all the continuum solvent simulations with the exception of solvent-exposed side chain–side chain (sc–sc) HB in ProtG, where several of the HB interactions observed in the crystal structure and in the EW/MD simulation were lost. The overall analysis reported in this work suggests that the combination of an atomistic representation of a protein with a CMAP/CHARMM force field and a continuum representation of solvent effects such as the SCP–ISM provides a good description of structural and dynamic properties obtained from long computer simulations. Although the SCP–ISM simulations (CMAP/LD) reported here were shown to be stable and the properties well reproduced, further refinement is needed to attain a level of accuracy suitable for more challenging biological applications, particularly the study of protein–protein interactions. PMID:15959866

Sensitivity of peptide conformational dynamics on clustering of a classical molecular dynamics trajectory

NASA Astrophysics Data System (ADS)

Jensen, Christian H.; Nerukh, Dmitry; Glen, Robert C.

2008-03-01

We investigate the sensitivity of a Markov model with states and transition probabilities obtained from clustering a molecular dynamics trajectory. We have examined a 500ns molecular dynamics trajectory of the peptide valine-proline-alanine-leucine in explicit water. The sensitivity is quantified by varying the boundaries of the clusters and investigating the resulting variation in transition probabilities and the average transition time between states. In this way, we represent the effect of clustering using different clustering algorithms. It is found that in terms of the investigated quantities, the peptide dynamics described by the Markov model is sensitive to the clustering; in particular, the average transition times are found to vary up to 46%. Moreover, inclusion of nonphysical sparsely populated clusters can lead to serious errors of up to 814%. In the investigation, the time step used in the transition matrix is determined by the minimum time scale on which the system behaves approximately Markovian. This time step is found to be about 100ps. It is concluded that the description of peptide dynamics with transition matrices should be performed with care, and that using standard clustering algorithms to obtain states and transition probabilities may not always produce reliable results.

Statistical modelling of subdiffusive dynamics in the cytoplasm of living cells: A FARIMA approach

NASA Astrophysics Data System (ADS)

Burnecki, K.; Muszkieta, M.; Sikora, G.; Weron, A.

2012-04-01

Golding and Cox (Phys. Rev. Lett., 96 (2006) 098102) tracked the motion of individual fluorescently labelled mRNA molecules inside live E. coli cells. They found that in the set of 23 trajectories from 3 different experiments, the automatically recognized motion is subdiffusive and published an intriguing microscopy video. Here, we extract the corresponding time series from this video by image segmentation method and present its detailed statistical analysis. We find that this trajectory was not included in the data set already studied and has different statistical properties. It is best fitted by a fractional autoregressive integrated moving average (FARIMA) process with the normal-inverse Gaussian (NIG) noise and the negative memory. In contrast to earlier studies, this shows that the fractional Brownian motion is not the best model for the dynamics documented in this video.

Understanding transient uncoupling induced synchronization through modified dynamic coupling

NASA Astrophysics Data System (ADS)

Ghosh, Anupam; Godara, Prakhar; Chakraborty, Sagar

2018-05-01

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

Mobbing: a problem in flocking and deterrence

NASA Astrophysics Data System (ADS)

Elias Tousley, M.; Glaze, Owen; Schall, Anna; Amador Kane, Suzanne

2010-03-01

We present experimental and theoretical studies of one type of mobbing behavior in which swarms of prey animals (e.g., tree swallows) harass a predator (e.g., a red-tailed hawk). Empirical field data were collected for tree swallows mobbing a fixed model predator; previous studies have established that this experimental design provokes the same response as actual ``perch-and-wait'' predator behavior. We extended these earlier studies using stereometric video to record the three-dimensional trajectories of prey birds and mobbing cries; we also analyzed single-angle video data taken of crows mobbing red-tailed hawks in flight. Video recordings of red-tailed hawk flight were filmed and analyzed to establish the dynamics of potential predator attacks. The trajectory analysis employed particle-tracking methods and statistical analyses to understand and model the dynamical rules governing this behavior. Swarming behavior during mobbing exhibited a high degree of periodicity and coordination both for fixed predator and in-flight mobbing attacks. The trajectories of individual mobbing birds were analyzed as a random walk superimposed on an approximately elliptical flightpath. Computer simulation studies reproduce several aspects of this behavior, in particular explaining how the mobbing strategy employed by prey birds minimizes the risk of hawk predation while optimizing the frequency of harassing attacks.

An optimal control strategy for two-dimensional motion camouflage with non-holonimic constraints.

PubMed

Rañó, Iñaki

2012-07-01

Motion camouflage is a stealth behaviour observed both in hover-flies and in dragonflies. Existing controllers for mimicking motion camouflage generate this behaviour on an empirical basis or without considering the kinematic motion restrictions present in animal trajectories. This study summarises our formal contributions to solve the generation of motion camouflage as a non-linear optimal control problem. The dynamics of the system capture the kinematic restrictions to motion of the agents, while the performance index ensures camouflage trajectories. An extensive set of simulations support the technique, and a novel analysis of the obtained trajectories contributes to our understanding of possible mechanisms to obtain sensor based motion camouflage, for instance, in mobile robots.

Spaceflight dynamics 1993; AAS/NASA International Symposium, 8th, Greenbelt, MD, Apr. 26-30, 1993, Parts 1 & 2

NASA Technical Reports Server (NTRS)

Teles, Jerome (Editor); Samii, Mina V. (Editor)

1993-01-01

A conference on spaceflight dynamics produced papers in the areas of orbit determination, spacecraft tracking, autonomous navigation, the Deep Space Program Science Experiment Mission (DSPSE), the Global Positioning System, attitude control, geostationary satellites, interplanetary missions and trajectories, applications of estimation theory, flight dynamics systems, low-Earth orbit missions, orbital mechanics, mission experience in attitude dynamics, mission experience in sensor studies, attitude dynamics theory and simulations, and orbit-related experience. These papaers covered NASA, European, Russian, Japanese, Chinese, and Brazilian space programs and hardware.

Interplanetary program to optimize simulated trajectories (IPOST). Volume 4: Sample cases

NASA Technical Reports Server (NTRS)

Hong, P. E.; Kent, P. D; Olson, D. W.; Vallado, C. A.

1992-01-01

The Interplanetary Program to Optimize Simulated Trajectories (IPOST) is intended to support many analysis phases, from early interplanetary feasibility studies through spacecraft development and operations. The IPOST output provides information for sizing and understanding mission impacts related to propulsion, guidance, communications, sensor/actuators, payload, and other dynamic and geometric environments. IPOST models three degree of freedom trajectory events, such as launch/ascent, orbital coast, propulsive maneuvering (impulsive and finite burn), gravity assist, and atmospheric entry. Trajectory propagation is performed using a choice of Cowell, Encke, Multiconic, Onestep, or Conic methods. The user identifies a desired sequence of trajectory events, and selects which parameters are independent (controls) and dependent (targets), as well as other constraints and the cost function. Targeting and optimization are performed using the Standard NPSOL algorithm. The IPOST structure allows sub-problems within a master optimization problem to aid in the general constrained parameter optimization solution. An alternate optimization method uses implicit simulation and collocation techniques.

Characterizing the pain score trajectories of hospitalized adult medical and surgical patients: a retrospective cohort study.

PubMed

Kannampallil, Thomas; Galanter, William L; Falck, Suzanne; Gaunt, Michael J; Gibbons, Robert D; McNutt, Robert; Odwazny, Richard; Schiff, Gordon; Vaida, Allen J; Wilkie, Diana J; Lambert, Bruce L

2016-12-01

Pain care for hospitalized patients is often suboptimal. Representing pain scores as a graphical trajectory may provide insights into the understanding and treatment of pain. We describe a 1-year, retrospective, observational study to characterize pain trajectories of hospitalized adults during the first 48 hours after admission at an urban academic medical center. Using a subgroup of patients who presented with significant pain (pain score >4; n = 7762 encounters), we characterized pain trajectories and measured area under the curve, slope of the trajectory for the first 2 hours after admission, and pain intensity at plateau. We used mixed-effects regression to assess the association between pain score and sociodemographics (age, race, and gender), pain medication orders (opioids, nonopioids, and no medications), and medical service (obstetrics, psychiatry, surgery, sickle cell, intensive care unit, and medicine). K-means clustering was used to identify patient subgroups with similar trajectories. Trajectories showed differences based on race, gender, service, and initial pain score. Patients presumed to have dissimilar pain experiences (eg, sickle vs obstetrical) had markedly different pain trajectories. Patients with higher initial pain had a more rapid reduction during their first 2 hours of treatment. Pain reduction achieved in the 48 hours after admission was approximately 50% of the initial pain, regardless of the initial pain. Most patients' pain failed to fully resolve, plateauing at a pain score of 4 or greater. Visualizing pain scores as graphical trajectories illustrates the dynamic variability in pain, highlighting pain responses over a period of observation, and may yield new insights for quality improvement and research.

Measuring and Modeling Behavioral Decision Dynamics in Collective Evacuation

DTIC Science & Technology

2014-02-10

Phit (t), was generated in advance from a well-defined stochastic process previously studied in [67]; details of its construction can be found there. The...value of Phit (t) on the Disaster Tab which is updated every second, Figure 1. Overview of behavioral network science experiment. A: Experimental setup at...Volume 9 | Issue 2 | e87380 7 however the overall trajectory is not shown. There were a total of 23 Phit (t) trajectories used in the experiment, with many

A New Theory of Trajectory Design and NASA's Vision

NASA Technical Reports Server (NTRS)

Folta, David

2006-01-01

This new theory is defined as the use of chaos to design trajectories and orbits that can be used to meet complex mission goals. The benefits are; a) minimizes fuel costs; b) optimizes trajectory profiles; c) provides non-standard and new orbit designs; and d) mitigates operational risks. Other synonymous terms include dynamical systems, invariant manifolds, capture orbits and ballistic orbits.

Operator-assisted planning and execution of proximity operations subject to operational constraints

NASA Technical Reports Server (NTRS)

Grunwald, Arthur J.; Ellis, Stephen R.

1991-01-01

Future multi-vehicle operations will involve multiple scenarios that will require a planning tool for the rapid, interactive creation of fuel-efficient trajectories. The planning process must deal with higher-order, non-linear processes involving dynamics that are often counter-intuitive. The optimization of resulting trajectories can be difficult to envision. An interaction proximity operations planning system is being developed to provide the operator with easily interpreted visual feedback of trajectories and constraints. This system is hosted on an IRIS 4D graphics platform and utilizes the Clohessy-Wiltshire equations. An inverse dynamics algorithm is used to remove non-linearities while the trajectory maneuvers are decoupled and separated in a geometric spreadsheet. The operator has direct control of the position and time of trajectory waypoints to achieve the desired end conditions. Graphics provide the operator with visualization of satisfying operational constraints such as structural clearance, plume impingement, approach velocity limits, and arrival or departure corridors. Primer vector theory is combined with graphical presentation to improve operator understanding of suggested automated system solutions and to allow the operator to review, edit, or provide corrective action to the trajectory plan.

Testosterone Trajectories and Reference Ranges in a Large Longitudinal Sample of Male Adolescents

PubMed Central

Khairullah, Ammar; Cousino Klein, Laura; Ingle, Suzanne M.; May, Margaret T.; Whetzel, Courtney A.; Susman, Elizabeth J.; Paus, Tomáš

2014-01-01

Purpose Pubertal dynamics plays an important role in physical and psychological development of children and adolescents. We aim to provide reference ranges of plasma testosterone in a large longitudinal sample. Furthermore, we describe a measure of testosterone trajectories during adolescence that can be used in future investigations of development. Methods We carried out longitudinal measurements of plasma testosterone in 2,216 samples obtained from 513 males (9 to 17 years of age) from the Avon Longitudinal Study of Parents and Children. We used integration of a model fitted to each participant’s testosterone trajectory to calculate a measure of average exposure to testosterone over adolescence. We pooled these data with corresponding values reported in the literature to provide a reference range of testosterone levels in males between the ages of 6 and 19 years. Results The average values of total testosterone in the ALSPAC sample range from 0.82 nmol/L (Standard Deviation [SD]: 0.09) at 9 years of age to 16.5 (SD: 2.65) nmol/L at 17 years of age; these values are congruent with other reports in the literature. The average exposure to testosterone is associated with different features of testosterone trajectories such as Peak Testosterone Change, Age at Peak Testosterone Change, and Testosterone at 17 years of age as well as the timing of the growth spurt during puberty. Conclusions The average exposure to testosterone is a useful measure for future investigations using testosterone trajectories to examine pubertal dynamics. PMID:25268961

Quantum Stochastic Trajectories: The Fokker-Planck-Bohm Equation Driven by the Reduced Density Matrix.

PubMed

Avanzini, Francesco; Moro, Giorgio J

2018-03-15

The quantum molecular trajectory is the deterministic trajectory, arising from the Bohm theory, that describes the instantaneous positions of the nuclei of molecules by assuring the agreement with the predictions of quantum mechanics. Therefore, it provides the suitable framework for representing the geometry and the motions of molecules without neglecting their quantum nature. However, the quantum molecular trajectory is extremely demanding from the computational point of view, and this strongly limits its applications. To overcome such a drawback, we derive a stochastic representation of the quantum molecular trajectory, through projection operator techniques, for the degrees of freedom of an open quantum system. The resulting Fokker-Planck operator is parametrically dependent upon the reduced density matrix of the open system. Because of the pilot role played by the reduced density matrix, this stochastic approach is able to represent accurately the main features of the open system motions both at equilibrium and out of equilibrium with the environment. To verify this procedure, the predictions of the stochastic and deterministic representation are compared for a model system of six interacting harmonic oscillators, where one oscillator is taken as the open quantum system of interest. The undeniable advantage of the stochastic approach is that of providing a simplified and self-contained representation of the dynamics of the open system coordinates. Furthermore, it can be employed to study the out of equilibrium dynamics and the relaxation of quantum molecular motions during photoinduced processes, like photoinduced conformational changes and proton transfers.

Dynamic finite element simulation of dental prostheses during chewing using muscle equivalent force and trajectory approaches.

PubMed

Razaghi, Reza; Biglari, Hasan; Karimi, Alireza

2017-05-01

The long-term application of dental prostheses inside the bone has a narrow relation to its biomechanical performance. Chewing is the most complicated function of a dental implant as it implements different forces to the implant at various directions. Therefore, a suitable holistic modelling of the jaw bone, implant, food, muscles, and their forces would be deemed significant to figure out the durability as well as functionality of a dental implant while chewing. So far, two approaches have been proposed to employ the muscle forces into the Finite Element (FE) models, i.e. Muscle Equivalent Force (MEF) and trajectory. This study aimed at propounding a new three-dimensional dynamic FE model based on two muscle forces modelling approaches in order to investigate the stresses and deformations in the dental prosthesis as well as maxillary bone during the time of chewing a cornflakes bio. The results revealed that both contact and the maximum von Mises stress in the implant and bones for trajectory approach considerably exceed those of the MEF. The maximum stresses, moreover, are located around the neck of implant which should be both clinically and structurally strong enough to functionally maintain the bone-implant interface. In addition, a higher displacement due to compressive load is observed for the implant head in trajectory approach. The results suggest the benefits provided by trajectory approach since MEF approach would significantly underestimate the stresses and deformations in both the dental prosthesis and bones.

Intermittency and dynamical Lee-Yang zeros of open quantum systems.

PubMed

Hickey, James M; Flindt, Christian; Garrahan, Juan P

2014-12-01

We use high-order cumulants to investigate the Lee-Yang zeros of generating functions of dynamical observables in open quantum systems. At long times the generating functions take on a large-deviation form with singularities of the associated cumulant generating functions-or dynamical free energies-signifying phase transitions in the ensemble of dynamical trajectories. We consider a driven three-level system as well as the dissipative Ising model. Both systems exhibit dynamical intermittency in the statistics of quantum jumps. From the short-time behavior of the dynamical Lee-Yang zeros, we identify critical values of the counting field which we attribute to the observed intermittency and dynamical phase coexistence. Furthermore, for the dissipative Ising model we construct a trajectory phase diagram and estimate the value of the transverse field where the stationary state changes from being ferromagnetic (inactive) to paramagnetic (active).

Direct dynamics simulation of dioxetane formation and decomposition via the singlet .O-O-CH2-CH2. biradical: Non-RRKM dynamics

NASA Astrophysics Data System (ADS)

Sun, Rui; Park, Kyoyeon; de Jong, Wibe A.; Lischka, Hans; Windus, Theresa L.; Hase, William L.

2012-07-01

Electronic structure calculations and direct chemical dynamics simulations are used to study the formation and decomposition of dioxetane on its ground state singlet potential energy surface. The stationary points for 1O2 + C2H4, the singlet .O-O-CH2-CH2. biradical, the transition state (TS) connecting this biradical with dioxetane, and the two transition states and gauche .O-CH2-CH2-O. biradical connecting dioxetane with the formaldehyde product molecules are investigated at different levels of electronic structure theory including UB3LYP, UMP2, MRMP2, and CASSCF and a range of basis sets. The UB3LYP/6-31G* method was found to give representative energies for the reactive system and was used as a model for the simulations. UB3LYP/6-31G* direct dynamics trajectories were initiated at the TS connecting the .O-O-CH2-CH2. biradical and dioxetane by sampling the TS's vibrational energy levels, and rotational and reaction coordinate energies, with Boltzmann distributions at 300, 1000, and 1500 K. This corresponds to the transition state theory model for trajectories that pass the TS. The trajectories were directed randomly towards both the biradical and dioxetane. A small fraction of the trajectories directed towards the biradical recrossed the TS and formed dioxetane. The remainder formed 1O2 + C2H4 and of these ˜ 40% went directly from the TS to 1O2 + C2H4 without getting trapped and forming an intermediate in the .O-O-CH2-CH2. biradical potential energy minimum, a non-statistical result. The dioxetane molecules which are formed dissociate to two formaldehyde molecules with a rate constant two orders of magnitude smaller than that predicted by Rice-Ramsperger-Kassel-Marcus theory. The reaction dynamics from dioxetane to the formaldehyde molecules do not follow the intrinsic reaction coordinate or involve trapping in the gauche .O-CH2-CH2-O. biradical potential energy minimum. Important non-statistical dynamics are exhibited for this reactive system.

Simulation of wave packet tunneling of interacting identical particles

NASA Astrophysics Data System (ADS)

Lozovik, Yu. E.; Filinov, A. V.; Arkhipov, A. S.

2003-02-01

We demonstrate a different method of simulation of nonstationary quantum processes, considering the tunneling of two interacting identical particles, represented by wave packets. The used method of quantum molecular dynamics (WMD) is based on the Wigner representation of quantum mechanics. In the context of this method ensembles of classical trajectories are used to solve quantum Wigner-Liouville equation. These classical trajectories obey Hamiltonian-like equations, where the effective potential consists of the usual classical term and the quantum term, which depends on the Wigner function and its derivatives. The quantum term is calculated using local distribution of trajectories in phase space, therefore, classical trajectories are not independent, contrary to classical molecular dynamics. The developed WMD method takes into account the influence of exchange and interaction between particles. The role of direct and exchange interactions in tunneling is analyzed. The tunneling times for interacting particles are calculated.

Non-adiabatic molecular dynamics with complex quantum trajectories. I. The diabatic representation.

PubMed

Zamstein, Noa; Tannor, David J

2012-12-14

We extend a recently developed quantum trajectory method [Y. Goldfarb, I. Degani, and D. J. Tannor, J. Chem. Phys. 125, 231103 (2006)] to treat non-adiabatic transitions. Each trajectory evolves on a single surface according to Newton's laws with complex positions and momenta. The transfer of amplitude between surfaces stems naturally from the equations of motion, without the need for surface hopping. In this paper we derive the equations of motion and show results in the diabatic representation, which is rarely used in trajectory methods for calculating non-adiabatic dynamics. We apply our method to the first two benchmark models introduced by Tully [J. Chem. Phys. 93, 1061 (1990)]. Besides giving the probability branching ratios between the surfaces, the method also allows the reconstruction of the time-dependent wavepacket. Our results are in quantitative agreement with converged quantum mechanical calculations.

Neural coordination during reach-to-grasp

PubMed Central

Vaidya, Mukta; Kording, Konrad; Saleh, Maryam; Takahashi, Kazutaka

2015-01-01

When reaching to grasp, we coordinate how we preshape the hand with how we move it. To ask how motor cortical neurons participate in this coordination, we examined the interactions between reach- and grasp-related neuronal ensembles while monkeys reached to grasp a variety of different objects in different locations. By describing the dynamics of these two ensembles as trajectories in a low-dimensional state space, we examined their coupling in time. We found evidence for temporal compensation across many different reach-to-grasp conditions such that if one neural trajectory led in time the other tended to catch up, reducing the asynchrony between the trajectories. Granger causality revealed bidirectional interactions between reach and grasp neural trajectories beyond that which could be attributed to the joint kinematics that were consistently stronger in the grasp-to-reach direction. Characterizing cortical coordination dynamics provides a new framework for understanding the functional interactions between neural populations. PMID:26224773

3D Visualization of Cooperative Trajectories

NASA Technical Reports Server (NTRS)

Schaefer, John A.

2014-01-01

Aerodynamicists and biologists have long recognized the benefits of formation flight. When birds or aircraft fly in the upwash region of the vortex generated by leaders in a formation, induced drag is reduced for the trail bird or aircraft, and efficiency improves. The major consequence of this is that fuel consumption can be greatly reduced. When two aircraft are separated by a large enough longitudinal distance, the aircraft are said to be flying in a cooperative trajectory. A simulation has been developed to model autonomous cooperative trajectories of aircraft; however it does not provide any 3D representation of the multi-body system dynamics. The topic of this research is the development of an accurate visualization of the multi-body system observable in a 3D environment. This visualization includes two aircraft (lead and trail), a landscape for a static reference, and simplified models of the vortex dynamics and trajectories at several locations between the aircraft.

Nonlinear maneuver autopilot for the F-15 aircraft

NASA Technical Reports Server (NTRS)

Menon, P. K. A.; Badgett, M. E.; Walker, R. A.

1989-01-01

A methodology is described for the development of flight test trajectory control laws based on singular perturbation methodology and nonlinear dynamic modeling. The control design methodology is applied to a detailed nonlinear six degree-of-freedom simulation of the F-15 and results for a level accelerations, pushover/pullup maneuver, zoom and pushover maneuver, excess thrust windup turn, constant thrust windup turn, and a constant dynamic pressure/constant load factor trajectory are presented.

Pipeline for inferring protein function from dynamics using coarse-grained molecular mechanics forcefield.

PubMed

Bhadra, Pratiti; Pal, Debnath

2017-04-01

Dynamics is integral to the function of proteins, yet the use of molecular dynamics (MD) simulation as a technique remains under-explored for molecular function inference. This is more important in the context of genomics projects where novel proteins are determined with limited evolutionary information. Recently we developed a method to match the query protein's flexible segments to infer function using a novel approach combining analysis of residue fluctuation-graphs and auto-correlation vectors derived from coarse-grained (CG) MD trajectory. The method was validated on a diverse dataset with sequence identity between proteins as low as 3%, with high function-recall rates. Here we share its implementation as a publicly accessible web service, named DynFunc (Dynamics Match for Function) to query protein function from ≥1 µs long CG dynamics trajectory information of protein subunits. Users are provided with the custom-developed coarse-grained molecular mechanics (CGMM) forcefield to generate the MD trajectories for their protein of interest. On upload of trajectory information, the DynFunc web server identifies specific flexible regions of the protein linked to putative molecular function. Our unique application does not use evolutionary information to infer molecular function from MD information and can, therefore, work for all proteins, including moonlighting and the novel ones, whenever structural information is available. Our pipeline is expected to be of utility to all structural biologists working with novel proteins and interested in moonlighting functions. Copyright © 2017 Elsevier Ltd. All rights reserved.

A rapid and robust gradient measurement technique using dynamic single-point imaging.

PubMed

Jang, Hyungseok; McMillan, Alan B

2017-09-01

We propose a new gradient measurement technique based on dynamic single-point imaging (SPI), which allows simple, rapid, and robust measurement of k-space trajectory. To enable gradient measurement, we utilize the variable field-of-view (FOV) property of dynamic SPI, which is dependent on gradient shape. First, one-dimensional (1D) dynamic SPI data are acquired from a targeted gradient axis, and then relative FOV scaling factors between 1D images or k-spaces at varying encoding times are found. These relative scaling factors are the relative k-space position that can be used for image reconstruction. The gradient measurement technique also can be used to estimate the gradient impulse response function for reproducible gradient estimation as a linear time invariant system. The proposed measurement technique was used to improve reconstructed image quality in 3D ultrashort echo, 2D spiral, and multi-echo bipolar gradient-echo imaging. In multi-echo bipolar gradient-echo imaging, measurement of the k-space trajectory allowed the use of a ramp-sampled trajectory for improved acquisition speed (approximately 30%) and more accurate quantitative fat and water separation in a phantom. The proposed dynamic SPI-based method allows fast k-space trajectory measurement with a simple implementation and no additional hardware for improved image quality. Magn Reson Med 78:950-962, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Singularity-free backstepping controller for model helicopters.

PubMed

Zou, Yao; Huo, Wei

2016-11-01

This paper develops a backstepping controller for model helicopters to achieve trajectory tracking without singularity, which occurs in the attitude representation when the roll or pitch reaches ±π2. Based on a simplified model with unmodeled dynamics, backstepping technique is introduced to exploit the controller and hyperbolic tangent functions are utilized to compensate the unmodeled dynamics. Firstly, a position loop controller is designed for the position tracking, where an auxiliary dynamic system with suitable parameters is introduced to warrant the singularity-free requirement for the extracted command attitude. Then, a novel attitude loop controller is proposed to obviate singularity. It is demonstrated that, based on the established criteria for selecting controller parameters and desired trajectories, the proposed controller realizes the singularity-free trajectory tracking of the model helicopter. Simulations confirm the theoretical results. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Statistical analysis of particle trajectories in living cells

NASA Astrophysics Data System (ADS)

Briane, Vincent; Kervrann, Charles; Vimond, Myriam

2018-06-01

Recent advances in molecular biology and fluorescence microscopy imaging have made possible the inference of the dynamics of molecules in living cells. Such inference allows us to understand and determine the organization and function of the cell. The trajectories of particles (e.g., biomolecules) in living cells, computed with the help of object tracking methods, can be modeled with diffusion processes. Three types of diffusion are considered: (i) free diffusion, (ii) subdiffusion, and (iii) superdiffusion. The mean-square displacement (MSD) is generally used to discriminate the three types of particle dynamics. We propose here a nonparametric three-decision test as an alternative to the MSD method. The rejection of the null hypothesis, i.e., free diffusion, is accompanied by claims of the direction of the alternative (subdiffusion or superdiffusion). We study the asymptotic behavior of the test statistic under the null hypothesis and under parametric alternatives which are currently considered in the biophysics literature. In addition, we adapt the multiple-testing procedure of Benjamini and Hochberg to fit with the three-decision-test setting, in order to apply the test procedure to a collection of independent trajectories. The performance of our procedure is much better than the MSD method as confirmed by Monte Carlo experiments. The method is demonstrated on real data sets corresponding to protein dynamics observed in fluorescence microscopy.

The possibility of evaluating turbo-set bearing misalignment defects on the basis of bearing trajectory features

NASA Astrophysics Data System (ADS)

Rybczyński, Józef

2011-02-01

This paper presents the results of computer simulation of bearing misalignment defects in a power turbogenerator. This malfunction is typical for great multi-rotor and multi-bearing rotating machines and very common in power turbo-sets. Necessary calculations were carried out by the computer code system MESWIR, developed and used at the IFFM in Gdansk for calculating dynamics of rotors supported on oil bearings. The results are presented in the form of a set of journal and bush trajectories of all turbo-set bearings. Our analysis focuses on the vibrational effects of displacing the two most vulnerable machine bearings in horizontal and vertical directions by the maximum acceptable range calculated with regard to bearing vibration criterion. This assumption required preliminary assessment of the maximum values for the permissible bearing dislocations. We show the relations between the attributes of the particular bearing trajectories and the bearing displacements in relation to their base design position. The shape and dimensions of bearing trajectories are interpreted based on the theory of hydrodynamic lubrication of oil bearings. It was shown that the relative journal trajectories and absolute bush trajectories carry much important information about the dynamic state of the machine, indicating also the way in which bearings are loaded. Therefore, trajectories can be a source of information about the position and direction of bearing misalignments. This article indicates the potential of using trajectory patterns for diagnosing misalignment defects in rotating machines and suggests including sets of trajectory patterns to the knowledge base of a machine diagnostic system.

Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states

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

Humeniuk, Alexander; Mitrić, Roland, E-mail: roland.mitric@uni-wuerzburg.de

A surface-hopping extension of the coupled coherent states-method [D. Shalashilin and M. Child, Chem. Phys. 304, 103-120 (2004)] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schrödinger equation for the motion of the nuclei is solved in a moving basis set. The basis set is guided by classical trajectories, which can hop stochastically between different electronic potential energy surfaces. The non-adiabatic transitions are modelled by a modified version of Tully’s fewest switches algorithm. The trajectories consist of Gaussians in the phase space of the nuclei (coherent states) combined with amplitudes for an electronicmore » wave function. The time-dependent matrix elements between different coherent states determine the amplitude of each trajectory in the total multistate wave function; the diagonal matrix elements determine the hopping probabilities and gradients. In this way, both interference effects and non-adiabatic transitions can be described in a very compact fashion, leading to the exact solution if convergence with respect to the number of trajectories is achieved and the potential energy surfaces are known globally. The method is tested on a 2D model for a conical intersection [A. Ferretti, J. Chem. Phys. 104, 5517 (1996)], where a nuclear wavepacket encircles the point of degeneracy between two potential energy surfaces and interferes with itself. These interference effects are absent in classical trajectory-based molecular dynamics but can be fully incorpo rated if trajectories are replaced by surface hopping coupled coherent states.« less

Interplanetary Program to Optimize Simulated Trajectories (IPOST). Volume 1: User's guide

NASA Technical Reports Server (NTRS)

Hong, P. E.; Kent, P. D.; Olson, D. W.; Vallado, C. A.

1992-01-01

IPOST is intended to support many analysis phases, from early interplanetary feasibility studies through spacecraft development and operations. The IPOST output provides information for sizing and understanding mission impacts related to propulsion, guidance, communications, sensor/actuators, payload, and other dynamic and geometric environments. IPOST models three degree of freedom trajectory events, such as launch/ascent, orbital coast, propulsive maneuvering (impulsive and finite burn), gravity assist, and atmospheric entry. Trajectory propagation is performed using a choice of Cowell, Encke, Multiconic, Onestep, or Conic methods. The user identifies a desired sequence fo trajectory events, and selects which parameters are independent (controls) and dependent (targets), as well as other constraints and the coat function. Targeting and optimization is performed using the Stanford NPSOL algorithm. IPOST structure allows sub-problems within a master optimization problem to aid in the general constrained parameter optimization solution. An alternate optimization method uses implicit simulation and collocation techniques.

Lower Limb Rehabilitation Using Patient Data

PubMed Central

Saadat, Mozafar

2016-01-01

The aim of this study is to investigate the performance of a 6-DoF parallel robot in tracking the movement of the foot trajectory of a paretic leg during a single stride. The foot trajectories of nine patients with a paretic leg including both males and females have been measured and analysed by a Vicon system in a gait laboratory. Based on kinematic and dynamic analysis of a 6-DoF UPS parallel robot, an algorithm was developed in MATLAB to calculate the length of the actuators and their required forces during all trajectories. The workspace and singularity points of the robot were then investigated in nine different cases. A 6-DoF UPS parallel robot prototype with high repeatability was designed and built in order to simulate a single stride. Results showed that the robot was capable of tracking all of the trajectories with the maximum position error of 1.2 mm. PMID:27721648

Gesture Recognition Based on the Probability Distribution of Arm Trajectories

NASA Astrophysics Data System (ADS)

Wan, Khairunizam; Sawada, Hideyuki

The use of human motions for the interaction between humans and computers is becoming an attractive alternative to verbal media, especially through the visual interpretation of the human body motion. In particular, hand gestures are used as non-verbal media for the humans to communicate with machines that pertain to the use of the human gestures to interact with them. This paper introduces a 3D motion measurement of the human upper body for the purpose of the gesture recognition, which is based on the probability distribution of arm trajectories. In this study, by examining the characteristics of the arm trajectories given by a signer, motion features are selected and classified by using a fuzzy technique. Experimental results show that the use of the features extracted from arm trajectories effectively works on the recognition of dynamic gestures of a human, and gives a good performance to classify various gesture patterns.

Adolescent Attachment and Trajectories of Hostile-Impulsive Behavior: Implications for the Development of Personality Disorders

PubMed Central

Kobak, Roger; Zajac, Kristyn; Smith, Clare

2014-01-01

Adolescents’ trajectories of impulsive and hostile behaviors provide a dynamic index of risk for the emergence of Cluster B (Anti-social and Borderline) personality disorders in early adulthood. In the current study, we tested the hypothesis that Preoccupied states of mind in the Adult Attachment Interview would increase both the level and rate of growth in adolescents’ trajectories of aggressive and sexual risk-taking behaviors measured at ages 13, 15, and 17. Overall, Preoccupied states of mind predicted higher levels of sexual risk-taking and aggressive behaviors across all three assessments as well as higher rates of growth in sexual-risk taking and caregiver-reported aggression over time. In addition, Preoccupied females showed slower rates of decline in self-reported hostile emotions than did Preoccupied males. The effects of gender as a moderator of the relations between Preoccupied status and risk trajectories for personality disorders are discussed. PMID:19583886

Energy conserving, linear scaling Born-Oppenheimer molecular dynamics.

PubMed

Cawkwell, M J; Niklasson, Anders M N

2012-10-07

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

Long-time Dynamics of Stochastic Wave Breaking

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

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

NASA Technical Reports Server (NTRS)

Bayo, Eduardo; Ledesma, Ragnar

1993-01-01

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

An inverse dynamics approach to trajectory optimization and guidance for an aerospace plane

NASA Technical Reports Server (NTRS)

Lu, Ping

1992-01-01

The optimal ascent problem for an aerospace planes is formulated as an optimal inverse dynamic problem. Both minimum-fuel and minimax type of performance indices are considered. Some important features of the optimal trajectory and controls are used to construct a nonlinear feedback midcourse controller, which not only greatly simplifies the difficult constrained optimization problem and yields improved solutions, but is also suited for onboard implementation. Robust ascent guidance is obtained by using combination of feedback compensation and onboard generation of control through the inverse dynamics approach. Accurate orbital insertion can be achieved with near-optimal control of the rocket through inverse dynamics even in the presence of disturbances.

Research in the Restricted Problems of Three and Four Bodies Final Scientific Report

NASA Technical Reports Server (NTRS)

Richards, Paul B.; Bernstein, Irwin S.; Chai, Winchung A.; Cronin, Jane; Ellis, Jordan; Fine, William E.; Kass, Sheldon; Musa, Samuel A.; Russell, Lawrence H.

1968-01-01

Seven studies have been conducted on research in the existence and nature of solutions of the restricted problems of three and four bodies. The details and results of five of these research investigations have already been published, and the latest two studies will be published shortly. A complete bibliography of publications is included in this report. This research has been primarily qualitative and has yielded new information on the behavior of trajectories near the libration points in the Earth-Moon-Sun and Sun-Jupiter-Saturn systems, and on the existence of periodic trajectories about the libration points of the circular and elliptical restricted four-body models. We have also implemented Birkhoff's normalization process for conservative and nonconservative Hamiltonian systems with equilibrium points. This makes available a technique for analyzing stability properties of certain nonlinear dynamical systems, and we have applied this technique to the circular and elliptical restricted three-body models. A related study was also conducted to determine the feasibility of using cislunar periodic trajectories for various space missions. Preliminary results suggest that this concept is attractive for space flight safety operations in cislunar space. Results of this research will be of interest to mathematicians, particularly those working in ordinary differential equations, dynamical systems and celestial mechanics; to astronomers; and to space guidance and mission analysts.

Spousal associations between functional limitation and depressive symptom trajectories: Longitudinal findings from the study of Asset and Health Dynamics Among the Oldest Old (AHEAD).

PubMed

Hoppmann, Christiane A; Gerstorf, Denis; Hibbert, Anita

2011-03-01

To examine spousal associations between functional limitation and depressive symptom trajectories in a national sample of older long-term married couples. We used 14.5-year longitudinal data on functional limitations and depressive symptoms from 1,704 couples participating in the Study of Asset and Health Dynamics Among the Oldest Old (AHEAD). Activities of daily living and a short version of the Center for Epidemiologic Studies Depression scale were used. Between-person difference findings corroborate previous research by showing that levels and changes in functional limitations and depressive symptoms are closely interrelated among wives and husbands. Our results further demonstrate sizable associations in levels and changes in functional limitations and depressive symptoms between spouses. For example, functional limitation levels in one spouse were associated with depressive symptom levels in the other spouse. Spousal associations remained after controlling for individual (age, education, cognition) and spousal covariates (marriage duration, number of children) and did not differ between women and men. Our findings highlight the important role of marital relationships in shaping health trajectories in old age because they show that some of the well-documented between-person differences in functional limitations and depressive symptoms are in fact related to spouses. (c) 2011 APA, all rights reserved

UAV Trajectory Modeling Using Neural Networks

NASA Technical Reports Server (NTRS)

Xue, Min

2017-01-01

Large amount of small Unmanned Aerial Vehicles (sUAVs) are projected to operate in the near future. Potential sUAV applications include, but not limited to, search and rescue, inspection and surveillance, aerial photography and video, precision agriculture, and parcel delivery. sUAVs are expected to operate in the uncontrolled Class G airspace, which is at or below 500 feet above ground level (AGL), where many static and dynamic constraints exist, such as ground properties and terrains, restricted areas, various winds, manned helicopters, and conflict avoidance among sUAVs. How to enable safe, efficient, and massive sUAV operations at the low altitude airspace remains a great challenge. NASA's Unmanned aircraft system Traffic Management (UTM) research initiative works on establishing infrastructure and developing policies, requirement, and rules to enable safe and efficient sUAVs' operations. To achieve this goal, it is important to gain insights of future UTM traffic operations through simulations, where the accurate trajectory model plays an extremely important role. On the other hand, like what happens in current aviation development, trajectory modeling should also serve as the foundation for any advanced concepts and tools in UTM. Accurate models of sUAV dynamics and control systems are very important considering the requirement of the meter level precision in UTM operations. The vehicle dynamics are relatively easy to derive and model, however, vehicle control systems remain unknown as they are usually kept by manufactures as a part of intellectual properties. That brings challenges to trajectory modeling for sUAVs. How to model the vehicle's trajectories with unknown control system? This work proposes to use a neural network to model a vehicle's trajectory. The neural network is first trained to learn the vehicle's responses at numerous conditions. Once being fully trained, given current vehicle states, winds, and desired future trajectory, the neural network should be able to predict the vehicle's future states at next time step. A complete 4-D trajectory are then generated step by step using the trained neural network. Experiments in this work show that the neural network can approximate the sUAV's model and predict the trajectory accurately.

High-Fidelity Multi-Rotor Unmanned Aircraft System Simulation Development for Trajectory Prediction Under Off-Nominal Flight Dynamics

NASA Technical Reports Server (NTRS)

Foster, John V.; Hartman, David C.

2017-01-01

The NASA Unmanned Aircraft System (UAS) Traffic Management (UTM) project is conducting research to enable civilian low-altitude airspace and UAS operations. A goal of this project is to develop probabilistic methods to quantify risk during failures and off nominal flight conditions. An important part of this effort is the reliable prediction of feasible trajectories during off-nominal events such as control failure, atmospheric upsets, or navigation anomalies that can cause large deviations from the intended flight path or extreme vehicle upsets beyond the normal flight envelope. Few examples of high-fidelity modeling and prediction of off-nominal behavior for small UAS (sUAS) vehicles exist, and modeling requirements for accurately predicting flight dynamics for out-of-envelope or failure conditions are essentially undefined. In addition, the broad range of sUAS aircraft configurations already being fielded presents a significant modeling challenge, as these vehicles are often very different from one another and are likely to possess dramatically different flight dynamics and resultant trajectories and may require different modeling approaches to capture off-nominal behavior. NASA has undertaken an extensive research effort to define sUAS flight dynamics modeling requirements and develop preliminary high fidelity six degree-of-freedom (6-DOF) simulations capable of more closely predicting off-nominal flight dynamics and trajectories. This research has included a literature review of existing sUAS modeling and simulation work as well as development of experimental testing methods to measure and model key components of propulsion, airframe and control characteristics. The ultimate objective of these efforts is to develop tools to support UTM risk analyses and for the real-time prediction of off-nominal trajectories for use in the UTM Risk Assessment Framework (URAF). This paper focuses on modeling and simulation efforts for a generic quad-rotor configuration typical of many commercial vehicles in use today. An overview of relevant off-nominal multi-rotor behaviors will be presented to define modeling goals and to identify the prediction capability lacking in simplified models of multi-rotor performance. A description of recent NASA wind tunnel testing of multi-rotor propulsion and airframe components will be presented illustrating important experimental and data acquisition methods, and a description of preliminary propulsion and airframe models will be presented. Lastly, examples of predicted off-nominal flight dynamics and trajectories from the simulation will be presented.

A Novel Method to Describe Early Offspring Body Mass Index (BMI) Trajectories and to Study Its Determinants

PubMed Central

Carles, Sophie; Charles, Marie-Aline; Forhan, Anne; Slama, Rémy; Heude, Barbara; Botton, Jérémie

2016-01-01

Background Accurately characterizing children’s body mass index (BMI) trajectories and studying their determinants is a statistical challenge. There is a need to identify early public health measures for obesity prevention. We describe a method that allows studies of the determinants of height, weight and BMI growth up to five years of age. We illustrated this method using maternal smoking during pregnancy as one of the early-life factors that is potentially involved in prenatal programming of obesity. Methods Individual height and weight trajectories were fitted using the Jenss-Bayley model on 28,381 and 30,515 measurements, respectively, from 1,666 children to deduce BMI trajectories. We assessed global associations between smoking and growth trajectories and cross-sectional associations at specific ages. Results Children exposed in late pregnancy had a 0.24 kg/m2 (95% confidence interval: 0.07, 0.41) higher BMI at 5 years of age compared with non-exposed children. Although the BMIs of children exposed during late pregnancy became significantly higher compared with those of non-exposed children from 2 years onwards, the trajectories began to diverge during the first weeks of life. Conclusion Our method is relevant for studies on the relationships between individual-level exposures and the dynamics and shapes of BMI growth during childhood, including key features such as instantaneous growth velocities and the age or BMI value at the BMI infancy peak that benefit from the monotonic pattern of height and weight growth. PMID:27327164

Theoretical study on substituent and solvent effects for nanocubes formed with gear-shaped amphiphile molecules.

PubMed

Mashiko, T; Hiraoka, S; Nagashima, U; Tachikawa, M

2017-01-04

Gear-shaped amphiphile molecules (1) recently synthesized by Hiraoka et al. self-assemble into a hexameric structure, nanocubes (1 6 ), in 25% aqueous methanol due to a solvophobic effect. Here we have carried out molecular dynamic simulations to elucidate the stability of these hexameric capsules (1 6 and 2 6 ) in water, 25% aqueous methanol, and methanol. In all solvents, the 1 6 nanocubes are maintained for all trajectories. On the other hand, 2 6 was found to collapse for one trajectory in water and seven trajectories in 25% aqueous methanol. In a pure methanol solvent, 2 6 was found to collapse for all trajectories. The number of collapsed trajectories of 2 6 increased with the amount of methanol in the solvent. We therefore focused on the structure of the π-π stacking between pyridyl groups and the CH-π interactions between the methyl and pyridyl groups within the nanocube. Our study clearly shows the role played by the methanol solvent molecules in the assembly of the nanocube in terms of the substituent and solvent effects at the molecular level, and that these substituent and solvent effects are important for the self-assembly of the nanocubes.

Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects.

PubMed

Marques, J M C; Martínez-Núñez, E; Fernandez-Ramos, A; Vazquez, S A

2005-06-23

Large-scale classical trajectory calculations have been performed to study the reaction Ar + CH4--> CH3 +H + Ar in the temperature range 2500 < or = T/K < or = 4500. The potential energy surface used for ArCH4 is the sum of the nonbonding pairwise potentials of Hase and collaborators (J. Chem. Phys. 2001, 114, 535) that models the intermolecular interaction and the CH4 intramolecular potential of Duchovic et al. (J. Phys. Chem. 1984, 88, 1339), which has been modified to account for the H-H repulsion at small bending angles. The thermal rate coefficient has been calculated, and the zero-point energy (ZPE) of the CH3 product molecule has been taken into account in the analysis of the results; also, two approaches have been applied for discarding predissociative trajectories. In both cases, good agreement is observed between the experimental and trajectory results after imposing the ZPE of CH3. The energy-transfer parameters have also been obtained from trajectory calculations and compared with available values estimated from experiment using the master equation formalism; in general, the agreement is good.

BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data.

PubMed

Hospital, Adam; Andrio, Pau; Cugnasco, Cesare; Codo, Laia; Becerra, Yolanda; Dans, Pablo D; Battistini, Federica; Torres, Jordi; Goñi, Ramón; Orozco, Modesto; Gelpí, Josep Ll

2016-01-04

Molecular dynamics simulation (MD) is, just behind genomics, the bioinformatics tool that generates the largest amounts of data, and that is using the largest amount of CPU time in supercomputing centres. MD trajectories are obtained after months of calculations, analysed in situ, and in practice forgotten. Several projects to generate stable trajectory databases have been developed for proteins, but no equivalence exists in the nucleic acids world. We present here a novel database system to store MD trajectories and analyses of nucleic acids. The initial data set available consists mainly of the benchmark of the new molecular dynamics force-field, parmBSC1. It contains 156 simulations, with over 120 μs of total simulation time. A deposition protocol is available to accept the submission of new trajectory data. The database is based on the combination of two NoSQL engines, Cassandra for storing trajectories and MongoDB to store analysis results and simulation metadata. The analyses available include backbone geometries, helical analysis, NMR observables and a variety of mechanical analyses. Individual trajectories and combined meta-trajectories can be downloaded from the portal. The system is accessible through http://mmb.irbbarcelona.org/BIGNASim/. Supplementary Material is also available on-line at http://mmb.irbbarcelona.org/BIGNASim/SuppMaterial/. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

Significance of specific force models in two applications: Solar sails to sun-earth L4/L5 and grail data analysis suggesting lava tubes and buried craters on the moon

NASA Astrophysics Data System (ADS)

Sood, Rohan

In the trajectory design process, gravitational interaction between the bodies of interest plays a key role in developing the over-arching force model. However, non-gravitational forces, such as solar radiation pressure (SRP), can significantly influence the motion of a spacecraft. Incorporating SRP within the dynamical model can assist in estimating the trajectory of a spacecraft with greater precision, in particular, for a spacecraft with a large area-to-mass ratio, i.e., solar sails. Subsequently, in the trajectory design process, solar radiation pressure can be leveraged to maneuver the sail-based spacecraft. First, to construct low energy transfers, the invariant manifolds are explored that form an important tool in the computation and design of complex trajectories. The focus is the investigation of trajectory design options, incorporating solar sail dynamics, from the Earth parking orbit to the vicinity of triangular Lagrange points. Thereafter, an optimization scheme assisted in investigating the ?V requirement to depart from the Earth parking orbit. Harnessing the solar radiation pressure, the spacecraft is delivered to the vicinity of the displaced Lagrange point and maintains a trajectory close to the artificial libration point with the help of the solar sail. However, these trajectories are converged in a model formulated as a three-body problem with additional acceleration from solar radiation pressure. Thus, the trajectories are transitioned to higher fidelity ephemeris model to account for additional perturbing accelerations that may dominate the sail-craft dynamics and improve upon the trajectory design process. Alternatively, precise knowledge of the motion of a spacecraft about a central body and the contribution of the SRP can assist in deriving a highly accurate gravity field model. The high resolution gravity data can potentially assist in exploring the surface and subsurface properties of a particular body. With the goal of expanding human presence beyond Earth, sub-surface empty lava tubes on other worlds form ideal candidates for creating a permanent habitation environment safe from cosmic radiation, micrometeorite impacts and temperature extremes. In addition, gravitational analysis has also revealed large buried craters under thick piles of mare basalt, shedding light on Moon's dynamic and hostile past. In this work, gravity mapping observations from NASA's Gravity Recovery and Interior Laboratory (GRAIL) are employed to detect the presence of potential empty lava tubes and large impact craters buried beneath the lunar maria.

Dynamic imperfections and optimized feedback design in the Compact Linear Collider main linac

NASA Astrophysics Data System (ADS)

Eliasson, Peder

2008-05-01

The Compact Linear Collider (CLIC) main linac is sensitive to dynamic imperfections such as element jitter, injected beam jitter, and ground motion. These effects cause emittance growth that, in case of ground motion, has to be counteracted by a trajectory feedback system. The feedback system itself will, due to jitter effects and imperfect beam position monitors (BPMs), indirectly cause emittance growth. Fast and accurate simulations of both the direct and indirect effects are desirable, but due to the many elements of the CLIC main linac, simulations may become very time consuming. In this paper, an efficient way of simulating linear (or nearly linear) dynamic effects is described. The method is also shown to facilitate the analytic determination of emittance growth caused by the different dynamic imperfections while using a trajectory feedback system. Emittance growth expressions are derived for quadrupole, accelerating structure, and beam jitter, for ground motion, and for noise in the feedback BPMs. Finally, it is shown how the method can be used to design a feedback system that is optimized for the optics of the machine and the ground motion spectrum of the particular site. This feedback system gives an emittance growth rate that is approximately 10 times lower than that of traditional trajectory feedbacks. The robustness of the optimized feedback system is studied for a number of additional imperfections, e.g., dipole corrector imperfections and faulty knowledge about the machine optics, with promising results.

Trajectory Calculations for Bergman Cyclization Predict H/D Kinetic Isotope Effects Due to Nonstatistical Dynamics in the Product.

PubMed

Doubleday, Charles; Boguslav, Mayla; Howell, Caronae; Korotkin, Scott D; Shaked, David

2016-06-22

An unusual H/D kinetic isotope effect (KIE) is described, in which isotopic selectivity arises primarily from nonstatistical dynamics in the product. In DFT-based quasiclassical trajectories of Bergman cyclization of (Z)-3-hexen-1,5-diyne (1) at 470 K, the new CC bond retains its energy, and 28% of nascent p-benzyne recrosses back to the enediyne on a vibrational time scale. The competing process of intramolecular vibrational redistribution (IVR) in p-benzyne is too slow to prevent this. Deuteration increases the rate of IVR, which decreases the fraction of recrossing and increases the yield of statistical (trapable) p-benzyne, 2. Trapable yields for three isotopomers of 2 range from 72% to 86%. The resulting KIEs for Bergman cyclization differ substantially from KIEs predicted by transition state theory, which suggests that IVR in this reaction can be studied by conventional KIEs. Leakage of vibrational zero point energy (ZPE) into the reaction coordinate was probed by trajectories in which initial ZPE in the CH/CD stretching modes was reduced by 25%. This did not change the predicted KIEs.

Photodissociation dynamics of nitromethane and methyl nitrite by infrared multiphoton dissociation imaging with quasiclassical trajectory calculations: signatures of the roaming pathway.

PubMed

Dey, Arghya; Fernando, Ravin; Abeysekera, Chamara; Homayoon, Zahra; Bowman, Joel M; Suits, Arthur G

2014-02-07

We combine the techniques of infrared multiphoton dissociation (IRMPD) with state selective ion imaging to probe roaming dynamics in the unimolecular dissociation of nitromethane and methyl nitrite. Recent theoretical calculations suggest a "roaming-mediated isomerization" pathway of nitromethane to methyl nitrite prior to decomposition. State-resolved imaging of the NO product coupled with infrared multiphoton dissociation was carried out to examine this unimolecular decomposition near threshold. The IRMPD images for the NO product from nitromethane are consistent with the earlier IRMPD studies that first suggested the importance of an isomerization pathway. A significant Λ-doublet propensity is seen in nitromethane IRMPD but not methyl nitrite. The experimental observations are augmented by quasiclassical trajectory calculations for nitromethane and methyl nitrite near threshold for each dissociation pathway. The observation of distinct methoxy vibrational excitation for trajectories from nitromethane and methyl nitrite dissociation at the same total energy show that the nitromethane dissociation bears a nonstatistical signature of the roaming isomerization pathway, and this is possibly responsible for the nitromethane Λ-doublet propensity as well.

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

NASA Astrophysics Data System (ADS)

Zhao, Dang-Jun; Song, Zheng-Yu

2017-08-01

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

Generalized correlation integral vectors: A distance concept for chaotic dynamical systems

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

Haario, Heikki, E-mail: heikki.haario@lut.fi; Kalachev, Leonid, E-mail: KalachevL@mso.umt.edu; Hakkarainen, Janne

2015-06-15

Several concepts of fractal dimension have been developed to characterise properties of attractors of chaotic dynamical systems. Numerical approximations of them must be calculated by finite samples of simulated trajectories. In principle, the quantities should not depend on the choice of the trajectory, as long as it provides properly distributed samples of the underlying attractor. In practice, however, the trajectories are sensitive with respect to varying initial values, small changes of the model parameters, to the choice of a solver, numeric tolerances, etc. The purpose of this paper is to present a statistically sound approach to quantify this variability. Wemore » modify the concept of correlation integral to produce a vector that summarises the variability at all selected scales. The distribution of this stochastic vector can be estimated, and it provides a statistical distance concept between trajectories. Here, we demonstrate the use of the distance for the purpose of estimating model parameters of a chaotic dynamic model. The methodology is illustrated using computational examples for the Lorenz 63 and Lorenz 95 systems, together with a framework for Markov chain Monte Carlo sampling to produce posterior distributions of model parameters.« less

Photodissociation Dynamics of Phenol: Multistate Trajectory Simulations including Tunneling

DOE PAGES

Xu, Xuefei; Zheng, Jingjing; Yang, Ke R.; ...

2014-10-27

We report multistate trajectory simulations, including coherence, decoherence, and multidimensional tunneling, of phenol photodissociation dynamics. The calculations are based on full-dimensional anchor-points reactive potential surfaces and state couplings fit to electronic structure calculations including dynamical correlation with an augmented correlation-consistent polarized valence double-ζ basis set. The calculations successfully reproduce the experimentally observed bimodal character of the total kinetic energy release spectra and confirm the interpretation of the most recent experiments that the photodissociation process is dominated by tunneling. Analysis of the trajectories uncovers an unexpected dissociation pathway for one quantum excitation of the O–H stretching mode of the S 1more » state, namely, tunneling in a coherent mixture of states starting in a smaller R OH (~0.9–1.0 Å) region than has previously been invoked. The simulations also show that most trajectories do not pass close to the S 1–S 2 conical intersection (they have a minimum gap greater than 0.6 eV), they provide statistics on the out-of-plane angles at the locations of the minimum energy adiabatic gap, and they reveal information about which vibrational modes are most highly activated in the products.« less

Cluster Analysis of Atmospheric Dynamics and Pollution Transport in a Coastal Area

NASA Astrophysics Data System (ADS)

Sokolov, Anton; Dmitriev, Egor; Maksimovich, Elena; Delbarre, Hervé; Augustin, Patrick; Gengembre, Cyril; Fourmentin, Marc; Locoge, Nadine

2016-11-01

Summertime atmospheric dynamics in the coastal zone of the industrialized Dunkerque agglomeration in northern France was characterized by a cluster analysis of back trajectories in the context of pollution transport. The MESO-NH atmospheric model was used to simulate the local dynamics at multiple scales with horizontal resolution down to 500 m, and for the online calculation of the Lagrangian backward trajectories with 30-min temporal resolution. Airmass transport was performed along six principal pathways obtained by the weighted k-means clustering technique. Four of these centroids corresponded to a range of wind speeds over the English Channel: two for wind directions from the north-east and two from the south-west. Another pathway corresponded to a south-westerly continental transport. The backward trajectories of the largest and most dispersed sixth cluster contained low wind speeds, including sea-breeze circulations. Based on analyses of meteorological data and pollution measurements, the principal atmospheric pathways were related to local air-contamination events. Continuous air quality and meteorological data were collected during the Benzene-Toluene-Ethylbenzene-Xylene 2006 campaign. The sites of the pollution measurements served as the endpoints for the backward trajectories. Pollutant transport pathways corresponding to the highest air contamination were defined.

Kinetic constrained optimization of the golf swing hub path.

PubMed

Nesbit, Steven M; McGinnis, Ryan S

2014-12-01

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

Kinetic Constrained Optimization of the Golf Swing Hub Path

PubMed Central

Nesbit, Steven M.; McGinnis, Ryan S.

2014-01-01

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

Adaptive robust motion trajectory tracking control of pneumatic cylinders with LuGre model-based friction compensation

NASA Astrophysics Data System (ADS)

Meng, Deyuan; Tao, Guoliang; Liu, Hao; Zhu, Xiaocong

2014-07-01

Friction compensation is particularly important for motion trajectory tracking control of pneumatic cylinders at low speed movement. However, most of the existing model-based friction compensation schemes use simple classical models, which are not enough to address applications with high-accuracy position requirements. Furthermore, the friction force in the cylinder is time-varying, and there exist rather severe unmodelled dynamics and unknown disturbances in the pneumatic system. To deal with these problems effectively, an adaptive robust controller with LuGre model-based dynamic friction compensation is constructed. The proposed controller employs on-line recursive least squares estimation (RLSE) to reduce the extent of parametric uncertainties, and utilizes the sliding mode control method to attenuate the effects of parameter estimation errors, unmodelled dynamics and disturbances. In addition, in order to realize LuGre model-based friction compensation, the modified dual-observer structure for estimating immeasurable friction internal state is developed. Therefore, a prescribed motion tracking transient performance and final tracking accuracy can be guaranteed. Since the system model uncertainties are unmatched, the recursive backstepping design technology is applied. In order to solve the conflicts between the sliding mode control design and the adaptive control design, the projection mapping is used to condition the RLSE algorithm so that the parameter estimates are kept within a known bounded convex set. Finally, the proposed controller is tested for tracking sinusoidal trajectories and smooth square trajectory under different loads and sudden disturbance. The testing results demonstrate that the achievable performance of the proposed controller is excellent and is much better than most other studies in literature. Especially when a 0.5 Hz sinusoidal trajectory is tracked, the maximum tracking error is 0.96 mm and the average tracking error is 0.45 mm. This paper constructs an adaptive robust controller which can compensate the friction force in the cylinder.

Using Individual GPS Trajectories to Explore Foodscape Exposure: A Case Study in Beijing Metropolitan Area

PubMed Central

Zhang, Shuhua; Ma, Jinsong

2018-01-01

With the growing interest in studying the characteristics of people’s access to the food environment and its influence upon individual health, there has been a focus on assessing individual food exposure based on GPS trajectories. However, existing studies have largely focused on the overall activity space using short-period trajectories, which ignores the complexity of human movements and the heterogeneity of the spaces that are experienced by the individual over daily life schedules. In this study, we propose a novel framework to extract the exposure areas consisting of the localized activity spaces around daily life centers and non-motorized commuting routes from long-term GPS trajectories. The newly proposed framework is individual-specific and can incorporate the internal heterogeneity of individual activities (spatial extent, stay duration, and timing) in different places as well as the dynamics of the context. A pilot study of the GeoLife dataset suggests that there are significant variations in the magnitude as well as the composition of the food environment in different parts of the individual exposure area, and residential environment is not representative of the overall foodscape exposure. PMID:29495449

Zero, minimum and maximum relative radial acceleration for planar formation flight dynamics near triangular libration points in the Earth-Moon system

NASA Astrophysics Data System (ADS)

Salazar, F. J. T.; Masdemont, J. J.; Gómez, G.; Macau, E. E.; Winter, O. C.

2014-11-01

Assume a constellation of satellites is flying near a given nominal trajectory around L4 or L5 in the Earth-Moon system in such a way that there is some freedom in the selection of the geometry of the constellation. We are interested in avoiding large variations of the mutual distances between spacecraft. In this case, the existence of regions of zero and minimum relative radial acceleration with respect to the nominal trajectory will prevent from the expansion or contraction of the constellation. In the other case, the existence of regions of maximum relative radial acceleration with respect to the nominal trajectory will produce a larger expansion and contraction of the constellation. The goal of this paper is to study these regions in the scenario of the Circular Restricted Three Body Problem by means of a linearization of the equations of motion relative to the periodic orbits around L4 or L5. This study corresponds to a preliminar planar formation flight dynamics about triangular libration points in the Earth-Moon system. Additionally, the cost estimate to maintain the constellation in the regions of zero and minimum relative radial acceleration or keeping a rigid configuration is computed with the use of the residual acceleration concept. At the end, the results are compared with the dynamical behavior of the deviation of the constellation from a periodic orbit.

Querying databases of trajectories of differential equations 2: Index functions

NASA Technical Reports Server (NTRS)

Grossman, Robert

1991-01-01

Suppose that a large number of parameterized trajectories (gamma) of a dynamical system evolving in R sup N are stored in a database. Let eta is contained R sup N denote a parameterized path in Euclidean space, and let parallel to center dot parallel to denote a norm on the space of paths. A data structures and indices for trajectories are defined and algorithms are given to answer queries of the following forms: Query 1. Given a path eta, determine whether eta occurs as a subtrajectory of any trajectory gamma from the database. If so, return the trajectory; otherwise, return null. Query 2. Given a path eta, return the trajectory gamma from the database which minimizes the norm parallel to eta - gamma parallel.

Unconventional dynamics of electrons in topological insulators in a magnetic field: Berry phase effects

NASA Astrophysics Data System (ADS)

Demikhovskii, V. Ya.; Turkevich, R. V.

2015-04-01

The semiclassical dynamics of charge carriers moving over the surface of a Bi2Te3-type 3D topological insulator in a static magnetic field is studied. The effects related to the changes in the symmetry of constant energy surfaces (contours), as well as to the nonzero Berry curvature, are taken into account. It is shown that effects related both to the anomalous velocity proportional to the Berry curvature and to the distortions of the trajectories stemming from the additional contribution to the energy proportional the orbital magnetic moment of a wave packet appear in contrast to the conventional dynamics of electrons moving in a uniform static magnetic field along trajectories determined by the conditions E( k) = const and p z = const. This should lead to changes in the cyclotron resonance conditions for surface electrons. Although the magnetic field breaks the time-reversal symmetry and the topological order, the studies of the cyclotron resonance allow finding out whether a given insulator is a trivial one or not in zero magnetic field.

Hybridization effects on wave packet dynamics in topological insulator thin films.

PubMed

Yar, Abdullah; Naeem, Muhammad; Khan, Safi Ullah; Sabeeh, Kashif

2017-11-22

Theoretical study of electron wave packet dynamics in topological insulator (TI) thin films is presented. We have investigated real space trajectories and spin dynamics of electron wave packets in TI thin films. Our focus is on the role of hybridization between the electronic states of the two surfaces. This allows us to access the crossover regime of a thick film with no hybridization to a thin film with finite hybridization. We show that the electron wave packet undergoes side-jump motion in addition to zitterbewegung. The oscillation frequency of zitterbewegung can be tuned by the strength of hybridization, which in turn can be tuned by the thickness of the film. We find that the spin expectations also exhibit zitterbewegung tunable by hybridization. We also show that it is possible to obtain persistent zitterbewegung, oscillations which do not decay, in both the real space trajectories as well as spin dynamics. The zitterbewegung oscillation frequency in TI thin films falls in a parameter regime where it might be possible to observe these effects using present day experimental techniques.

Ecological dynamics of continuous and categorical decision-making: the regatta start in sailing.

PubMed

Araújo, Duarte; Davids, Keith; Diniz, Ana; Rocha, Luis; Santos, João Coelho; Dias, Gonçalo; Fernandes, Orlando

2015-01-01

Ecological dynamics of decision-making in the sport of sailing exemplifies emergent, conditionally coupled, co-adaptive behaviours. In this study, observation of the coupling dynamics of paired boats during competitive sailing showed that decision-making can be modelled as a self-sustained, co-adapting system of informationally coupled oscillators (boats). Bytracing the spatial-temporal displacements of the boats, time series analyses (autocorrelations, periodograms and running correlations) revealed that trajectories of match racing boats are coupled more than 88% of the time during a pre-start race, via continuous, competing co-adaptions between boats. Results showed that both the continuously selected trajectories of the sailors (12 years of age) and their categorical starting point locations were examples of emergent decisions. In this dynamical conception of decision-making behaviours, strategic positioning (categorical) and continuous displacement of a boat over the course in match-race sailing emerged as a function of interacting task, personal and environmental constraints. Results suggest how key interacting constraints could be manipulated in practice to enhance sailors' perceptual attunement to them in competition.

Dynamics of essential collective motions in proteins: Theory

NASA Astrophysics Data System (ADS)

Stepanova, Maria

2007-11-01

A general theoretical background is introduced for characterization of conformational motions in protein molecules, and for building reduced coarse-grained models of proteins, based on the statistical analysis of their phase trajectories. Using the projection operator technique, a system of coupled generalized Langevin equations is derived for essential collective coordinates, which are generated by principal component analysis of molecular dynamic trajectories. The number of essential degrees of freedom is not limited in the theory. An explicit analytic relation is established between the generalized Langevin equation for essential collective coordinates and that for the all-atom phase trajectory projected onto the subspace of essential collective degrees of freedom. The theory introduced is applied to identify correlated dynamic domains in a macromolecule and to construct coarse-grained models representing the conformational motions in a protein through a few interacting domains embedded in a dissipative medium. A rigorous theoretical background is provided for identification of dynamic correlated domains in a macromolecule. Examples of domain identification in protein G are given and employed to interpret NMR experiments. Challenges and potential outcomes of the theory are discussed.

Mental health trajectories and their embeddedness in work and family circumstances: a latent state-trait approach to life-course trajectories.

PubMed

Cullati, Stéphane; Courvoisier, Delphine S; Burton-Jeangros, Claudine

2014-09-01

Mental health trajectories are known to be influenced by work and family circumstances. However, few studies have examined both of these influences simultaneously in a longitudinal manner. The life-course perspective stresses the importance of examining trajectories in terms of both stable and dynamic components. In this article we use structural equation models (latent state-trait, LST) to distinguish the stable and situational components of mental health trajectories and hypothesise that situational mental health is influenced by satisfaction with work and family, and this effect differs by gender. An analysis of data from a nationally representative sample of 1616 working Swiss residents (2000-2006) shows that mental health trajectories are mostly stable and only slightly sensitive to situational influences. However, situational influences in a given wave do predict situational influences in the next wave. Satisfaction with work and family influences situational mental health in both genders, but the impact is greater for men. In conclusion, the LST approach allows for the examination of mental health trajectories from a life-course perspective by distinguishing stable and situational components. Mental health trajectories are more stable and constant than they are dependent on work and family circumstances, and men are more sensitive to family circumstances than women. © 2014 The Authors. Sociology of Health & Illness © 2014 Foundation for the Sociology of Health & Illness/John Wiley & Sons.

Trajectory-Based Complexity (TBX): A Modified Aircraft Count to Predict Sector Complexity During Trajectory-Based Operations

NASA Technical Reports Server (NTRS)

Prevot, Thomas; Lee, Paul U.

2011-01-01

In this paper we introduce a new complexity metric to predict -in real-time- sector complexity for trajectory-based operations (TBO). TBO will be implemented in the Next Generation Air Transportation System (NextGen). Trajectory-Based Complexity (TBX) is a modified aircraft count that can easily be computed and communicated in a TBO environment based upon predictions of aircraft and weather trajectories. TBX is scaled to aircraft count and represents an alternate and additional means to manage air traffic demand and capacity with more consideration of dynamic factors such as weather, aircraft equipage or predicted separation violations, as well as static factors such as sector size. We have developed and evaluated TBX in the Airspace Operations Laboratory (AOL) at the NASA Ames Research Center during human-in-the-loop studies of trajectory-based concepts since 2009. In this paper we will describe the TBX computation in detail and present the underlying algorithm. Next, we will describe the specific TBX used in an experiment at NASA's AOL. We will evaluate the performance of this metric using data collected during a controller-inthe- loop study on trajectory-based operations at different equipage levels. In this study controllers were prompted at regular intervals to rate their current workload on a numeric scale. When comparing this real-time workload rating to the TBX values predicted for these time periods we demonstrate that TBX is a better predictor of workload than aircraft count. Furthermore we demonstrate that TBX is well suited to be used for complexity management in TBO and can easily be adjusted to future operational concepts.

Thermal boundaries analysis program document

NASA Technical Reports Server (NTRS)

Evans, M. E.

1975-01-01

The digital program TBAP has been developed to provide thermal boundaries in the DD/M-relative velocity (D-V), dynamic pressure-relative velocity (q-V), and altitude-relative velocity (h-V) planes. These thermal boundaries are used to design and/or analyze shuttle orbiter entry trajectories. The TBAP has been used extensively in supporting the Flight Performance Branch of NASA in evaluating candidate trajectories for the thermal protection system design trajectory.

LDSD POST2 Simulation and SFDT-1 Pre-Flight Launch Operations Analyses

NASA Technical Reports Server (NTRS)

Bowes, Angela L.; Davis, Jody L.; Dutta, Soumyo; Striepe, Scott A.; Ivanov, Mark C.; Powell, Richard W.; White, Joseph

2015-01-01

The Low-Density Supersonic Decelerator (LDSD) Project's first Supersonic Flight Dynamics Test (SFDT-1) occurred June 28, 2014. Program to Optimize Simulated Trajectories II (POST2) was utilized to develop trajectory simulations characterizing all SFDT-1 flight phases from drop to splashdown. These POST2 simulations were used to validate the targeting parameters developed for SFDT- 1, predict performance and understand the sensitivity of the vehicle and nominal mission designs, and to support flight test operations with trajectory performance and splashdown location predictions for vehicle recovery. This paper provides an overview of the POST2 simulations developed for LDSD and presents the POST2 simulation flight dynamics support during the SFDT-1 launch, operations, and recovery.

A proposed methodology for studying the historical trajectory of words' meaning through Tsallis entropy

NASA Astrophysics Data System (ADS)

Neuman, Yair; Cohen, Yochai; Israeli, Navot; Tamir, Boaz

2018-02-01

The availability of historical textual corpora has led to the study of words' frequency along the historical time line, as representing the public's focus of attention over time. However, studying of the dynamics of words' meaning is still in its infancy. In this paper, we propose a methodology for studying the historical trajectory of words' meaning through Tsallis entropy. First, we present the idea that the meaning of a word may be studied through the entropy of its embedding. Using two historical case studies, we show that this entropy measure is correlated with the intensity in which a word is used. More importantly, we show that using Tsallis entropy with a superadditive entropy index may provide a better estimation of a word's frequency of use than using Shannon entropy. We explain this finding as resulting from an increasing redundancy between the words that comprise the semantic field of the target word and develop a new measure of redundancy between words. Using this measure, which relies on the Tsallis version of the Kullback-Leibler divergence, we show that the evolving meaning of a word involves the dynamics of increasing redundancy between components of its semantic field. The proposed methodology may enrich the toolkit of researchers who study the dynamics of word senses.

Characterization of Dynamical Phase Transitions in Quantum Jump Trajectories Beyond the Properties of the Stationary State

NASA Astrophysics Data System (ADS)

Lesanovsky, Igor; van Horssen, Merlijn; Guţă, Mădălin; Garrahan, Juan P.

2013-04-01

We describe how to characterize dynamical phase transitions in open quantum systems from a purely dynamical perspective, namely, through the statistical behavior of quantum jump trajectories. This approach goes beyond considering only properties of the steady state. While in small quantum systems dynamical transitions can only occur trivially at limiting values of the controlling parameters, in many-body systems they arise as collective phenomena and within this perspective they are reminiscent of thermodynamic phase transitions. We illustrate this in open models of increasing complexity: a three-level system, the micromaser, and a dissipative version of the quantum Ising model. In these examples dynamical transitions are accompanied by clear changes in static behavior. This is however not always the case, and, in general, dynamical phases need to be uncovered by observables which are strictly dynamical, e.g., dynamical counting fields. We demonstrate this via the example of a class of models of dissipative quantum glasses, whose dynamics can vary widely despite having identical (and trivial) stationary states.

Characterization of dynamical phase transitions in quantum jump trajectories beyond the properties of the stationary state.

PubMed

Lesanovsky, Igor; van Horssen, Merlijn; Guţă, Mădălin; Garrahan, Juan P

2013-04-12

We describe how to characterize dynamical phase transitions in open quantum systems from a purely dynamical perspective, namely, through the statistical behavior of quantum jump trajectories. This approach goes beyond considering only properties of the steady state. While in small quantum systems dynamical transitions can only occur trivially at limiting values of the controlling parameters, in many-body systems they arise as collective phenomena and within this perspective they are reminiscent of thermodynamic phase transitions. We illustrate this in open models of increasing complexity: a three-level system, the micromaser, and a dissipative version of the quantum Ising model. In these examples dynamical transitions are accompanied by clear changes in static behavior. This is however not always the case, and, in general, dynamical phases need to be uncovered by observables which are strictly dynamical, e.g., dynamical counting fields. We demonstrate this via the example of a class of models of dissipative quantum glasses, whose dynamics can vary widely despite having identical (and trivial) stationary states.

Justice as a dynamic construct: effects of individual trajectories on distal work outcomes.

PubMed

Hausknecht, John P; Sturman, Michael C; Roberson, Quinetta M

2011-07-01

Despite an amassing organizational justice literature, few studies have directly addressed the temporal patterning of justice judgments and the effects that changes in these perceptions have on important work outcomes. Drawing from Gestalt characteristics theory (Ariely & Carmon, 2000, 2003), we examine the concept of justice trajectories (i.e., levels and trends of individual fairness perceptions over time) and offer empirical evidence to highlight the value of considering fairness within a dynamic context. Participants included 523 working adults who completed surveys about their work experiences on 4 occasions over the course of 1 year. Results indicate that justice trends explained additional variance in distal work outcomes (job satisfaction, organizational commitment, and turnover intentions) after controlling for end-state levels of justice, demonstrating the cumulative effects of justice over time. Findings also reveal that change in procedural justice perceptions affected distal work outcomes more strongly than any other justice dimension. Implications for theory and future investigations of justice as a dynamic construct are discussed.

Dynamical origin of near- and below-threshold harmonic generation of Cs in an intense mid-infrared laser field.

PubMed

Li, Peng-Cheng; Sheu, Yae-Lin; Laughlin, Cecil; Chu, Shih-I

2015-05-20

Near- and below-threshold harmonic generation provides a potential approach to generate vacuum-ultraviolet frequency comb. However, the dynamical origin of in these lower harmonics is less understood and largely unexplored. Here we perform an ab initio quantum study of the near- and below-threshold harmonic generation of caesium (Cs) atoms in an intense 3,600-nm mid-infrared laser field. Combining with a synchrosqueezing transform of the quantum time-frequency spectrum and an extended semiclassical analysis, the roles of multiphoton and multiple rescattering trajectories on the near- and below-threshold harmonic generation processes are clarified. We find that the multiphoton-dominated trajectories only involve the electrons scattered off the higher part of the combined atom-field potential followed by the absorption of many photons in near- and below-threshold regime. Furthermore, only the near-resonant below-threshold harmonic is exclusive to exhibit phase locked features. Our results shed light on the dynamic origin of the near- and below-threshold harmonic generation.

[Brownian dynamics simulations of protein-protein interactions in photosynthetic electron transport chain].

PubMed

Khruschev, S S; Abaturova, A M; Diakonova, A N; Fedorov, V A; Ustinin, D M; Kovalenko, I B; Riznichenko, G Yu; Rubin, A B

2015-01-01

The application of Brownian dynamics for simulation of transient protein-protein interactions is reviewed. The review focuses on theoretical basics of Brownian dynamics method, its particular implementations, advantages and drawbacks of the method. The outlook for future development of Brownian dynamics-based simulation techniques is discussed. Special attention is given to analysis of Brownian dynamics trajectories. The second part of the review is dedicated to the role of Brownian dynamics simulations in studying photosynthetic electron transport. Interactions of mobile electron carriers (plastocyanin, cytochrome c6, and ferredoxin) with their reaction partners (cytochrome b6f complex, photosystem I, ferredoxin:NADP-reductase, and hydrogenase) are considered.

A time domain inverse dynamic method for the end point tracking control of a flexible manipulator

NASA Technical Reports Server (NTRS)

Kwon, Dong-Soo; Book, Wayne J.

1991-01-01

The inverse dynamic equation of a flexible manipulator was solved in the time domain. By dividing the inverse system equation into the causal part and the anticausal part, we calculated the torque and the trajectories of all state variables for a given end point trajectory. The interpretation of this method in the frequency domain was explained in detail using the two-sided Laplace transform and the convolution integral. The open loop control of the inverse dynamic method shows an excellent result in simulation. For real applications, a practical control strategy is proposed by adding a feedback tracking control loop to the inverse dynamic feedforward control, and its good experimental performance is presented.

To Pass or Not to Pass: Modeling the Movement and Affordance Dynamics of a Pick and Place Task

PubMed Central

Lamb, Maurice; Kallen, Rachel W.; Harrison, Steven J.; Di Bernardo, Mario; Minai, Ali; Richardson, Michael J.

2017-01-01

Humans commonly engage in tasks that require or are made more efficient by coordinating with other humans. In this paper we introduce a task dynamics approach for modeling multi-agent interaction and decision making in a pick and place task where an agent must move an object from one location to another and decide whether to act alone or with a partner. Our aims were to identify and model (1) the affordance related dynamics that define an actor's choice to move an object alone or to pass it to their co-actor and (2) the trajectory dynamics of an actor's hand movements when moving to grasp, relocate, or pass the object. Using a virtual reality pick and place task, we demonstrate that both the decision to pass or not pass an object and the movement trajectories of the participants can be characterized in terms of a behavioral dynamics model. Simulations suggest that the proposed behavioral dynamics model exhibits features observed in human participants including hysteresis in decision making, non-straight line trajectories, and non-constant velocity profiles. The proposed model highlights how the same low-dimensional behavioral dynamics can operate to constrain multiple (and often nested) levels of human activity and suggests that knowledge of what, when, where and how to move or act during pick and place behavior may be defined by these low dimensional task dynamics and, thus, can emerge spontaneously and in real-time with little a priori planning. PMID:28701975

Simulation-Based Analysis of Reentry Dynamics for the Sharp Atmospheric Entry Vehicle

NASA Technical Reports Server (NTRS)

Tillier, Clemens Emmanuel

1998-01-01

This thesis describes the analysis of the reentry dynamics of a high-performance lifting atmospheric entry vehicle through numerical simulation tools. The vehicle, named SHARP, is currently being developed by the Thermal Protection Materials and Systems branch of NASA Ames Research Center, Moffett Field, California. The goal of this project is to provide insight into trajectory tradeoffs and vehicle dynamics using simulation tools that are powerful, flexible, user-friendly and inexpensive. Implemented Using MATLAB and SIMULINK, these tools are developed with an eye towards further use in the conceptual design of the SHARP vehicle's trajectory and flight control systems. A trajectory simulator is used to quantify the entry capabilities of the vehicle subject to various operational constraints. Using an aerodynamic database computed by NASA and a model of the earth, the simulator generates the vehicle trajectory in three-dimensional space based on aerodynamic angle inputs. Requirements for entry along the SHARP aerothermal performance constraint are evaluated for different control strategies. Effect of vehicle mass on entry parameters is investigated, and the cross range capability of the vehicle is evaluated. Trajectory results are presented and interpreted. A six degree of freedom simulator builds on the trajectory simulator and provides attitude simulation for future entry controls development. A Newtonian aerodynamic model including control surfaces and a mass model are developed. A visualization tool for interpreting simulation results is described. Control surfaces are roughly sized. A simple controller is developed to fly the vehicle along its aerothermal performance constraint using aerodynamic flaps for control. This end-to-end demonstration proves the suitability of the 6-DOF simulator for future flight control system development. Finally, issues surrounding real-time simulation with hardware in the loop are discussed.

Using the life course perspective to study the entry into the illness trajectory: The perspective of caregivers of people with Alzheimer’s disease

PubMed Central

Carpentier, Normand; Bernard, Paul; Grenier, Amanda; Guberman, Nancy

2016-01-01

The research community is showing increasing interest in the analysis of the care trajectory of people with chronic health problems, especially dementias such as Alzheimer’s disease. However, despite this interest, there is little research on the initial phases of the care trajectory. The fact that the first symptoms of dementia are generally noticed by those surrounding the elderly person suggests that the recognition of the disease is intimately linked to interactions not only amongst family members but also amongst friends, neighbours and health professionals. This study focuses on the period beginning with the first manifestations of cognitive difficulties and ending with the diagnosis of Alzheimer-type dementia. Interviews with 60 caregivers in Montreal, Canada were used to reconstruct how older people with Alzheimer-type dementia enter into the care trajectory. Our methods consisted of the analysis of social networks, social dynamics and action sequences. Our findings are presented in the form of a typology comprised of 5 pathways of entries into the care trajectory that are structured around the following four principles of the Life Course Perspective: family history, linked lives, human agency and organisational effects. We believe that analyses of the initial phases of the care trajectory, such as this one, are essential for the application of effective early detection and intervention policies. They are also central to informing future studies that seek to understand the care experience in its entirety. PMID:20207459

Routing the asteroid surface vehicle with detailed mechanics

NASA Astrophysics Data System (ADS)

Yu, Yang; Baoyin, He-Xi

2014-06-01

The motion of a surface vehicle on/above an irregular object is investigated for a potential interest in the insitu explorations to asteroids of the solar system. A global valid numeric method, including detailed gravity and geomorphology, is developed to mimic the behaviors of the test particles governed by the orbital equations and surface coupling effects. A general discussion on the surface mechanical environment of a specified asteroid, 1620 Geographos, is presented to make a global evaluation of the surface vehicle's working conditions. We show the connections between the natural trajectories near the ground and differential features of the asteroid surface, which describes both the good and bad of typical terrains from the viewpoint of vehicles' dynamic performances. Monte Carlo simulations are performed to take a further look at the trajectories of particles initializing near the surface. The simulations reveal consistent conclusions with the analysis, i.e., the open-field flat ground and slightly concave basins/valleys are the best choices for the vehicles' dynamical security. The dependence of decending trajectories on the releasing height is studied as an application; the results show that the pole direction (where the centrifugal force is zero) is the most stable direction in which the shift of a natural trajectory will be well limited after landing. We present this work as an example for pre-analysis that provides guidance to engineering design of the exploration site and routing the surface vehicles.

Postnatal brain development: Structural imaging of dynamic neurodevelopmental processes

PubMed Central

Jernigan, Terry L.; Baaré, William F. C.; Stiles, Joan; Madsen, Kathrine Skak

2013-01-01

After birth, there is striking biological and functional development of the brain’s fiber tracts as well as remodeling of cortical and subcortical structures. Behavioral development in children involves a complex and dynamic set of genetically guided processes by which neural structures interact constantly with the environment. This is a protracted process, beginning in the third week of gestation and continuing into early adulthood. Reviewed here are studies using structural imaging techniques, with a special focus on diffusion weighted imaging, describing age-related brain maturational changes in children and adolescents, as well as studies that link these changes to behavioral differences. Finally, we discuss evidence for effects on the brain of several factors that may play a role in mediating these brain–behavior associations in children, including genetic variation, behavioral interventions, and hormonal variation associated with puberty. At present longitudinal studies are few, and we do not yet know how variability in individual trajectories of biological development in specific neural systems map onto similar variability in behavioral trajectories. PMID:21489384

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

PubMed

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

2017-08-14

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

Molecular modeling studies of substrate binding by penicillin acylase.

PubMed

Chilov, G G; Stroganov, O V; Svedas, V K

2008-01-01

Molecular modeling has revealed intimate details of the mechanism of binding of natural substrate, penicillin G (PG), in the penicillin acylase active center and solved questions raised by analysis of available X-ray structures, mimicking Michaelis complex, which substantially differ in the binding pattern of the PG leaving group. Three MD trajectories were launched, starting from PDB complexes of the inactive mutant enzyme with PG (1FXV) and native penicillin acylase with sluggishly hydrolyzed substrate analog penicillin G sulfoxide (1GM9), or from the complex obtained by PG docking. All trajectories converged to a similar PG binding mode, which represented the near-to-attack conformation, consistent with chemical criteria of how reactive Michaelis complex should look. Simulated dynamic structure of the enzyme-substrate complex differed significantly from 1FXV, resembling rather 1GM9; however, additional contacts with residues bG385, bS386, and bN388 have been found, which were missing in X-ray structures. Combination of molecular docking and molecular dynamics also clarified the nature of extremely effective phenol binding in the hydrophobic pocket of penicillin acylase, which lacked proper explanation from crystallographic experiments. Alternative binding modes of phenol were probed, and corresponding trajectories converged to a single binding pattern characterized by a hydrogen bond between the phenol hydroxyl and the main chain oxygen of bS67, which was not evident from the crystal structure. Observation of the trajectory, in which phenol moved from its steady bound to pre-dissociation state, mapped the consequence of molecular events governing the conformational transitions in a coil region a143-a146 coupled to substrate binding and release of the reaction products. The current investigation provided information on dynamics of the conformational transitions accompanying substrate binding and significance of poorly structured and flexible regions in maintaining catalytic framework.

Procrustean rotation in concert with principal component analysis of molecular dynamics trajectories: Quantifying global and local differences between conformational samples.

PubMed

Oblinsky, Daniel G; Vanschouwen, Bryan M B; Gordon, Heather L; Rothstein, Stuart M

2009-12-14

Given the principal component analysis (PCA) of a molecular dynamics (MD) conformational trajectory for a model protein, we perform orthogonal Procrustean rotation to "best fit" the PCA squared-loading matrix to that of a target matrix computed for a related but different molecular system. The sum of squared deviations of the elements of the rotated matrix from those of the target, known as the error of fit (EOF), provides a quantitative measure of the dissimilarity between the two conformational samples. To estimate precision of the EOF, we perform bootstrap resampling of the molecular conformations within the trajectories, generating a distribution of EOF values for the system and target. The average EOF per variable is determined and visualized to ascertain where, locally, system and target sample properties differ. We illustrate this approach by analyzing MD trajectories for the wild-type and four selected mutants of the beta1 domain of protein G.

Procrustean rotation in concert with principal component analysis of molecular dynamics trajectories: Quantifying global and local differences between conformational samples

NASA Astrophysics Data System (ADS)

Oblinsky, Daniel G.; VanSchouwen, Bryan M. B.; Gordon, Heather L.; Rothstein, Stuart M.

2009-12-01

Given the principal component analysis (PCA) of a molecular dynamics (MD) conformational trajectory for a model protein, we perform orthogonal Procrustean rotation to "best fit" the PCA squared-loading matrix to that of a target matrix computed for a related but different molecular system. The sum of squared deviations of the elements of the rotated matrix from those of the target, known as the error of fit (EOF), provides a quantitative measure of the dissimilarity between the two conformational samples. To estimate precision of the EOF, we perform bootstrap resampling of the molecular conformations within the trajectories, generating a distribution of EOF values for the system and target. The average EOF per variable is determined and visualized to ascertain where, locally, system and target sample properties differ. We illustrate this approach by analyzing MD trajectories for the wild-type and four selected mutants of the β1 domain of protein G.

Evaluation of a computer-generated perspective tunnel display for flight path following

NASA Technical Reports Server (NTRS)

Grunwald, A. J.; Robertson, J. B.; Hatfield, J. J.

1980-01-01

The display was evaluated by monitoring pilot performance in a fixed base simulator with the vehicle dynamics of a CH-47 tandem rotor helicopter. Superposition of the predicted future vehicle position on the tunnel image was also investigated to determine whether, and to what extent, it contributes to better system performance (the best predicted future vehicle position was sought). Three types of simulator experiments were conducted: following a desired trajectory in the presence of disturbances; entering the trajectory from a random position, outside the trajectory; detecting and correcting failures in automatic flight. The tunnel display with superimposed predictor/director symbols was shown to be a very successful combination, which outperformed the other two displays in all three experiments. A prediction time of 4 to 7 sec. was found to optimize trajectory tracking for the given vehicle dynamics and flight condition. Pilot acceptance of the tunnel plus predictor/director display was found to be favorable and the time the pilot needed for familiarization with the display was found to be relatively short.

Six-Degree-of-Freedom Trajectory Optimization Utilizing a Two-Timescale Collocation Architecture

NASA Technical Reports Server (NTRS)

Desai, Prasun N.; Conway, Bruce A.

2005-01-01

Six-degree-of-freedom (6DOF) trajectory optimization of a reentry vehicle is solved using a two-timescale collocation methodology. This class of 6DOF trajectory problems are characterized by two distinct timescales in their governing equations, where a subset of the states have high-frequency dynamics (the rotational equations of motion) while the remaining states (the translational equations of motion) vary comparatively slowly. With conventional collocation methods, the 6DOF problem size becomes extraordinarily large and difficult to solve. Utilizing the two-timescale collocation architecture, the problem size is reduced significantly. The converged solution shows a realistic landing profile and captures the appropriate high-frequency rotational dynamics. A large reduction in the overall problem size (by 55%) is attained with the two-timescale architecture as compared to the conventional single-timescale collocation method. Consequently, optimum 6DOF trajectory problems can now be solved efficiently using collocation, which was not previously possible for a system with two distinct timescales in the governing states.

Trajectory planning and optimal tracking for an industrial mobile robot

NASA Astrophysics Data System (ADS)

Hu, Huosheng; Brady, J. Michael; Probert, Penelope J.

1994-02-01

This paper introduces a unified approach to trajectory planning and tracking for an industrial mobile robot subject to non-holonomic constraints. We show (1) how a smooth trajectory is generated that takes into account the constraints from the dynamic environment and the robot kinematics; and (2) how a general predictive controller works to provide optimal tracking capability for nonlinear systems. The tracking performance of the proposed guidance system is analyzed by simulation.

Optimal control and optimal trajectories of regional macroeconomic dynamics based on the Pontryagin maximum principle

NASA Astrophysics Data System (ADS)

Bulgakov, V. K.; Strigunov, V. V.

2009-05-01

The Pontryagin maximum principle is used to prove a theorem concerning optimal control in regional macroeconomics. A boundary value problem for optimal trajectories of the state and adjoint variables is formulated, and optimal curves are analyzed. An algorithm is proposed for solving the boundary value problem of optimal control. The performance of the algorithm is demonstrated by computing an optimal control and the corresponding optimal trajectories.

Overview of Orion Crew Module and Launch Abort Vehicle Dynamic Stability

NASA Technical Reports Server (NTRS)

Owens, Donald B.; Aibicjpm. Vamessa V.

2011-01-01

With the retirement of the Space Shuttle, NASA is designing a new spacecraft, called Orion, to fly astronauts to low earth orbit and beyond. Characterization of the dynamic stability of the Orion spacecraft is important for the design of the spacecraft and trajectory construction. Dynamic stability affects the stability and control of the Orion Crew Module during re-entry, especially below Mach = 2.0 and including flight under the drogues. The Launch Abort Vehicle is affected by dynamic stability as well, especially during the re-orientation and heatshield forward segments of the flight. The dynamic stability was assessed using the forced oscillation technique, free-to-oscillate, ballistic range, and sub-scale free-flight tests. All of the test techniques demonstrated that in heatshield-forward flight the Crew Module and Launch Abort Vehicle are dynamically unstable in a significant portion of their flight trajectory. This paper will provide a brief overview of the Orion dynamic aero program and a high-level summary of the dynamic stability characteristics of the Orion spacecraft.

Lagrangian predictability characteristics of an Ocean Model

NASA Astrophysics Data System (ADS)

Lacorata, Guglielmo; Palatella, Luigi; Santoleri, Rosalia

2014-11-01

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

Experimental Studies and Dynamics Modeling Analysis of the Swimming and Diving of Whirligig Beetles (Coleoptera: Gyrinidae)

PubMed Central

Jia, Xinghua; Zhang, Mingjun

2012-01-01

Whirligig beetles (Coleoptera, Gyrinidae) can fly through the air, swiftly swim on the surface of water, and quickly dive across the air-water interface. The propulsive efficiency of the species is believed to be one of the highest measured for a thrust generating apparatus within the animal kingdom. The goals of this research were to understand the distinctive biological mechanisms that allow the beetles to swim and dive, while searching for potential bio-inspired robotics applications. Through static and dynamic measurements obtained using a combination of microscopy and high-speed imaging, parameters associated with the morphology and beating kinematics of the whirligig beetle's legs in swimming and diving were obtained. Using data obtained from these experiments, dynamics models of both swimming and diving were developed. Through analysis of simulations conducted using these models it was possible to determine several key principles associated with the swimming and diving processes. First, we determined that curved swimming trajectories were more energy efficient than linear trajectories, which explains why they are more often observed in nature. Second, we concluded that the hind legs were able to propel the beetle farther than the middle legs, and also that the hind legs were able to generate a larger angular velocity than the middle legs. However, analysis of circular swimming trajectories showed that the middle legs were important in maintaining stable trajectories, and thus were necessary for steering. Finally, we discovered that in order for the beetle to transition from swimming to diving, the legs must change the plane in which they beat, which provides the force required to alter the tilt angle of the body necessary to break the surface tension of water. We have further examined how the principles learned from this study may be applied to the design of bio-inspired swimming/diving robots. PMID:23209398

Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories.

PubMed

Haider, Kamran; Cruz, Anthony; Ramsey, Steven; Gilson, Michael K; Kurtzman, Tom

2018-01-09

We have developed SSTMap, a software package for mapping structural and thermodynamic water properties in molecular dynamics trajectories. The package introduces automated analysis and mapping of local measures of frustration and enhancement of water structure. The thermodynamic calculations are based on Inhomogeneous Fluid Solvation Theory (IST), which is implemented using both site-based and grid-based approaches. The package also extends the applicability of solvation analysis calculations to multiple molecular dynamics (MD) simulation programs by using existing cross-platform tools for parsing MD parameter and trajectory files. SSTMap is implemented in Python and contains both command-line tools and a Python module to facilitate flexibility in setting up calculations and for automated generation of large data sets involving analysis of multiple solutes. Output is generated in formats compatible with popular Python data science packages. This tool will be used by the molecular modeling community for computational analysis of water in problems of biophysical interest such as ligand binding and protein function.

Autonomous Guidance of Agile Small-scale Rotorcraft

NASA Technical Reports Server (NTRS)

Mettler, Bernard; Feron, Eric

2004-01-01

This report describes a guidance system for agile vehicles based on a hybrid closed-loop model of the vehicle dynamics. The hybrid model represents the vehicle dynamics through a combination of linear-time-invariant control modes and pre-programmed, finite-duration maneuvers. This particular hybrid structure can be realized through a control system that combines trim controllers and a maneuvering control logic. The former enable precise trajectory tracking, and the latter enables trajectories at the edge of the vehicle capabilities. The closed-loop model is much simpler than the full vehicle equations of motion, yet it can capture a broad range of dynamic behaviors. It also supports a consistent link between the physical layer and the decision-making layer. The trajectory generation was formulated as an optimization problem using mixed-integer-linear-programming. The optimization is solved in a receding horizon fashion. Several techniques to improve the computational tractability were investigate. Simulation experiments using NASA Ames 'R-50 model show that this approach fully exploits the vehicle's agility.

Dynamics and control of quadcopter using linear model predictive control approach

NASA Astrophysics Data System (ADS)

Islam, M.; Okasha, M.; Idres, M. M.

2017-12-01

This paper investigates the dynamics and control of a quadcopter using the Model Predictive Control (MPC) approach. The dynamic model is of high fidelity and nonlinear, with six degrees of freedom that include disturbances and model uncertainties. The control approach is developed based on MPC to track different reference trajectories ranging from simple ones such as circular to complex helical trajectories. In this control technique, a linearized model is derived and the receding horizon method is applied to generate the optimal control sequence. Although MPC is computer expensive, it is highly effective to deal with the different types of nonlinearities and constraints such as actuators’ saturation and model uncertainties. The MPC parameters (control and prediction horizons) are selected by trial-and-error approach. Several simulation scenarios are performed to examine and evaluate the performance of the proposed control approach using MATLAB and Simulink environment. Simulation results show that this control approach is highly effective to track a given reference trajectory.

Developmental changes in children's understanding of horizontal projectile motion.

PubMed

Mou, Yi; Zhu, Liqi; Chen, Zhe

2015-08-01

This study investigated 5- to 13-year-old children's performance in solving horizontal projectile motion problems, in which they predicted the trajectory of a carried object released from a carrier in three different contexts. The results revealed that 5- and 8-year-olds' trajectory predictions were easily distracted by salient contextual features (e.g. the relative spatial locations between objects), whereas a proportion of 11- and 13-year-olds' performance suggested the engagement of the impetus concept in trajectory prediction. The impetus concept is a typical misconception of inertial motion that assumes that motion is caused by force. Children's performance across ages suggested that their naïve knowledge of projectile motion was neither well-developed and coherent nor completely fragmented. Instead, this study presented the dynamic process in which children with age gradually overcame the influences of contextual features and consistently used the impetus concept across motion problems. © 2014 International Union of Psychological Science.

INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY Trajectory Control of Scale-Free Dynamical Networks with Exogenous Disturbances

NASA Astrophysics Data System (ADS)

Yang, Hong-Yong; Zhang, Shun; Zong, Guang-Deng

2011-01-01

In this paper, the trajectory control of multi-agent dynamical systems with exogenous disturbances is studied. Suppose multiple agents composing of a scale-free network topology, the performance of rejecting disturbances for the low degree node and high degree node is analyzed. Firstly, the consensus of multi-agent systems without disturbances is studied by designing a pinning control strategy on a part of agents, where this pinning control can bring multiple agents' states to an expected consensus track. Then, the influence of the disturbances is considered by developing disturbance observers, and disturbance observers based control (DOBC) are developed for disturbances generated by an exogenous system to estimate the disturbances. Asymptotical consensus of the multi-agent systems with disturbances under the composite controller can be achieved for scale-free network topology. Finally, by analyzing examples of multi-agent systems with scale-free network topology and exogenous disturbances, the verities of the results are proved. Under the DOBC with the designed parameters, the trajectory convergence of multi-agent systems is researched by pinning two class of the nodes. We have found that it has more stronger robustness to exogenous disturbances for the high degree node pinned than that of the low degree node pinned.

Classical trajectory studies of gas phase reaction dynamics and kinetics using ab initio potential energy surfaces

NASA Technical Reports Server (NTRS)

Jaffe, Richard L.; Pattengill, Merle D.; Schwenke, David W.

1989-01-01

Strategies for constructing global potential energy surfaces from a limited number of accurate ab initio electronic energy calculations are discussed. Generally, these data are concentrated in small regions of configuration space (e.g., in the vicinity of saddle points and energy minima) and difficulties arise in generating a potential function that is globally well-behaved. Efficient computer codes for carrying out classical trajectory calculations on vector and parallel processors are also described. Illustrations are given from recent work on the following chemical systems: Ca + HF yields CaF + H, H + H + H2 yields H2 + H2, N + O2 yields NO + O and O + N2 yields NO + N. The dynamics and kinetics of metathesis, dissociation, recombination, energy transfer and complex formation processes will be discussed.

Integrated direct/indirect adaptive robust motion trajectory tracking control of pneumatic cylinders

NASA Astrophysics Data System (ADS)

Meng, Deyuan; Tao, Guoliang; Zhu, Xiaocong

2013-09-01

This paper studies the precision motion trajectory tracking control of a pneumatic cylinder driven by a proportional-directional control valve. An integrated direct/indirect adaptive robust controller is proposed. The controller employs a physical model based indirect-type parameter estimation to obtain reliable estimates of unknown model parameters, and utilises a robust control method with dynamic compensation type fast adaptation to attenuate the effects of parameter estimation errors, unmodelled dynamics and disturbances. Due to the use of projection mapping, the robust control law and the parameter adaption algorithm can be designed separately. Since the system model uncertainties are unmatched, the recursive backstepping technology is adopted to design the robust control law. Extensive comparative experimental results are presented to illustrate the effectiveness of the proposed controller and its performance robustness to parameter variations and sudden disturbances.

Shuttle Atlantis to deploy Galileo probe toward Jupiter

NASA Technical Reports Server (NTRS)

1989-01-01

The objectives of Space Shuttle Mission STS-34 are described along with major flight activities, prelaunch and launch operations, trajectory sequence of events, and landing and post-landing operations. The primary objective of STS-34 is to deploy the Galileo planetary exploration spacecraft into low earth orbit. Following deployment, Galileo will be propelled on a trajectory, known as Venus-Earth-Earth Gravity Assist (VEEGA), by an inertial upper stage (IUS). The objectives of the Galileo mission are to study the chemical composition, state, and dynamics of the Jovian atmosphere and satellites, and investigate the structure and physical dynamics of the Jovian magnetosphere. Secondary STS-34 payloads include the Shuttle Solar Backscatter Ultraviolet (SSBUV) instrument; the Mesoscale Lightning Experiment (MLE); and various other payloads involving polymer morphology, the effects of microgravity on plant growth hormone, and the growth of ice crystals.

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

USGS Publications Warehouse

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

2014-01-01

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

Investigating the Dynamics of Suicidal Ideation.

PubMed

Hallensleben, Nina; Spangenberg, Lena; Forkmann, Thomas; Rath, Dajana; Hegerl, Ulrich; Kersting, Anette; Kallert, Thomas W; Glaesmer, Heide

2018-01-01

Although the fluctuating nature of suicidal ideation (SI) has been described previously, longitudinal studies investigating the dynamics of SI are scarce. To demonstrate the fluctuation of SI across 6 days and up to 60 measurement points using smartphone-based ecological momentary assessments (EMA). Twenty inpatients with unipolar depression and current and/or lifetime suicidal ideation rated their momentary SI 10 times per day over a 6-day period. Mean squared successive difference (MSSD) was calculated as a measure of variability. Correlations of MSSD with severity of depression, number of previous depressive episodes, and history of suicidal behavior were examined. Individual trajectories of SI are shown to illustrate fluctuation. MSSD values ranged from 0.2 to 21.7. No significant correlations of MSSD with several clinical parameters were found, but there are hints of associations between fluctuation of SI and severity of depression and suicidality. Main limitation of this study is the small sample size leading to low power and probably missing potential effects. Further research with larger samples is necessary to shed light on the dynamics of SI. The results illustrate the dynamic nature and the diversity of trajectories of SI across 6 days in psychiatric inpatients with unipolar depression. Prediction of the fluctuation of SI might be of high clinical relevance. Further research using EMA and sophisticated analyses with larger samples is necessary to shed light on the dynamics of SI.

Tracking Debris Shed by a Space-Shuttle Launch Vehicle

NASA Technical Reports Server (NTRS)

Stuart, Phillip C.; Rogers, Stuart E.

2009-01-01

The DEBRIS software predicts the trajectories of debris particles shed by a space-shuttle launch vehicle during ascent, to aid in assessing potential harm to the space-shuttle orbiter and crew. The user specifies the location of release and other initial conditions for a debris particle. DEBRIS tracks the particle within an overset grid system by means of a computational fluid dynamics (CFD) simulation of the local flow field and a ballistic simulation that takes account of the mass of the particle and its aerodynamic properties in the flow field. The computed particle trajectory is stored in a file to be post-processed by other software for viewing and analyzing the trajectory. DEBRIS supplants a prior debris tracking code that took .15 minutes to calculate a single particle trajectory: DEBRIS can calculate 1,000 trajectories in .20 seconds on a desktop computer. Other improvements over the prior code include adaptive time-stepping to ensure accuracy, forcing at least one step per grid cell to ensure resolution of all CFD-resolved flow features, ability to simulate rebound of debris from surfaces, extensive error checking, a builtin suite of test cases, and dynamic allocation of memory.

Equilibrium sampling by reweighting nonequilibrium simulation trajectories

NASA Astrophysics Data System (ADS)

Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

2016-03-01

Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

Moving-window dynamic optimization: design of stimulation profiles for walking.

PubMed

Dosen, Strahinja; Popović, Dejan B

2009-05-01

The overall goal of the research is to improve control for electrical stimulation-based assistance of walking in hemiplegic individuals. We present the simulation for generating offline input (sensors)-output (intensity of muscle stimulation) representation of walking that serves in synthesizing a rule-base for control of electrical stimulation for restoration of walking. The simulation uses new algorithm termed moving-window dynamic optimization (MWDO). The optimization criterion was to minimize the sum of the squares of tracking errors from desired trajectories with the penalty function on the total muscle efforts. The MWDO was developed in the MATLAB environment and tested using target trajectories characteristic for slow-to-normal walking recorded in healthy individual and a model with the parameters characterizing the potential hemiplegic user. The outputs of the simulation are piecewise constant intensities of electrical stimulation and trajectories generated when the calculated stimulation is applied to the model. We demonstrated the importance of this simulation by showing the outputs for healthy and hemiplegic individuals, using the same target trajectories. Results of the simulation show that the MWDO is an efficient tool for analyzing achievable trajectories and for determining the stimulation profiles that need to be delivered for good tracking.

Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

PubMed

Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

2016-03-01

Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

Optimal Control of Induction Machines to Minimize Transient Energy Losses

NASA Astrophysics Data System (ADS)

Plathottam, Siby Jose

Induction machines are electromechanical energy conversion devices comprised of a stator and a rotor. Torque is generated due to the interaction between the rotating magnetic field from the stator, and the current induced in the rotor conductors. Their speed and torque output can be precisely controlled by manipulating the magnitude, frequency, and phase of the three input sinusoidal voltage waveforms. Their ruggedness, low cost, and high efficiency have made them ubiquitous component of nearly every industrial application. Thus, even a small improvement in their energy efficient tend to give a large amount of electrical energy savings over the lifetime of the machine. Hence, increasing energy efficiency (reducing energy losses) in induction machines is a constrained optimization problem that has attracted attention from researchers. The energy conversion efficiency of induction machines depends on both the speed-torque operating point, as well as the input voltage waveform. It also depends on whether the machine is in the transient or steady state. Maximizing energy efficiency during steady state is a Static Optimization problem, that has been extensively studied, with commercial solutions available. On the other hand, improving energy efficiency during transients is a Dynamic Optimization problem that is sparsely studied. This dissertation exclusively focuses on improving energy efficiency during transients. This dissertation treats the transient energy loss minimization problem as an optimal control problem which consists of a dynamic model of the machine, and a cost functional. The rotor field oriented current fed model of the induction machine is selected as the dynamic model. The rotor speed and rotor d-axis flux are the state variables in the dynamic model. The stator currents referred to as d-and q-axis currents are the control inputs. A cost functional is proposed that assigns a cost to both the energy losses in the induction machine, as well as the deviations from desired speed-torque-magnetic flux setpoints. Using Pontryagin's minimum principle, a set of necessary conditions that must be satisfied by the optimal control trajectories are derived. The conditions are in the form a two-point boundary value problem, that can be solved numerically. The conjugate gradient method that was modified using the Hestenes-Stiefel formula was used to obtain the numerical solution of both the control and state trajectories. Using the distinctive shape of the numerical trajectories as inspiration, analytical expressions were derived for the state, and control trajectories. It was shown that the trajectory could be fully described by finding the solution of a one-dimensional optimization problem. The sensitivity of both the optimal trajectory and the optimal energy efficiency to different induction machine parameters were analyzed. A non-iterative solution that can use feedback for generating optimal control trajectories in real time was explored. It was found that an artificial neural network could be trained using the numerical solutions and made to emulate the optimal control trajectories with a high degree of accuracy. Hence a neural network along with a supervisory logic was implemented and used in a real-time simulation to control the Finite Element Method model of the induction machine. The results were compared with three other control regimes and the optimal control system was found to have the highest energy efficiency for the same drive cycle.

Trajectory Design Tools for Libration and Cis-Lunar Environments

NASA Technical Reports Server (NTRS)

Folta, David C.; Webster, Cassandra M.; Bosanac, Natasha; Cox, Andrew; Guzzetti, Davide; Howell, Kathleen C.

2016-01-01

Innovative trajectory design tools are required to support challenging multi-body regimes with complex dynamics, uncertain perturbations, and the integration of propulsion influences. Two distinctive tools, Adaptive Trajectory Design and the General Mission Analysis Tool have been developed and certified to provide the astrodynamics community with the ability to design multi-body trajectories. In this paper we discuss the multi-body design process and the capabilities of both tools. Demonstrable applications to confirmed missions, the Lunar IceCube Cubesat lunar mission and the Wide-Field Infrared Survey Telescope (WFIRST) Sun-Earth L2 mission, are presented.

Dynamics of a bouncing ball

NASA Astrophysics Data System (ADS)

Chastaing, J.-Y.; Bertin, E.; Géminard, J.-C.

2015-06-01

We describe an experiment dedicated to the study of the trajectories of a ball bouncing on a vibrating plate. Using an experimental device of our own design, it is possible to impose arbitrary trajectories on the plate and we show that the entire trajectory of the ball can be reconstructed solely from measurement of the times the ball hits the plate. In this paper, we make use of our apparatus to introduce the notion of dissipative collisions and to propose three different ways to measure the associated restitution coefficient. We then report on correlations in the chaotic regime and theoretically discuss the complex patterns that are exhibited in the case of a sinusoidal vibration. Lastly, we show that the use of an aperiodic driving vibration makes it possible to minimize part of these correlations.

Process Study of Oceanic Responses to Typhoons Using Arrays of EM-APEX Floats and Moorings

DTIC Science & Technology

2012-09-30

maximum potential intensity, structure , energy, trajectory, and dynamic evolution. The most energetic oceanic responses to tropical cyclone forcing are...during tropical cyclone passage will aid understanding of storm dynamics and structure . The ocean’s recovery after tropical cyclone passage depends...days). The wake was advected hundreds of kilometers from the storm track by a pre- existing mesoscale eddy. Its thermal structure could not be

Molecular Dynamics Simulation Studies of Fracture in Two Dimensions

DTIC Science & Technology

1980-05-01

reversibility of trajectories. The microscopic elastic constants, dispersion relation and phonon spectrum of the system were determined by lattice dynamics. These... linear elasticity theory of a two-dimensional crack embedded in an infinite medium. System con- sists of 436 particles arranged in a tri- angular lattice ...satisfying these demands. In evaluating the mechanical energy of his model, Griffith used a result from linear elasticity theory, namely that for any body

Learning of Chunking Sequences in Cognition and Behavior

PubMed Central

Rabinovich, Mikhail

2015-01-01

We often learn and recall long sequences in smaller segments, such as a phone number 858 534 22 30 memorized as four segments. Behavioral experiments suggest that humans and some animals employ this strategy of breaking down cognitive or behavioral sequences into chunks in a wide variety of tasks, but the dynamical principles of how this is achieved remains unknown. Here, we study the temporal dynamics of chunking for learning cognitive sequences in a chunking representation using a dynamical model of competing modes arranged to evoke hierarchical Winnerless Competition (WLC) dynamics. Sequential memory is represented as trajectories along a chain of metastable fixed points at each level of the hierarchy, and bistable Hebbian dynamics enables the learning of such trajectories in an unsupervised fashion. Using computer simulations, we demonstrate the learning of a chunking representation of sequences and their robust recall. During learning, the dynamics associates a set of modes to each information-carrying item in the sequence and encodes their relative order. During recall, hierarchical WLC guarantees the robustness of the sequence order when the sequence is not too long. The resulting patterns of activities share several features observed in behavioral experiments, such as the pauses between boundaries of chunks, their size and their duration. Failures in learning chunking sequences provide new insights into the dynamical causes of neurological disorders such as Parkinson’s disease and Schizophrenia. PMID:26584306

Wave Field Synthesis of moving sources with arbitrary trajectory and velocity profile.

PubMed

Firtha, Gergely; Fiala, Péter

2017-08-01

The sound field synthesis of moving sound sources is of great importance when dynamic virtual sound scenes are to be reconstructed. Previous solutions considered only virtual sources moving uniformly along a straight trajectory, synthesized employing a linear loudspeaker array. This article presents the synthesis of point sources following an arbitrary trajectory. Under high-frequency assumptions 2.5D Wave Field Synthesis driving functions are derived for arbitrary shaped secondary source contours by adapting the stationary phase approximation to the dynamic description of sources in motion. It is explained how a referencing function should be chosen in order to optimize the amplitude of synthesis on an arbitrary receiver curve. Finally, a finite difference implementation scheme is considered, making the presented approach suitable for real-time applications.

Some surprising manifestations of charged particle dynamics in a magnetic field

NASA Astrophysics Data System (ADS)

Varma, Ram K.

2010-08-01

We present here some very unusual experimental results on the dynamics of charged particle in a magnetic field which cannot be comprehended in terms of the Lorentz dynamics regarded, as per the current conceptual framework, as the appropriate one for the macro-scale description. Astonishingly, these results have been shown to be manifestations of a novel macro-scale quantum structure, designated as ‘transition amplitude wave’ (TAW), riding with the guiding centre trajectory, which is generated in the latter trajectory in consequence of the scattering of the particle with a fixed scattering centre. One set of observed results is thus identified as matter wave interference effects on the macro-scale attributable to this entity. The other enigmatic observation demonstrates the detection of a curl-free magnetic vector potential on the macro-scale, which is also shown to be a consequence of the TAW embedded in the Lorentz trajectory. These enigmatic results thus point to the unravelling of a new concept of a ‘dressed’ Lorentz trajectory—dressed with the TAW—accountable for these results, as against the ‘bare’ trajectory. These results and the formalism which enables one to comprehend them have led to the emergence of a new class of phenomena which display quantum properties on the macro-scale.

Dynamic modeling and hierarchical compound control of a novel 2-DOF flexible parallel manipulator with multiple actuation modes

NASA Astrophysics Data System (ADS)

Liang, Dong; Song, Yimin; Sun, Tao; Jin, Xueying

2018-03-01

This paper addresses the problem of rigid-flexible coupling dynamic modeling and active control of a novel flexible parallel manipulator (PM) with multiple actuation modes. Firstly, based on the flexible multi-body dynamics theory, the rigid-flexible coupling dynamic model (RFDM) of system is developed by virtue of the augmented Lagrangian multipliers approach. For completeness, the mathematical models of permanent magnet synchronous motor (PMSM) and piezoelectric transducer (PZT) are further established and integrated with the RFDM of mechanical system to formulate the electromechanical coupling dynamic model (ECDM). To achieve the trajectory tracking and vibration suppression, a hierarchical compound control strategy is presented. Within this control strategy, the proportional-differential (PD) feedback controller is employed to realize the trajectory tracking of end-effector, while the strain and strain rate feedback (SSRF) controller is developed to restrain the vibration of the flexible links using PZT. Furthermore, the stability of the control algorithm is demonstrated based on the Lyapunov stability theory. Finally, two simulation case studies are performed to illustrate the effectiveness of the proposed approach. The results indicate that, under the redundant actuation mode, the hierarchical compound control strategy can guarantee the flexible PM achieves singularity-free motion and vibration attenuation within task workspace simultaneously. The systematic methodology proposed in this study can be conveniently extended for the dynamic modeling and efficient controller design of other flexible PMs, especially the emerging ones with multiple actuation modes.

A quantitative dynamic systems model of health-related quality of life among older adults

PubMed Central

Roppolo, Mattia; Kunnen, E Saskia; van Geert, Paul L; Mulasso, Anna; Rabaglietti, Emanuela

2015-01-01

Health-related quality of life (HRQOL) is a person-centered concept. The analysis of HRQOL is highly relevant in the aged population, which is generally suffering from health decline. Starting from a conceptual dynamic systems model that describes the development of HRQOL in individuals over time, this study aims to develop and test a quantitative dynamic systems model, in order to reveal the possible dynamic trends of HRQOL among older adults. The model is tested in different ways: first, with a calibration procedure to test whether the model produces theoretically plausible results, and second, with a preliminary validation procedure using empirical data of 194 older adults. This first validation tested the prediction that given a particular starting point (first empirical data point), the model will generate dynamic trajectories that lead to the observed endpoint (second empirical data point). The analyses reveal that the quantitative model produces theoretically plausible trajectories, thus providing support for the calibration procedure. Furthermore, the analyses of validation show a good fit between empirical and simulated data. In fact, no differences were found in the comparison between empirical and simulated final data for the same subgroup of participants, whereas the comparison between different subgroups of people resulted in significant differences. These data provide an initial basis of evidence for the dynamic nature of HRQOL during the aging process. Therefore, these data may give new theoretical and applied insights into the study of HRQOL and its development with time in the aging population. PMID:26604722

Methodological factors affecting joint moments estimation in clinical gait analysis: a systematic review.

PubMed

Camomilla, Valentina; Cereatti, Andrea; Cutti, Andrea Giovanni; Fantozzi, Silvia; Stagni, Rita; Vannozzi, Giuseppe

2017-08-18

Quantitative gait analysis can provide a description of joint kinematics and dynamics, and it is recognized as a clinically useful tool for functional assessment, diagnosis and intervention planning. Clinically interpretable parameters are estimated from quantitative measures (i.e. ground reaction forces, skin marker trajectories, etc.) through biomechanical modelling. In particular, the estimation of joint moments during motion is grounded on several modelling assumptions: (1) body segmental and joint kinematics is derived from the trajectories of markers and by modelling the human body as a kinematic chain; (2) joint resultant (net) loads are, usually, derived from force plate measurements through a model of segmental dynamics. Therefore, both measurement errors and modelling assumptions can affect the results, to an extent that also depends on the characteristics of the motor task analysed (i.e. gait speed). Errors affecting the trajectories of joint centres, the orientation of joint functional axes, the joint angular velocities, the accuracy of inertial parameters and force measurements (concurring to the definition of the dynamic model), can weigh differently in the estimation of clinically interpretable joint moments. Numerous studies addressed all these methodological aspects separately, but a critical analysis of how these aspects may affect the clinical interpretation of joint dynamics is still missing. This article aims at filling this gap through a systematic review of the literature, conducted on Web of Science, Scopus and PubMed. The final objective is hence to provide clear take-home messages to guide laboratories in the estimation of joint moments for the clinical practice.

[Vegetation spatial and temporal dynamic characteristics based on NDVI time series trajectories in grassland opencast coal mining].

PubMed

Jia, Duo; Wang, Cang Jiao; Mu, Shou Guo; Zhao, Hua

2017-06-18

The spatiotemporal dynamic patterns of vegetation in mining area are still unclear. This study utilized time series trajectory segmentation algorithm to fit Landsat NDVI time series which generated from fusion images at the most prosperous period of growth based on ESTARFM algorithm. Combining with the shape features of the fitted trajectory, this paper extracted five vegetation dynamic patterns including pre-disturbance type, continuous disturbance type, stabilization after disturbance type, stabilization between disturbance and recovery type, and recovery after disturbance type. The result indicated that recovery after disturbance type was the dominant vegetation change pattern among the five types of vegetation dynamic pattern, which accounted for 55.2% of the total number of pixels. The follows were stabilization after disturbance type and continuous disturbance type, accounting for 25.6% and 11.0%, respectively. The pre-disturbance type and stabilization between disturbance and recovery type accounted for 3.5% and 4.7%, respectively. Vegetation disturbance mainly occurred from 2004 to 2009 in Shengli mining area. The onset time of stable state was 2008 and the spatial locations mainlydistributed in open-pit stope and waste dump. The reco-very state mainly started since the year of 2008 and 2010, while the areas were small and mainly distributed at the periphery of open-pit stope and waste dump. Duration of disturbance was mainly 1 year. The duration of stable period usually sustained 7 years. The duration of recovery state of the type of stabilization between disturbances continued 2 to 5 years, while the type of recovery after disturbance often sustained 8 years.

Spousal Associations Between Functional Limitation and Depressive Symptom Trajectories: Longitudinal Findings from the Study of Asset and Health Dynamics Among the Oldest Old (AHEAD)

PubMed Central

Hoppmann, Christiane A.; Gerstorf, Denis; Hibbert, Anita

2010-01-01

Objective To examine spousal associations between functional limitation and depressive symptom trajectories in a national sample of older long-term married couples. Design We use 14.5-year longitudinal data on functional limitations and depressive symptoms from 1,704 couples participating in the Study of Asset and Health Dynamics Among the Oldest Old (AHEAD). Main Outcome Measures Activities of Daily Living and a short version of the Center for Epidemiologic Studies Depression Scale were used. Results Between-person difference findings corroborate previous research by showing that levels and changes in functional limitations and depressive symptoms are closely interrelated among wives and husbands. Importantly, our results further demonstrate sizeable associations in levels and changes in functional limitations and depressive symptoms between spouses. For example, functional limitation levels in one spouse were associated with depressive symptom levels in the respective other spouse. Spousal associations remained after controlling for individual (age, education, cognition) and spousal covariates (marriage duration, number of children) and did not differ between women and men. Conclusion Our findings highlight the important role of marital relationships in shaping health trajectories in old age because they show that some of the well-documented between-person differences in functional limitations and depressive symptoms are in fact related to spouses. PMID:21401249

Chaotic motion of comets in near-parabolic orbit: Mapping aproaches

NASA Astrophysics Data System (ADS)

Liu, Jie; Sun, Yi-Sui

1994-09-01

There exist many comets with near-parabolic orbits in the solar system. Among various theories proposed to explain their origin, the Oort cloud hypothesis seems to be the most reasonable. The theory assumes that there is a cometary cloud at a distance 103 to 107 from the sun and that perturbing forces from planets or stars make orbits of some of these comets become the near-parabolic type. Concerning the evolution of these orbits under planetary perturbations, we can raise the question: Will they stay in the solar system forever or will they escape from it? This is an attractive dynamical problem. If we go ahead by directly solving the dynamical differential equations, we may encounter the difficulty of long-time computation. For the orbits of these comets are near-parabolic and their periods are too long to study on their long-term evolution. With mapping approaches the difficulty will be overcome. In another aspect, the study of this model has special meaning for chaotic dynamics. We know that in the neighborhood of any separatrix i.e. the trajectory with zero frequency of the uperturbed motion of a Hamiltonian system, some chaotic motions have to be expected. Actually, the simplest example of separatrix is the parabolic trajectory of the two-body problem which separates the bounded and unbounded motion. From this point of view, the dynamical study of near-parabolic motion is very important. Petrosky's elegant but more abstract deduction gives a Kepler mapping which describes the dynamics of the cometary motion. In this paper we derive a similar mapping directly and discuss its dynamical characters.

Trajectories of Limitations in Activities of Daily Living among Older Adults in Mexico, 2001–2012

PubMed Central

Wong, Rebeca

2016-01-01

Background Trajectories of disability are an essential component to understand the burden of disability at the societal level. Longitudinal studies, compared to cross-national studies, enable a better analysis of the progression of physical limitations among the elderly. However, information on disability dynamics in developing countries is limited. Objectives This paper examines the changes in activities of daily living (ADLs) in an 11-yr. period in the Mexican elderly population aged 60 or older and identifies how sociodemographic variables alter these trajectories. Methods The data come from the Mexican Health and Aging Study (MHAS), a national sample of adults born in 1951 or earlier, including a baseline survey in 2001 and follow-ups in 2003 and 2012. Results The ADL score increased on average by 0.03 for every year respondents aged after 60. In contrast, the ADL score was reduced by 0.06 for every additional year of education. Conclusions Age, gender, and years of education were confirmed to influence the trajectories of ADL limitations. Understanding the patterns of deterioration of functional limitations will help inform public health policies to better serve the population. PMID:26993585

Trajectories of limitations in activities of daily living among older adults in Mexico, 2001-2012.

PubMed

Díaz-Venegas, Carlos; Wong, Rebeca

2016-07-01

Trajectories of disability are an essential component to understand the burden of disability at the societal level. Longitudinal studies, compared to cross-national studies, enable a better analysis of the progression of physical limitations among the elderly. However, information on disability dynamics in developing countries is limited. This paper examines the changes in activities of daily living (ADLs) in an 11-yr. period in the Mexican elderly population aged 60 or older and identifies how sociodemographic variables alter these trajectories. The data come from the Mexican Health and Aging Study (MHAS), a national sample of adults born in 1951 or earlier, including a baseline survey in 2001 and follow-ups in 2003 and 2012. The ADL score increased on average by 0.03 for every year respondents aged after 60. In contrast, the ADL score was reduced by 0.06 for every additional year of education. Age, gender, and years of education were confirmed to influence the trajectories of ADL limitations. Understanding the patterns of deterioration of functional limitations will help public health policies to better serve the population. Copyright © 2016 Elsevier Inc. All rights reserved.

Trajectories of Work Disability and Economic Insecurity Approaching Retirement.

PubMed

Shuey, Kim M; Willson, Andrea E

2017-07-08

In this article, we examine the connection between trajectories of work disability and economic precarity in late midlife. We conceptualize work disability as a possible mechanism linking early and later life economic disadvantage. We model trajectories of work disability characterized by timing and stability for a cohort of Baby Boomers (22-32 in 1981) using 32 years of data from the Panel Study of Income Dynamics and latent class analysis. Measures of childhood disadvantage are included as predictors of work disability trajectories, which are subsequently included in logistic regression models predicting four economic outcomes (poverty, asset poverty, home ownership, and pension ownership) at ages 54-64. Childhood disadvantage selected individuals into five distinct classes of work disability that differed in timing and stability. All of the disability trajectories were associated with an increased risk of economic insecurity in late midlife compared to the never work disabled. This study contributes to the aging literature through its incorporation of the early life origins of pathways of disability and their links to economic outcomes approaching retirement. Findings suggest work disability is anchored in early life disadvantage and is associated with economic insecurity later in life. © The Author 2017. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Distinct longitudinal patterns of absenteeism and their antecedents in full-time Australian employees.

PubMed

Magee, Christopher A; Caputi, Peter; Lee, Jeong Kyu

2016-01-01

This paper investigated distinct longitudinal trajectories of absenteeism over time, and underlying demographic, work, and health antecedents. Data from the Household, Income, and Labor Dynamics in Australia Survey were used; this is a panel study of a representative sample of Australian households. This paper focused on 2,481 full-time employees across a 5-year period. Information on annual sick leave and relevant sociodemographic, work, and health-related factors was collected through interviews and self-completed surveys. Growth mixture modeling indicated 4 distinct longitudinal patterns of absenteeism over time. The moderate absenteeism trajectory (34.8%) of the sample had 4-5 days of sick leave per year and was used as the reference group. The low absenteeism trajectory (33.5%) had 1-2 days of absenteeism per year, while the no absenteeism trajectory (23.6%) had very low rates of absenteeism (<1 day per year). Finally, a smaller trajectory accounting for 8.1% of the sample had high levels of absenteeism (>11 days per year). Compared with the moderate absenteeism trajectory, the high absenteeism trajectory was characterized by poor health; the no absenteeism and low absenteeism trajectories had better health but may also reflect processes relating to presenteeism. These results provide important insights into the nature of absenteeism in Australian employees, and suggest that different patterns of absenteeism over time could reflect a range of demographic, work, and health related factors. (c) 2016 APA, all rights reserved).

Molecular dynamics study of naturally existing cavity couplings in proteins.

PubMed

Barbany, Montserrat; Meyer, Tim; Hospital, Adam; Faustino, Ignacio; D'Abramo, Marco; Morata, Jordi; Orozco, Modesto; de la Cruz, Xavier

2015-01-01

Couplings between protein sub-structures are a common property of protein dynamics. Some of these couplings are especially interesting since they relate to function and its regulation. In this article we have studied the case of cavity couplings because cavities can host functional sites, allosteric sites, and are the locus of interactions with the cell milieu. We have divided this problem into two parts. In the first part, we have explored the presence of cavity couplings in the natural dynamics of 75 proteins, using 20 ns molecular dynamics simulations. For each of these proteins, we have obtained two trajectories around their native state. After applying a stringent filtering procedure, we found significant cavity correlations in 60% of the proteins. We analyze and discuss the structure origins of these correlations, including neighbourhood, cavity distance, etc. In the second part of our study, we have used longer simulations (≥100 ns) from the MoDEL project, to obtain a broader view of cavity couplings, particularly about their dependence on time. Using moving window computations we explored the fluctuations of cavity couplings along time, finding that these couplings could fluctuate substantially during the trajectory, reaching in several cases correlations above 0.25/0.5. In summary, we describe the structural origin and the variations with time of cavity couplings. We complete our work with a brief discussion of the biological implications of these results.

Molecular Dynamics Study of Naturally Existing Cavity Couplings in Proteins

PubMed Central

Barbany, Montserrat; Meyer, Tim; Hospital, Adam; Faustino, Ignacio; D'Abramo, Marco; Morata, Jordi; Orozco, Modesto; de la Cruz, Xavier

2015-01-01

Couplings between protein sub-structures are a common property of protein dynamics. Some of these couplings are especially interesting since they relate to function and its regulation. In this article we have studied the case of cavity couplings because cavities can host functional sites, allosteric sites, and are the locus of interactions with the cell milieu. We have divided this problem into two parts. In the first part, we have explored the presence of cavity couplings in the natural dynamics of 75 proteins, using 20 ns molecular dynamics simulations. For each of these proteins, we have obtained two trajectories around their native state. After applying a stringent filtering procedure, we found significant cavity correlations in 60% of the proteins. We analyze and discuss the structure origins of these correlations, including neighbourhood, cavity distance, etc. In the second part of our study, we have used longer simulations (≥100ns) from the MoDEL project, to obtain a broader view of cavity couplings, particularly about their dependence on time. Using moving window computations we explored the fluctuations of cavity couplings along time, finding that these couplings could fluctuate substantially during the trajectory, reaching in several cases correlations above 0.25/0.5. In summary, we describe the structural origin and the variations with time of cavity couplings. We complete our work with a brief discussion of the biological implications of these results. PMID:25816327

Optimal aeroassisted coplanar orbital transfer using an energy model

NASA Technical Reports Server (NTRS)

Halyo, Nesim; Taylor, Deborah B.

1989-01-01

The atmospheric portion of the trajectories for the aeroassisted coplanar orbit transfer was investigated. The equations of motion for the problem are expressed using reduced order model and total vehicle energy, kinetic plus potential, as the independent variable rather than time. The order reduction is achieved analytically without an approximation of the vehicle dynamics. In this model, the problem of coplanar orbit transfer is seen as one in which a given amount of energy must be transferred from the vehicle to the atmosphere during the trajectory without overheating the vehicle. An optimal control problem is posed where a linear combination of the integrated square of the heating rate and the vehicle drag is the cost function to be minimized. The necessary conditions for optimality are obtained. These result in a 4th order two-point-boundary-value problem. A parametric study of the optimal guidance trajectory in which the proportion of the heating rate term versus the drag varies is made. Simulations of the guidance trajectories are presented.

Helicobacter pylori displays spiral trajectories while swimming like a cork-screw in solutions

NASA Astrophysics Data System (ADS)

Constantino, Maira A.; Hardcastle, Joseph M.; Bansil, Rama; Jabbarzadeh, Mehdi; Fu, Henry C.

Helicobacter pylori is a helical shaped bacterium that causes gastritis, ulcers and gastric cancer in humans and other animals. In order to colonize the harsh acidic environment of the stomach H. pylori has evolved a unique biochemical mechanism to go across the viscoelastic gel-like gastric mucus layer. Many studies have been conducted on the swimming of H. pylori in viscous media. However a yet unanswered question is if the helical cell shape influences bacterial swimming dynamics or confers any advantage when swimming in viscous solution. We will present measurements of H. pylori trajectories displaying corkscrew motion while swimming in solution obtained by tracking single cells using 2-dimensional phase contrast imaging at high magnification and fast frame rates and simultaneously imaging their shape. We observe a linear relationship between swimming speed and rotation rate. The experimental trajectories show good agreement with trajectories calculated using a regularized Stokeslet method to model the low Reynolds number swimming behavior. Supported by NSF PHY 1410798 (PI: RB).

Formation of an internal model of environment dynamics during upper limb reaching movements: a fuzzy approach.

PubMed

MacDonald, Chad; Moussavi, Zahra; Sarkodie-Gyan, Thompson

2007-01-01

This paper presents the development and simulation of a fuzzy logic based learning mechanism to emulate human motor learning. In particular, fuzzy inference was used to develop an internal model of a novel dynamic environment experienced during planar reaching movements with the upper limb. A dynamic model of the human arm was developed and a fuzzy if-then rule base was created to relate trajectory movement and velocity errors to internal model update parameters. An experimental simulation was performed to compare the fuzzy system's performance with that of human subjects. It was found that the dynamic model behaved as expected, and the fuzzy learning mechanism created an internal model that was capable of opposing the environmental force field to regain a trajectory closely resembling the desired ideal.

Dynamic Regimes of El Niño Southern Oscillation and Influenza Pandemic Timing

PubMed Central

Oluwole, Olusegun Steven Ayodele

2017-01-01

El Niño southern oscillation (ENSO) dynamics has been shown to drive seasonal influenza dynamics. Severe seasonal influenza epidemics and the 2009–2010 pandemic were coincident with chaotic regime of ENSO dynamics. ENSO dynamics from 1876 to 2016 were characterized to determine if influenza pandemics are coupled to chaotic regimes. Time-varying spectra of southern oscillation index (SOI) and sea surface temperature (SST) were compared. SOI and SST were decomposed to components using the algorithm of noise-assisted multivariate empirical mode decomposition. The components were Hilbert transformed to generate instantaneous amplitudes and phases. The trajectories and attractors of components were characterized in polar coordinates and state space. Influenza pandemics were mapped to dynamic regimes of SOI and SST joint recurrence of annual components. State space geometry of El Niños lagged by influenza pandemics were characterized and compared with other El Niños. Timescales of SOI and SST components ranged from sub-annual to multidecadal. The trajectories of SOI and SST components and the joint recurrence of annual components were dissipative toward chaotic attractors. Periodic, quasi-periodic, and chaotic regimes were present in the recurrence of trajectories, but chaos–chaos transitions dominated. Influenza pandemics occurred during chaotic regimes of significantly low transitivity dimension (p < 0.0001). El Niños lagged by influenza pandemics had distinct state space geometry (p < 0.0001). Chaotic dynamics explains the aperiodic timing, and varying duration and strength of El Niños. Coupling of all influenza pandemics of the past 140 years to chaotic regimes of low transitivity indicate that ENSO dynamics drives influenza pandemic dynamics. Forecasts models from ENSO dynamics should compliment surveillance for novel influenza viruses. PMID:29218303

Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.

PubMed

Curchod, Basile F E; Rothlisberger, Ursula; Tavernelli, Ivano

2013-05-10

Understanding the fate of an electronically excited molecule constitutes an important task for theoretical chemistry, and practical implications range from the interpretation of atto- and femtosecond spectroscopy to the development of light-driven molecular machines, the control of photochemical reactions, and the possibility of capturing sunlight energy. However, many challenging conceptual and technical problems are involved in the description of these phenomena such as 1) the failure of the well-known Born-Oppenheimer approximation; 2) the need for accurate electronic properties such as potential energy surfaces, excited nuclear forces, or nonadiabatic coupling terms; and 3) the necessity of describing the dynamics of the photoexcited nuclear wavepacket. This review provides an overview of the current methods to address points 1) and 3) and shows how time-dependent density functional theory (TDDFT) and its linear-response extension can be used for point 2). First, the derivation of Ehrenfest dynamics and nonadiabatic Bohmian dynamics is discussed and linked to Tully's trajectory surface hopping. Second, the coupling of these trajectory-based nonadiabatic schemes with TDDFT is described in detail with special emphasis on the derivation of the required electronic structure properties. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spatial orientation perception and reflexive eye movements--a perspective, an overview, and some clinical implications

NASA Technical Reports Server (NTRS)

Guedry, F. E.; Paloski, W. F. (Principal Investigator)

1996-01-01

When head motion includes a linear velocity component, eye velocity required to track an earth-fixed target depends upon: a) angular and linear head velocity, b) target distance, and c) direction of gaze relative to the motion trajectory. Recent research indicates that eye movements (LVOR), presumably otolith-mediated, partially compensate for linear velocity in small head excursions on small devices. Canal-mediated eye velocity (AVOR), otolith-mediated eye velocity (LVOR), and Ocular Torsion (OT) can be measured, one by one, on small devices. However, response dynamics that depend upon the ratio of linear to angular velocity in the motion trajectory and on subject orientation relative to the trajectory are present in a centrifuge paradigm. With this paradigm, two 3-min runs yields measures of: LVOR differentially modulated by different subject orientations in the two runs; OT dynamics in four conditions; two directions of "steady-state" OT, and two directions of AVOR. Efficient assessment of the dynamics (and of the underlying central integrative processes) may require a centrifuge radius of 1.0 meters or more. Clinical assessment of the spatial orientation system should include evaluation of central integrative processes that determine the dynamics of these responses.

Optimal bounds and extremal trajectories for time averages in nonlinear dynamical systems

NASA Astrophysics Data System (ADS)

Tobasco, Ian; Goluskin, David; Doering, Charles R.

2018-02-01

For any quantity of interest in a system governed by ordinary differential equations, it is natural to seek the largest (or smallest) long-time average among solution trajectories, as well as the extremal trajectories themselves. Upper bounds on time averages can be proved a priori using auxiliary functions, the optimal choice of which is a convex optimization problem. We prove that the problems of finding maximal trajectories and minimal auxiliary functions are strongly dual. Thus, auxiliary functions provide arbitrarily sharp upper bounds on time averages. Moreover, any nearly minimal auxiliary function provides phase space volumes in which all nearly maximal trajectories are guaranteed to lie. For polynomial equations, auxiliary functions can be constructed by semidefinite programming, which we illustrate using the Lorenz system.

Probabilistic Modeling of Aircraft Trajectories for Dynamic Separation Volumes

NASA Technical Reports Server (NTRS)

Lewis, Timothy A.

2016-01-01

With a proliferation of new and unconventional vehicles and operations expected in the future, the ab initio airspace design will require new approaches to trajectory prediction for separation assurance and other air traffic management functions. This paper presents an approach to probabilistic modeling of the trajectory of an aircraft when its intent is unknown. The approach uses a set of feature functions to constrain a maximum entropy probability distribution based on a set of observed aircraft trajectories. This model can be used to sample new aircraft trajectories to form an ensemble reflecting the variability in an aircraft's intent. The model learning process ensures that the variability in this ensemble reflects the behavior observed in the original data set. Computational examples are presented.

Integrated Vehicle and Trajectory Design of Small Spacecraft with Electric Propulsion for Earth and Interplanetary Missions

NASA Technical Reports Server (NTRS)

Spangelo, Sara; Dalle, Derek; Longmier, Benjamin

2015-01-01

This paper investigates the feasibility of Earth-transfer and interplanetary mission architectures for miniaturized spacecraft using emerging small solar electric propulsion technologies. Emerging small SEP thrusters offer significant advantages relative to existing technologies and will enable U-class systems to perform trajectory maneuvers with significant Delta V requirements. The approach in this paper is unique because it integrates trajectory design with vehicle sizing and accounts for the system and operational constraints of small U-class missions. The modeling framework includes integrated propulsion, orbit, energy, and external environment dynamics and systems-level power, energy, mass, and volume constraints. The trajectory simulation environment models orbit boosts in Earth orbit and flyby and capture trajectories to interplanetary destinations. A family of small spacecraft mission architectures are studied, including altitude and inclination transfers in Earth orbit and trajectories that escape Earth orbit and travel to interplanetary destinations such as Mercury, Venus, and Mars. Results are presented visually to show the trade-offs between competing performance objectives such as maximizing available mass and volume for payloads and minimizing transfer time. The results demonstrate the feasibility of using small spacecraft to perform significant Earth and interplanetary orbit transfers in less than one year with reasonable U-class mass, power, volume, and mission durations.

Trajectories of Mothers' Emotional Availability: Relations with Infant Temperament in Predicting Attachment Security

PubMed Central

Kim, Bo-Ram; Chow, Sy-Miin; Bray, Bethany; Teti, Douglas M.

2017-01-01

The present study examined observations of parenting quality (mothers' emotional availability - EA) during infant bedtimes at 4 points across the infants' first year, assessing relations between levels and trajectories of emotional availability and infant attachment at 12 months and the role of infant temperament in moderating these associations. The sample (N = 128) was predominantly Euro-American (82.5%) and at low socioeconomic risk. Latent growth curve modeling with latent basis coefficients indicated substantial individual differences in initial levels and slopes in EA trajectories across the first year. Both levels of maternal EA and EA trajectories across the first year predicted 12-month infant attachment security. Although maternal EA tended to decrease across the first year in the full sample, EA trajectories that showed a “bounce-back” between 6 and 12 months, suggesting more successful maternal adaptation to an expanding infant developmental repertoire, predicted greater infant security at 12 months. In addition, linkages between latent EA trajectories and 12-month attachment were moderated by 3-month infant temperamental reactivity and regulation. These findings indicate that infant attachment security is sensitive to both static and dynamic aspects of parenting quality across the first year, and that infant temperament can interact with both in predicting infant attachment. PMID:27852132

Trajectories of mothers' emotional availability: relations with infant temperament in predicting attachment security.

PubMed

Kim, Bo-Ram; Chow, Sy-Miin; Bray, Bethany; Teti, Douglas M

2017-02-01

The present study examined observations of parenting quality (mothers' emotional availability - EA) during infant bedtimes at 4 points across the infants' first year, assessing relations between levels and trajectories of EA and infant attachment at 12 months and the role of infant temperament in moderating these associations. The sample (N = 128) was predominantly Euro-American (82.5%) and at low socioeconomic risk. Latent growth curve modeling with latent basis coefficients indicated substantial individual differences in initial levels and slopes in EA trajectories across the first year. Both levels of maternal EA and EA trajectories across the first year predicted 12-month infant attachment security. Although maternal EA tended to decrease across the first year in the full sample, EA trajectories that showed a "bounce-back" between 6 and 12 months, suggesting more successful maternal adaptation to an expanding infant developmental repertoire, predicted greater infant security at 12 months. In addition, linkages between latent EA trajectories and 12-month attachment were moderated by 3-month infant temperamental reactivity and regulation. These findings indicate that infant attachment security is sensitive to both static and dynamic aspects of parenting quality across the first year, and that infant temperament can interact with both in predicting infant attachment.

The simultaneous integration of many trajectories using nilpotent normal forms

NASA Technical Reports Server (NTRS)

Grayson, Matthew A.; Grossman, Robert

1990-01-01

Taylor's formula shows how to approximate a certain class of functions by polynomials. The approximations are arbitrarily good in some neighborhood whenever the function is analytic and they are easy to compute. The main goal is to give an efficient algorithm to approximate a neighborhood of the configuration space of a dynamical system by a nilpotent, explicitly integrable dynamical system. The major areas covered include: an approximating map; the generalized Baker-Campbell-Hausdorff formula; the Picard-Taylor method; the main theorem; simultaneous integration of trajectories; and examples.

The dynamics and control of solar-sail spacecraft in displaced lunar orbits

NASA Astrophysics Data System (ADS)

Wawrzyniak, Geoffrey George

Trajectory generation for any spacecraft mission application typically involves either well-developed analytical approximations or a linearization with respect to a known solution. Such approximations are based on the well-understood dynamics of behavior in the system. However, when two or more large bodies (e.g., the Earth and the Moon or the Sun, the Earth and the Moon) are present, trajectories in the multi-body gravitational field can evolve chaotically. The problem is further complicated when an additional force from a solar sail is included. Solar sail trajectories are often developed in a Sun-centered reference frame in which the sunlight direction is fixed. New challenges arise when modeling a solar-sail trajectory in a reference frame attached to the Earth and the Moon (a frame that rotates in inertial space). Advantages accrue from geometry and symmetry properties that are available in this Earth--Moon reference frame, but the Sun location and the sunlight direction change with time. Current trajectory design tools can reveal many solutions within these regimes. Recent work using numerical boundary value problem (BVP) solvers has demonstrated great promise for uncovering additional and, sometimes, "better" solutions to problems in spacecraft trajectory design involving solar sails. One such approach to solving BVPs is the finite-difference method. Derivatives that appear in the differential equations are replaced with their respective finite differences and evaluated at node points along the trajectory. The solution process is iterative. A candidate solution, such as an offset circle or a point, is discretized into nodes, and the equations that represent the relationships at the nodes are solved simultaneously. Finite-difference methods (FDMs) exploit coarse initial approximations and, with the system constraints (such as the continuous visibility of the spacecraft from a point on the lunar surface), to develop orbital solutions in regions where the structure of the solution space is not well known. Because of their simplicity and speed, the FDM is used to populate a survey to assist in the understanding of the available design space. Trajectories generated by FDMs can also be used to initialize other nonlinear BVP solvers. Any solution is only as accurate as the model used to generate it, especially when the trajectory is dynamically unstable, certainly the case when an orbit is purposefully offset from the Moon. Perturbations, such as unmodeled gravitational forces, variations in the solar flux, as well as mis-modeling of the sail and bus properties, all shift the spacecraft off the reference trajectory and, potentially, into a regime from which the vehicle is unrecoverable. Therefore, some type of flight-path control is required to maintain the vehicle near the reference path. Reference trajectories, supplied by FDMs, are used to develop guidance algorithms based on other, more accurate, numerical procedures, such as multiple shooting. The primary motivation of this investigation is to determine what level of technology is required to displace a solar sail spacecraft sufficiently such that a vehicle equipped with a sail supplies a continuous relay between the Earth and an outpost at the lunar south pole. To accomplish this objective, numerical methods to generate reference orbits that meet mission constraints are examined, as well as flight-path control strategies to ensure that a sailcraft follows those reference trajectories. A survey of the design space is also performed to highlight vehicle-performance and ground-based metrics critical to a mission that monitors the lunar south pole at all times. Finally, observations about the underlying dynamical structure of solar sail motion in a multi-body system are summarized.

Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function.

PubMed

Ohto, Tatsuhiko; Usui, Kota; Hasegawa, Taisuke; Bonn, Mischa; Nagata, Yuki

2015-09-28

Interfacial water structures have been studied intensively by probing the O-H stretch mode of water molecules using sum-frequency generation (SFG) spectroscopy. This surface-specific technique is finding increasingly widespread use, and accordingly, computational approaches to calculate SFG spectra using molecular dynamics (MD) trajectories of interfacial water molecules have been developed and employed to correlate specific spectral signatures with distinct interfacial water structures. Such simulations typically require relatively long (several nanoseconds) MD trajectories to allow reliable calculation of the SFG response functions through the dipole moment-polarizability time correlation function. These long trajectories limit the use of computationally expensive MD techniques such as ab initio MD and centroid MD simulations. Here, we present an efficient algorithm determining the SFG response from the surface-specific velocity-velocity correlation function (ssVVCF). This ssVVCF formalism allows us to calculate SFG spectra using a MD trajectory of only ∼100 ps, resulting in the substantial reduction of the computational costs, by almost an order of magnitude. We demonstrate that the O-H stretch SFG spectra at the water-air interface calculated by using the ssVVCF formalism well reproduce those calculated by using the dipole moment-polarizability time correlation function. Furthermore, we applied this ssVVCF technique for computing the SFG spectra from the ab initio MD trajectories with various density functionals. We report that the SFG responses computed from both ab initio MD simulations and MD simulations with an ab initio based force field model do not show a positive feature in its imaginary component at 3100 cm(-1).

Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

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

Belyaev, Andrey K., E-mail: belyaev@herzen.spb.ru; Domcke, Wolfgang, E-mail: wolfgang.domcke@ch.tum.de; Lasser, Caroline, E-mail: classer@ma.tum.de

The Landau–Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground-state neutral molecule to the excited states of the cation. The algorithm employs a recently proposed formula for nonadiabatic LZ transition probabilities derived from the adiabatic potential energy surfaces. The evolution of the populations of the ground state and the two lowest excited adiabatic states is calculated up to 200 fs. The results agree well with quantum simulations available for the first 100 fs based on the same potential energy surfaces. Three different time scales are detected formore » the nuclear dynamics: Ultrafast Jahn–Teller dynamics between the excited states on a 5 fs time scale; fast transitions between the excited state and the ground state within a time scale of 20 fs; and relatively slow partial conversion of a first-excited-state population to the ground state within a time scale of 100 fs. Beyond 100 fs, the adiabatic electronic populations are nearly constant due to a dynamic equilibrium between the three states. The ultrafast nonradiative decay of the excited-state populations provides a qualitative explanation of the experimental evidence that the ammonia cation is nonfluorescent.« less

GNSS Signal Tracking Performance Improvement for Highly Dynamic Receivers by Gyroscopic Mounting Crystal Oscillator.

PubMed

Abedi, Maryam; Jin, Tian; Sun, Kewen

2015-08-31

In this paper, the efficiency of the gyroscopic mounting method is studied for a highly dynamic GNSS receiver's reference oscillator for reducing signal loss. Analyses are performed separately in two phases, atmospheric and upper atmospheric flights. Results show that the proposed mounting reduces signal loss, especially in parts of the trajectory where its probability is the highest. This reduction effect appears especially for crystal oscillators with a low elevation angle g-sensitivity vector. The gyroscopic mounting influences frequency deviation or jitter caused by dynamic loads on replica carrier and affects the frequency locked loop (FLL) as the dominant tracking loop in highly dynamic GNSS receivers. In terms of steady-state load, the proposed mounting mostly reduces the frequency deviation below the one-sigma threshold of FLL (1σ(FLL)). The mounting method can also reduce the frequency jitter caused by sinusoidal vibrations and reduces the probability of signal loss in parts of the trajectory where the other error sources accompany this vibration load. In the case of random vibration, which is the main disturbance source of FLL, gyroscopic mounting is even able to suppress the disturbances greater than the three-sigma threshold of FLL (3σ(FLL)). In this way, signal tracking performance can be improved by the gyroscopic mounting method for highly dynamic GNSS receivers.

Ab initio implementation of quantum trajectory mean-field approach and dynamical simulation of the N{sub 2}CO photodissociation

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

Xie, Binbin; Liu, Lihong; Cui, Ganglong

2015-11-21

In this work, the recently introduced quantum trajectory mean-field (QTMF) approach is implemented and employed to explore photodissociation dynamics of diazirinone (N{sub 2}CO), which are based on the high-level ab initio calculation. For comparison, the photodissociation process has been simulated as well with the fewest-switches surface hopping (FSSH) and the ab initio multiple spawning (AIMS) methods. Overall, the dynamical behavior predicted by the three methods is consistent. The N{sub 2}CO photodissociation at λ > 335 nm is an ultrafast process and the two C—N bonds are broken in a stepwise way, giving birth to CO and N{sub 2} as themore » final products in the ground state. Meanwhile, some noticeable differences were found in the QTMF, FSSH, and AIMS simulated time constants for fission of the C—N bonds, excited-state lifetime, and nonadiabatic transition ratios in different intersection regions. These have been discussed in detail. The present study provides a clear evidence that direct ab initio QTMF approach is one of the reliable tools for simulating nonadiabatic dynamics processes.« less

A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer

NASA Astrophysics Data System (ADS)

Pierre, Sadrach; Duke, Jessica R.; Hele, Timothy J. H.; Ananth, Nandini

2017-12-01

We investigate the mechanisms of condensed phase proton-coupled electron transfer (PCET) using Mapping-Variable Ring Polymer Molecular Dynamics (MV-RPMD), a recently developed method that employs an ensemble of classical trajectories to simulate nonadiabatic excited state dynamics. Here, we construct a series of system-bath model Hamiltonians for the PCET, where four localized electron-proton states are coupled to a thermal bath via a single solvent mode, and we employ MV-RPMD to simulate state population dynamics. Specifically, for each model, we identify the dominant PCET mechanism, and by comparing against rate theory calculations, we verify that our simulations correctly distinguish between concerted PCET, where the electron and proton transfer together, and sequential PCET, where either the electron or the proton transfers first. This work represents a first application of MV-RPMD to multi-level condensed phase systems; we introduce a modified MV-RPMD expression that is derived using a symmetric rather than asymmetric Trotter discretization scheme and an initialization protocol that uses a recently derived population estimator to constrain trajectories to a dividing surface. We also demonstrate that, as expected, the PCET mechanisms predicted by our simulations are robust to an arbitrary choice of the initial dividing surface.

Ca + HF - The anatomy of a chemical insertion reaction

NASA Technical Reports Server (NTRS)

Jaffe, R. L.; Pattengill, M. D.; Mascarello, F. G.; Zare, R. N.

1987-01-01

A comprehensive first-principles theoretical investigation of the gas phase reaction Ca + HF - CaF + H is reported. Ab initio potential energy calculations are first discussed, along with characteristics of the computed potential energy surface. Next, the fitting of the computed potential energy points to a suitable analytical functional form is described, and maps of the fitted potential surface are displayed. The methodology and results of a classical trajectory calculation utilizing the fitted potential surface are presented. Finally, the significance of the trajectory study results is discussed, and generalizations concerning dynamical aspects of Ca + HF scattering are drawn.

Rocket Launch Trajectory Simulations Mechanism

NASA Technical Reports Server (NTRS)

Margasahayam, Ravi; Caimi, Raoul E.; Hauss, Sharon; Voska, N. (Technical Monitor)

2002-01-01

The design and development of a Trajectory Simulation Mechanism (TSM) for the Launch Systems Testbed (LST) is outlined. In addition to being one-of-a-kind facility in the world, TSM serves as a platform to study the interaction of rocket launch-induced environments and subsequent dynamic effects on the equipment and structures in the close vicinity of the launch pad. For the first time, researchers and academicians alike will be able to perform tests in a laboratory environment and assess the impact of vibroacoustic behavior of structures in a moving rocket scenario on ground equipment, launch vehicle, and its valuable payload or spacecraft.

Quasi-local action of curl-less vector potential on vortex dynamics in superconductors

NASA Astrophysics Data System (ADS)

Gulian, Armen M.; Nikoghosyan, Vahan R.; Gulian, Ellen D.; Melkonyan, Gurgen G.

2018-04-01

Studies of the Abrikosov vortex motion in superconductors based on time-dependent Ginzburg-Landau equations reveal an opportunity to detect the values of the Aharonov-Bohm type curl-less vector potentials without closed-loop electron trajectories encompassing the magnetic flux.

Ecological and Evolutionary Effects of Dispersal on Freshwater Zooplankton

ERIC Educational Resources Information Center

Allen, Michael R.

2009-01-01

A recent focus on contemporary evolution and the connections between communities has sought to more closely integrate ecology with evolutionary biology. Studies of coevolutionary dynamics, life history evolution, and rapid local adaptation demonstrate that ecological circumstances can dictate evolutionary trajectories. Thus, variation in species…

Perception of oral food breakdown. The concept of sensory trajectory.

PubMed

Lenfant, Francine; Loret, Chrystel; Pineau, Nicolas; Hartmann, Christoph; Martin, Nathalie

2009-06-01

Texture perceived in mouth largely depends on the behaviour of the food when it is broken down and transformed by the mouth elements. Texture results from a dynamic process in which texture attributes are continuously analysed by the oral sensory systems during mastication. However, the particular sequence of perceptual events that occur during oral food breakdown remains unknown. The aim of the present study is to describe the succession of perceptual events that happen in mouth during mastication and to show that for each food a texture pathway can be built. This for, we used a sensory method enabling to evaluate the dynamics of texture perceptions during food consumption: the Temporal Dominance of Sensation. On different breakfast cereals, we measured the sensation dominating at each point of the mastication process. We showed that the dynamics of appearance and disappearance of each texture sensation experienced in mouth during the eating process differed among cereals. However, some common features in this sensory trajectory were also observed for the category of products studied. Hardness, crackliness and crispness were rather perceived at the beginning of the mastication period, brittleness and lightness in the middle and stickiness at the end.

Response to "Comment on `Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5"' [J. Chem. Phys. 143, 177101 (2015)

NASA Astrophysics Data System (ADS)

Harabuchi, Yu; Ono, Yuriko; Maeda, Satoshi; Taketsugu, Tetsuya

2015-11-01

The existence of a valley-ridge transition (VRT) point along the intrinsic reaction coordinate does not always indicate the existence of two minima in the product side, but VRT is a sign of bifurcating nature of dynamical trajectories running on the potential energy surface. It is demonstrated by molecular dynamics simulations.

Sensitivity Analysis and Mitigation with Applications to Ballistic and Low-thrust Trajectory Design

NASA Astrophysics Data System (ADS)

Alizadeh, Iman

The ever increasing desire to expand space mission capabilities within the limited budgets of space industries requires new approaches to the old problem of spacecraft trajectory design. For example, recent initiatives for space exploration involve developing new tools to design low-cost, fail-safe trajectories to visit several potential destinations beyond our celestial neighborhood such as Jupiter's moons, asteroids, etc. Designing and navigating spacecraft trajectories to reach these destinations safely are complex and challenging. In particular, fundamental questions of orbital stability imposed by planetary protection requirements are not easily taken into account by standard optimal control schemes. The event of temporary engine loss or an unexpected missed thrust can indeed quickly lead to impact with planetary bodies or other unrecoverable trajectories. While electric propulsion technology provides superior efficiency compared to chemical engines, the very low-control authority and engine performance degradation can impose higher risk to the mission in strongly perturbed orbital environments. The risk is due to the complex gravitational field and its associated chaotic dynamics which causes large navigation dispersions in a short time if left un-controlled. Moreover, in these situations it can be outside the low-thrust propulsion system capability to correct the spacecraft trajectory in a reasonable time frame. These concerns can lead to complete or partial mission failure or even an infeasible mission concept at the early design stage. The goal of this research is to assess and increase orbital stability of ballistic and low-thrust transfer trajectories in multi-body systems. In particular, novel techniques are presented to characterize sensitivity and improve recovery characteristics of ballistic and low-thrust trajectories in unstable orbital environments. The techniques developed are based on perturbation analysis around ballistic trajectories to determine analytically the maximum divergence directions and also optimal control theory with nonstandard cost functions along with inverse dynamics applied to low-thrust trajectories. Several mission scenarios are shown to demonstrate the applicability of the techniques in the Earth-Moon and the Jupiter-Europa system. In addition, the results provide fundamental insight into design, stability analysis and guidance, navigation and control of low-thrust trajectories to meet challenging mission requirements in support of NASA's vision for space exploration.

Optimal Trajectories Generation in Robotic Fiber Placement Systems

NASA Astrophysics Data System (ADS)

Gao, Jiuchun; Pashkevich, Anatol; Caro, Stéphane

2017-06-01

The paper proposes a methodology for optimal trajectories generation in robotic fiber placement systems. A strategy to tune the parameters of the optimization algorithm at hand is also introduced. The presented technique transforms the original continuous problem into a discrete one where the time-optimal motions are generated by using dynamic programming. The developed strategy for the optimization algorithm tuning allows essentially reducing the computing time and obtaining trajectories satisfying industrial constraints. Feasibilities and advantages of the proposed methodology are confirmed by an application example.

Blessing and curse of chaos in numerical turbulence simulations

NASA Astrophysics Data System (ADS)

Lee, Jon

1994-03-01

Because of the trajectory instability, time reversal is not possible beyond a certain evolution time and hence the time irreversibility prevails under the finite-accuracy trajectory computation. This therefore provides a practical reconciliation of the dynamic reversibility and macroscopic irreversibility (blessing of chaos). On the other hand, the trajectory instability is also responsible for a limited evolution time, so that finite-accuracy computation would yield a pseudo-orbit which is totally unrelated to the true trajectory (curse of chaos). For the inviscid 2D flow, however, we can accurately compute the long- time average of flow quantities with a pseudo-orbit by invoking the ergodic theorem.

The analysis of control trajectories using symbolic and database computing

NASA Technical Reports Server (NTRS)

Grossman, Robert

1995-01-01

This final report comprises the formal semi-annual status reports for this grant for the periods June 30-December 31, 1993, January 1-June 30, 1994, and June 1-December 31, 1994. The research supported by this grant is broadly concerned with the symbolic computation, mixed numeric-symbolic computation, and database computation of trajectories of dynamical systems, especially control systems. A review of work during the report period covers: trajectories and approximating series, the Cayley algebra of trees, actions of differential operators, geometrically stable integration algorithms, hybrid systems, trajectory stores, PTool, and other activities. A list of publications written during the report period is attached.

The effects of solvent on the conformation and the collective motions of protein: Normal mode analysis and molecular dynamics simulations of melittin in water and in vacuum

NASA Astrophysics Data System (ADS)

Kitao, Akio; Hirata, Fumio; Gō, Nobuhiro

1991-12-01

The effects of solvent on the conformation and dynamics of protein is studied by computer simulation. The dynamics is studied by focusing mainly on collective motions of the protein molecule. Three types of simulation, normal mode analysis, molecular dynamics in vacuum, and molecular dynamics in water are applied to melittin, the major component of bee venom. To define collective motions principal, component analysis as well as normal mode analysis has been carried out. The principal components with large fluctuation amplitudes have a very good correspondence with the low-frequency normal modes. Trajectories of the molecular dynamics simulation are projected onto the principal axes. From the projected motions time correlation functions are calculated. The results indicate that the very-low-frequency modes, whose frequencies are less than ≈ 50 cm -1, are overdamping in water with relaxation times roushly twice as long as the period of the oscillatory motion. Effective Langevin mode analysis is carried out by using the friction coefficient matrix determined from the velocity correlation function calculated from the molecular dynamics trajectory in water. This analysis reproduces the results of the simulation in water reasonably well. The presence of the solvent water is found also to affect the shape of the potential energy surface in such a way that it produces many local minima with low-energy barriers in between, the envelope of which is given by the surface in vacuum. Inter-minimum transitions endow the conformational dynamics of proteins in water another diffusive character, which already exists in the intra-minimum collective motions.

Stochastic Representation of Chaos Using Terminal Attractors

NASA Technical Reports Server (NTRS)

Zak, Michail

2006-01-01

A nonlinear version of the Liouville equation based on terminal attractors is part of a mathematical formalism for describing postinstability motions of dynamical systems characterized by exponential divergences of trajectories leading to chaos (including turbulence as a form of chaos). The formalism can be applied to both conservative systems (e.g., multibody systems in celestial mechanics) and dissipative systems (e.g., viscous fluids). The development of the present formalism was undertaken in an effort to remove positive Lyapunov exponents. The means chosen to accomplish this is coupling of the governing dynamical equations with the corresponding Liouville equation that describes the evolution of the flow of error probability. The underlying idea is to suppress the divergences of different trajectories that correspond to different initial conditions, without affecting a target trajectory, which is one that starts with prescribed initial conditions.

Recollision induced excitation-ionization with counter-rotating two-color circularly polarized laser field

NASA Astrophysics Data System (ADS)

Ben, Shuai; Guo, Pei-Ying; Pan, Xue-Fei; Xu, Tong-Tong; Song, Kai-Li; Liu, Xue-Shen

2017-07-01

Nonsequential double ionization of Ar by a counter-rotating two-color circularly polarized laser field is theoretically investigated. At the combined intensity in the "knee" structure range, the double ionization occurs mainly through recollision induced excitation followed by subsequent ionization of Ar+∗ . By tracing the history of the recollision trajectories, we explain how the relative intensity ratio of the two colors controls the correlated electron dynamics and optimizes the ionization yields. The major channels contributing to enhancing the double ionization are through the elliptical trajectories with smaller travel time but not through the triangle shape or the other long cycle trajectories. Furthermore, the correlated electron dynamics could be limited to the attosecond time scale by adjusting the relative intensity ratio. Finally, the double ionization from doubly excited complex at low laser intensity is qualitatively discussed.

An approach to simultaneous control of trajectory and interaction forces in dual-arm configurations

NASA Technical Reports Server (NTRS)

Yun, Xiaoping; Kumar, Vijay R.

1991-01-01

An approach to the control of constrained dynamic systems such as multiple arm systems, multifingered grippers, and walking vehicles is described. The basic philosophy is to utilize a minimal set of inputs to control the trajectory and the surplus input to control the constraint or interaction forces and moments in the closed chain. A dynamic control model for the closed chain is derived that is suitable for designing a controller in which the trajectory and the interaction forces and moments are explicitly controlled. Nonlinear feedback techniques derived from differential geometry are then applied to linearize and decouple the nonlinear model. These ideas are illustrated through a planar example in which two arms are used for cooperative manipulation. Results from a simulation are used to illustrate the efficacy of the method.

Chronic exposure of grandparents to poverty and body mass index trajectories of grandchildren: a prospective intergenerational study.

PubMed

Li, Miao

2015-02-01

In this study, I used the growth curve model to examine the association between grandparents' (first generation (G1)) life-course exposure to chronic poverty and grandchildren's (third generation (G3)) body mass index (BMI; weight (kg)/height (m)(2)) growth trajectories. This association was estimated separately for male and female grandchildren. Analyses were based on prospective data from a US longitudinal survey, the Panel Study of Income Dynamics (1968-2011), and 2 of its supplemental studies: the Child Development Supplement (1997-2011) and the Transition into Adulthood Study (1997-2011). A prospectively enrolled nationally representative cohort of 2,613 G3 youth (1,323 male, 1,290 female) sampled in the 2 supplemental studies was linked to 1,719 grandparents from the Panel Study of Income Dynamics core sample. Chronic exposure to poverty among grandparents was prospectively ascertained annually over a 30-year period prior to the collection of data on grandchildren. Findings suggested that grandparents' chronic poverty exposure was positively associated with the slope of the BMI trajectory among granddaughters (β = 0.10, 95% confidence interval: 0.03, 0.17) but not among grandsons (β = 0.02, 95% confidence interval: -0.04, 0.08). The association between grandparents' chronic poverty exposure and granddaughters' BMI growth slope remained even after controlling for parental (second generation (G2)) socioeconomic status and BMI. © The Author 2015. Published by Oxford University Press on behalf of the Johns Hopkins Bloomberg School of Public Health. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Regge trajectories and Hagedorn behavior: Hadronic realizations of dynamical dark matter

NASA Astrophysics Data System (ADS)

Dienes, Keith R.; Huang, Fei; Su, Shufang; Thomas, Brooks

2017-11-01

Dynamical Dark Matter (DDM) is an alternative framework for dark-matter physics in which the dark sector comprises a vast ensemble of particle species whose Standard-Model decay widths are balanced against their cosmological abundances. In this talk, we study the properties of a hitherto-unexplored class of DDM ensembles in which the ensemble constituents are the "hadronic" resonances associated with the confining phase of a strongly-coupled dark sector. Such ensembles exhibit masses lying along Regge trajectories and Hagedorn-like densities of states that grow exponentially with mass. We investigate the applicable constraints on such dark-"hadronic" DDM ensembles and find that these constraints permit a broad range of mass and confinement scales for these ensembles. We also find that the distribution of the total present-day abundance across the ensemble is highly correlated with the values of these scales. This talk reports on research originally presented in Ref. [1].

Bernoulli substitution in the Ramsey model: Optimal trajectories under control constraints

NASA Astrophysics Data System (ADS)

Krasovskii, A. A.; Lebedev, P. D.; Tarasyev, A. M.

2017-05-01

We consider a neoclassical (economic) growth model. A nonlinear Ramsey equation, modeling capital dynamics, in the case of Cobb-Douglas production function is reduced to the linear differential equation via a Bernoulli substitution. This considerably facilitates the search for a solution to the optimal growth problem with logarithmic preferences. The study deals with solving the corresponding infinite horizon optimal control problem. We consider a vector field of the Hamiltonian system in the Pontryagin maximum principle, taking into account control constraints. We prove the existence of two alternative steady states, depending on the constraints. A proposed algorithm for constructing growth trajectories combines methods of open-loop control and closed-loop regulatory control. For some levels of constraints and initial conditions, a closed-form solution is obtained. We also demonstrate the impact of technological change on the economic equilibrium dynamics. Results are supported by computer calculations.

The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules.

PubMed

Luginbühl, P; Güntert, P; Billeter, M; Wüthrich, K

1996-09-01

A new program for molecular dynamics (MD) simulation and energy refinement of biological macromolecules, OPAL, is introduced. Combined with the supporting program TRAJEC for the analysis of MD trajectories, OPAL affords high efficiency and flexibility for work with different force fields, and offers a user-friendly interface and extensive trajectory analysis capabilities. Salient features are computational speeds of up to 1.5 GFlops on vector supercomputers such as the NEC SX-3, ellipsoidal boundaries to reduce the system size for studies in explicit solvents, and natural treatment of the hydrostatic pressure. Practical applications of OPAL are illustrated with MD simulations of pure water, energy minimization of the NMR structure of the mixed disulfide of a mutant E. coli glutaredoxin with glutathione in different solvent models, and MD simulations of a small protein, pheromone Er-2, using either instantaneous or time-averaged NMR restraints, or no restraints.

TH-EF-BRB-02: Feasibility of Optimization for Dynamic Trajectory Radiotherapy

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

Fix, MK; Frei, D; Volken, W

2016-06-15

Purpose: Over the last years, volumetric modulated arc therapy (VMAT) has been widely introduced into clinical routine using a coplanar delivery technique. However, VMAT might be improved by including dynamic couch and collimator rotations, leading to dynamic trajectory radiotherapy (DTRT). In this work the feasibility and the potential benefit of DTRT was investigated. Methods: A general framework for the optimization was developed using the Eclipse Scripting Research Application Programming Interface (ESRAPI). Based on contoured target and organs at risk (OARs), the structures are extracted using the ESRAPI. Sampling potential beam directions, regularly distributed on a sphere using a Fibanocci-lattice, themore » fractional volume-overlap of each OAR and the target is determined and used to establish dynamic gantry-couch movements. Then, for each gantry-couch track the most suitable collimator angle is determined for each control point by optimizing the area between the MLC leaves and the target contour. The resulting dynamic trajectories are used as input to perform the optimization using a research version of the VMAT optimization algorithm and the ESRAPI. The feasibility of this procedure was tested for a clinically motivated head and neck case. Resulting dose distributions for the VMAT plan and for the dynamic trajectory treatment plan were compared based on DVH-parameters. Results: While the DVH for the target is virtually preserved, improvements in maximum dose for the DTRT plan were achieved for all OARs except for the inner-ear, where maximum dose remains the same. The major improvements in maximum dose were 6.5% of the prescribed dose (66 Gy) for the parotid and 5.5% for the myelon and the eye. Conclusion: The result of this work suggests that DTRT has a great potential to reduce dose to OARs with similar target coverage when compared to conventional VMAT treatment plans. This work was supported by Varian Medical Systems. This work was supported by Varian Medical Systems.« less

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

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

Ho, Phay J.; Knight, Chris

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

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

DOE PAGES

Ho, Phay J.; Knight, Chris

2017-04-28

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

Automated 3D trajectory measuring of large numbers of moving particles.

PubMed

Wu, Hai Shan; Zhao, Qi; Zou, Danping; Chen, Yan Qiu

2011-04-11

Complex dynamics of natural particle systems, such as insect swarms, bird flocks, fish schools, has attracted great attention of scientists for years. Measuring 3D trajectory of each individual in a group is vital for quantitative study of their dynamic properties, yet such empirical data is rare mainly due to the challenges of maintaining the identities of large numbers of individuals with similar visual features and frequent occlusions. We here present an automatic and efficient algorithm to track 3D motion trajectories of large numbers of moving particles using two video cameras. Our method solves this problem by formulating it as three linear assignment problems (LAP). For each video sequence, the first LAP obtains 2D tracks of moving targets and is able to maintain target identities in the presence of occlusions; the second one matches the visually similar targets across two views via a novel technique named maximum epipolar co-motion length (MECL), which is not only able to effectively reduce matching ambiguity but also further diminish the influence of frequent occlusions; the last one links 3D track segments into complete trajectories via computing a globally optimal assignment based on temporal and kinematic cues. Experiment results on simulated particle swarms with various particle densities validated the accuracy and robustness of the proposed method. As real-world case, our method successfully acquired 3D flight paths of fruit fly (Drosophila melanogaster) group comprising hundreds of freely flying individuals. © 2011 Optical Society of America

Search for and Study of Nearly Periodic Orbits in the Plane Problem of Three Equal-Mass Bodies

NASA Astrophysics Data System (ADS)

Martynova, A. I.; Orlov, V. V.

2005-09-01

We analyze nearly periodic solutions in the plane problem of three equal-mass bodies by numerically simulating the dynamics of triple systems. We identify families of orbits in which all three points are on one straight line (syzygy) at the initial time. In this case, at fixed total energy of a triple system, the set of initial conditions is a bounded region in four-dimensional parameter space. We scan this region and identify sets of trajectories in which the coordinates and velocities of all bodies are close to their initial values at certain times (which are approximately multiples of the period). We classify the nearly periodic orbits by the structure of trajectory loops over one period. We have found the families of orbits generated by von Schubart’s stable periodic orbit revealed in the rectilinear three-body problem. We have also found families of hierarchical, nearly periodic trajectories with prograde and retrograde motions. In the orbits with prograde motions, the trajectory loops of two close bodies form looplike structures. The trajectories with retrograde motions are characterized by leafed structures. Orbits with central and axial symmetries are identified among the families found.

Control of asteroid retrieval trajectories to libration point orbits

NASA Astrophysics Data System (ADS)

Ceriotti, Matteo; Sanchez, Joan Pau

2016-09-01

The fascinating idea of shepherding asteroids for science and resource utilization is being considered as a credible concept in a not too distant future. Past studies identified asteroids which could be efficiently injected into manifolds which wind onto periodic orbits around collinear Lagrangian points of the Sun-Earth system. However, the trajectories are unstable, and errors in the capture maneuver would lead to complete mission failure, with potential danger of collision with the Earth, if uncontrolled. This paper investigates the controllability of some asteroids along the transfers and the periodic orbits, assuming the use of a solar-electric low-thrust system shepherding the asteroid. Firstly, an analytical approach is introduced to estimate the stability of the trajectories from a dynamical point of view; then, a numerical control scheme based on a linear quadratic regulator is proposed, where the gains are optimized for each trajectory through a genetic algorithm. A stochastic simulation with a Monte Carlo approach is used to account for different perturbed initial conditions and the epistemic uncertainty on the asteroid mass. Results show that only a small subset of the considered combinations of trajectories/asteroids are reliably controllable, and therefore controllability must be taken into account in the selection of potential targets.

Finite-Time and -Size Scalings in the Evaluation of Large Deviation Functions. Numerical Analysis in Continuous Time

NASA Astrophysics Data System (ADS)

Guevara Hidalgo, Esteban; Nemoto, Takahiro; Lecomte, Vivien

Rare trajectories of stochastic systems are important to understand because of their potential impact. However, their properties are by definition difficult to sample directly. Population dynamics provide a numerical tool allowing their study, by means of simulating a large number of copies of the system, which are subjected to a selection rule that favors the rare trajectories of interest. However, such algorithms are plagued by finite simulation time- and finite population size- effects that can render their use delicate. Using the continuous-time cloning algorithm, we analyze the finite-time and finite-size scalings of estimators of the large deviation functions associated to the distribution of the rare trajectories. We use these scalings in order to propose a numerical approach which allows to extract the infinite-time and infinite-size limit of these estimators.

Dynamics of Teacher-Student Relationships: Stability and Change across Elementary School and the Influence on Children’s Academic Success

PubMed Central

Spilt, Jantine L.; Hughes, Jan N.; Wu, Jiun-Yu; Kwok, Oi-Man

2012-01-01

This study modeled teacher-student relationship trajectories throughout elementary school to predict gains in achievement in an ethnic-diverse sample of 657 academically at-risk students. Teacher reports of Warmth and Conflict were collected in grades 1 to 5. Achievement was tested in grade 1 and 6. For Conflict, low-stable (normative), low-increasing, high-declining, and high-stable trajectories were found. For Warmth, high-declining (normative) and low-increasing patterns were found. Children with early behavioral, academic, or social risks were under-represented in the normative trajectory groups. Chronic conflict was most strongly associated with under achievement. Rising Conflict but not declining Conflict coincided with underachievement. The probability of school failure increased as a function of the timing and length of time children were exposed to relational adversity. PMID:22497209

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

Khan, S; Chin, E; Xing, L

Purpose: The integration of couch motion during arc delivery is necessitated to enable irradiation trajectories such as coronal arcs, and to enhance the geometrical sampling for dynamic deliveries to the highest extent. To enable such capability, a platform of Trajectory Modulated Arc Therapy (TMAT) is developed in conjunction with standardized noncollisional dynamic path-set for irradiation of intracranial lesions. Methods: A generalized path-set was constructed through the combination of sagittal arcs (45 degrees from the CAX), axial arcs, and coronal arcs produced through modulation of the dynamic rotation of couch. The standardized path was implemented in a contiguous manner enabling themore » formation of fully automated sub-trajectories to provide maximal geometrical convergence with minimal number of arcs. Progressive sampling technique is used for direct aperture optimization of the MLCs and the selection of couch positions across the control points. Dosimetry of the resulting plans was assessed relative to clinically delivered plans. Using the TrueBeam Developer Mode, plan deliverability was tested. Results: Treatment planning of TMAT sub-trajectories for central, anterior and posterior tumor sites with volumes ranging from 4.75cc to 107cc demonstrated radically reduced doses to the critical OARs when compared to the clinically treated VMAT. Specifically, percentage reduction in mean dose for critical organs such as brainstem, cochlea, and optic nerve are found to be as low as 74±15%, 50±26% and 74±30% respectively as compared to VMAT. Conformity Index, defined as the ratio of tumor volume (VPTV) and 100% dose volume (V(D100%)), was reduced up to 12% while the Gradient Index, defined as V(D100%)/V(D50%), was concurrently improved by up to 14%. Conclusion: An automated standardized trajectory with dynamically modulated couch-gantry arcs has been developed for intracranial radiotherapy. Through the incorporation of coronal arcs, it is demonstrated that significantly reduced OAR doses can be achieved relative to clinically treated patient plans via VMAT. Research Grant Funding Support by Varian Medical Systems.« less

Lunar Cube Transfer Trajectory Options

NASA Technical Reports Server (NTRS)

Folta, David; Dichmann, Donald James; Clark, Pamela E.; Haapala, Amanda; Howell, Kathleen

2015-01-01

Numerous Earth-Moon trajectory and lunar orbit options are available for Cubesat missions. Given the limited Cubesat injection infrastructure, transfer trajectories are contingent upon the modification of an initial condition of the injected or deployed orbit. Additionally, these transfers can be restricted by the selection or designs of Cubesat subsystems such as propulsion or communication. Nonetheless, many trajectory options can b e considered which have a wide range of transfer duration, fuel requirements, and final destinations. Our investigation of potential trajectories highlights several options including deployment from low Earth orbit (LEO) geostationary transfer orbits (GTO) and higher energy direct lunar transfer and the use of longer duration Earth-Moon dynamical systems. For missions with an intended lunar orbit, much of the design process is spent optimizing a ballistic capture while other science locations such as Sun-Earth libration or heliocentric orbits may simply require a reduced Delta-V imparted at a convenient location along the trajectory.

Lunar Cube Transfer Trajectory Options

NASA Technical Reports Server (NTRS)

Folta, David; Dichmann, Donald J.; Clark, Pamela; Haapala, Amanda; Howell, Kathleen

2015-01-01

Numerous Earth-Moon trajectory and lunar orbit options are available for Cubesat missions. Given the limited Cubesat injection infrastructure, transfer trajectories are contingent upon the modification of an initial condition of the injected or deployed orbit. Additionally, these transfers can be restricted by the selection or designs of Cubesat subsystems such as propulsion or communication. Nonetheless, many trajectory options can be considered which have a wide range of transfer durations, fuel requirements, and final destinations. Our investigation of potential trajectories highlights several options including deployment from low Earth orbit (LEO), geostationary transfer orbits (GTO), and higher energy direct lunar transfers and the use of longer duration Earth-Moon dynamical systems. For missions with an intended lunar orbit, much of the design process is spent optimizing a ballistic capture while other science locations such as Sun-Earth libration or heliocentric orbits may simply require a reduced Delta-V imparted at a convenient location along the trajectory.

Optimal design of near-Earth asteroid sample-return trajectories in the Sun-Earth-Moon system

NASA Astrophysics Data System (ADS)

He, Shengmao; Zhu, Zhengfan; Peng, Chao; Ma, Jian; Zhu, Xiaolong; Gao, Yang

2016-08-01

In the 6th edition of the Chinese Space Trajectory Design Competition held in 2014, a near-Earth asteroid sample-return trajectory design problem was released, in which the motion of the spacecraft is modeled in multi-body dynamics, considering the gravitational forces of the Sun, Earth, and Moon. It is proposed that an electric-propulsion spacecraft initially parking in a circular 200-km-altitude low Earth orbit is expected to rendezvous with an asteroid and carry as much sample as possible back to the Earth in a 10-year time frame. The team from the Technology and Engineering Center for Space Utilization, Chinese Academy of Sciences has reported a solution with an asteroid sample mass of 328 tons, which is ranked first in the competition. In this article, we will present our design and optimization methods, primarily including overall analysis, target selection, escape from and capture by the Earth-Moon system, and optimization of impulsive and low-thrust trajectories that are modeled in multi-body dynamics. The orbital resonance concept and lunar gravity assists are considered key techniques employed for trajectory design. The reported solution, preliminarily revealing the feasibility of returning a hundreds-of-tons asteroid or asteroid sample, envisions future space missions relating to near-Earth asteroid exploration.

Guidance and Control strategies for aerospace vehicles

NASA Technical Reports Server (NTRS)

Hibey, J. L.; Naidu, D. S.; Charalambous, C. D.

1989-01-01

A neighboring optimal guidance scheme was devised for a nonlinear dynamic system with stochastic inputs and perfect measurements as applicable to fuel optimal control of an aeroassisted orbital transfer vehicle. For the deterministic nonlinear dynamic system describing the atmospheric maneuver, a nominal trajectory was determined. Then, a neighboring, optimal guidance scheme was obtained for open loop and closed loop control configurations. Taking modelling uncertainties into account, a linear, stochastic, neighboring optimal guidance scheme was devised. Finally, the optimal trajectory was approximated as the sum of the deterministic nominal trajectory and the stochastic neighboring optimal solution. Numerical results are presented for a typical vehicle. A fuel-optimal control problem in aeroassisted noncoplanar orbital transfer is also addressed. The equations of motion for the atmospheric maneuver are nonlinear and the optimal (nominal) trajectory and control are obtained. In order to follow the nominal trajectory under actual conditions, a neighboring optimum guidance scheme is designed using linear quadratic regulator theory for onboard real-time implementation. One of the state variables is used as the independent variable in reference to the time. The weighting matrices in the performance index are chosen by a combination of a heuristic method and an optimal modal approach. The necessary feedback control law is obtained in order to minimize the deviations from the nominal conditions.

Derivation and definition of a linear aircraft model

NASA Technical Reports Server (NTRS)

Duke, Eugene L.; Antoniewicz, Robert F.; Krambeer, Keith D.

1988-01-01

A linear aircraft model for a rigid aircraft of constant mass flying over a flat, nonrotating earth is derived and defined. The derivation makes no assumptions of reference trajectory or vehicle symmetry. The linear system equations are derived and evaluated along a general trajectory and include both aircraft dynamics and observation variables.

Robust Task Space Trajectory Tracking Control of Robotic Manipulators

NASA Astrophysics Data System (ADS)

Galicki, M.

2016-08-01

This work deals with the problem of the accurate task space trajectory tracking subject to finite-time convergence. Kinematic and dynamic equations of a redundant manipulator are assumed to be uncertain. Moreover, globally unbounded disturbances are allowed to act on the manipulator when tracking the trajectory by the end-effector. Furthermore, the movement is to be accomplished in such a way as to reduce both the manipulator torques and their oscillations thus eliminating the potential robot vibrations. Based on suitably defined task space non-singular terminal sliding vector variable and the Lyapunov stability theory, we propose a class of chattering-free robust controllers, based on the estimation of transpose Jacobian, which seem to be effective in counteracting both uncertain kinematics and dynamics, unbounded disturbances and (possible) kinematic and/or algorithmic singularities met on the robot trajectory. The numerical simulations carried out for a redundant manipulator of a SCARA type consisting of the three revolute kinematic pairs and operating in a two-dimensional task space, illustrate performance of the proposed controllers as well as comparisons with other well known control schemes.

MDTRA: a molecular dynamics trajectory analyzer with a graphical user interface.

PubMed

Popov, Alexander V; Vorobjev, Yury N; Zharkov, Dmitry O

2013-02-05

Most of existing software for analysis of molecular dynamics (MD) simulation results is based on command-line, script-guided processes that require the researchers to have an idea about programming language constructions used, often applied to the one and only product. Here, we describe an open-source cross-platform program, MD Trajectory Reader and Analyzer (MDTRA), that performs a large number of MD analysis tasks assisted with a graphical user interface. The program has been developed to facilitate the process of search and visualization of results. MDTRA can handle trajectories as sets of protein data bank files and presents tools and guidelines to convert some other trajectory formats into such sets. The parameters analyzed by MDTRA include interatomic distances, angles, dihedral angles, angles between planes, one-dimensional and two-dimensional root-mean-square deviation, solvent-accessible area, and so on. As an example of using the program, we describe the application of MDTRA to analyze the MD of formamidopyrimidine-DNA glycosylase, a DNA repair enzyme from Escherichia coli. Copyright © 2012 Wiley Periodicals, Inc.

Leveraging natural dynamical structures to explore multi-body systems

NASA Astrophysics Data System (ADS)

Bosanac, Natasha

Multi-body systems have become the target of an increasing number of mission concepts and observations, supplying further information about the composition, origin and dynamical environment of bodies within the solar system and beyond. In many of these scenarios, identification and characterization of the particular solutions that exist in a circular restricted three-body model is valuable. This insight into the underlying natural dynamical structures is achieved via the application of dynamical systems techniques. One application of such analysis is trajectory design for CubeSats, which are intended to explore cislunar space and other planetary systems. These increasingly complex mission objectives necessitate innovative trajectory design strategies for spacecraft within our solar system, as well as the capability for rapid and well-informed redesign. Accordingly, a trajectory design framework is constructed using dynamical systems techniques and demonstrated for the Lunar IceCube mission. An additional application explored in this investigation involves the motion of an exoplanet near a binary star system. Due to the strong gravitational field near a binary star, physicists have previously leveraged these systems as testbeds for examining the validity of gravitational and relativistic theories. In this investigation, a preliminary analysis into the effect of an additional three-body interaction on the dynamical environment near a large mass ratio binary system is conducted. As demonstrated through both of these sample applications, identification and characterization of the natural particular solutions that exist within a multi-body system supports a well-informed and guided analysis.

Video Game Learning Dynamics: Actionable Measures of Multidimensional Learning Trajectories

ERIC Educational Resources Information Center

Reese, Debbie Denise; Tabachnick, Barbara G.; Kosko, Robert E.

2015-01-01

Valid, accessible, reusable methods for instructional video game design and embedded assessment can provide actionable information enhancing individual and collective achievement. Cyberlearning through game-based, metaphor-enhanced learning objects (CyGaMEs) design and embedded assessment quantify player behavior to study knowledge discovery and…

Colloidal particle electrorotation in a nonuniform electric field

NASA Astrophysics Data System (ADS)

Hu, Yi; Vlahovska, Petia M.; Miksis, Michael J.

2018-01-01

A model to study the dynamics of colloidal particles in nonuniform electric fields is proposed. For an isolated sphere, the conditions and threshold for sustained (Quincke) rotation in a linear direct current (dc) field are determined. Particle dynamics becomes more complex with increasing electric field strength, changing from steady spinning around the particle center to time-dependent orbiting motion around the minimum field location. Pairs of particles exhibit intricate trajectories, which are a combination of translation, due to dielectrophoresis, and rotation, due to the Quincke effect. Our model provides a basis to study the collective dynamics of many particles in a general electric field.

Colloidal particle electrorotation in a nonuniform electric field.

PubMed

Hu, Yi; Vlahovska, Petia M; Miksis, Michael J

2018-01-01

A model to study the dynamics of colloidal particles in nonuniform electric fields is proposed. For an isolated sphere, the conditions and threshold for sustained (Quincke) rotation in a linear direct current (dc) field are determined. Particle dynamics becomes more complex with increasing electric field strength, changing from steady spinning around the particle center to time-dependent orbiting motion around the minimum field location. Pairs of particles exhibit intricate trajectories, which are a combination of translation, due to dielectrophoresis, and rotation, due to the Quincke effect. Our model provides a basis to study the collective dynamics of many particles in a general electric field.

Study of atmospheric dynamics and pollution in the coastal area of English Channel using clustering technique

NASA Astrophysics Data System (ADS)

Sokolov, Anton; Dmitriev, Egor; Delbarre, Hervé; Augustin, Patrick; Gengembre, Cyril; Fourmenten, Marc

2016-04-01

The problem of atmospheric contamination by principal air pollutants was considered in the industrialized coastal region of English Channel in Dunkirk influenced by north European metropolitan areas. MESO-NH nested models were used for the simulation of the local atmospheric dynamics and the online calculation of Lagrangian backward trajectories with 15-minute temporal resolution and the horizontal resolution down to 500 m. The one-month mesoscale numerical simulation was coupled with local pollution measurements of volatile organic components, particulate matter, ozone, sulphur dioxide and nitrogen oxides. Principal atmospheric pathways were determined by clustering technique applied to backward trajectories simulated. Six clusters were obtained which describe local atmospheric dynamics, four winds blowing through the English Channel, one coming from the south, and the biggest cluster with small wind speeds. This last cluster includes mostly sea breeze events. The analysis of meteorological data and pollution measurements allows relating the principal atmospheric pathways with local air contamination events. It was shown that contamination events are mostly connected with a channelling of pollution from local sources and low-turbulent states of the local atmosphere.

Ehrenfest dynamics is purity non-preserving: A necessary ingredient for decoherence

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

Alonso, J. L.; Instituto de Biocomputacion y Fisica de Sistemas Complejos; Unidad Asociada IQFR-BIFI, Universidad de Zaragoza, Mariano Esquillor s/n, E-50018 Zaragoza

2012-08-07

We discuss the evolution of purity in mixed quantum/classical approaches to electronic nonadiabatic dynamics in the context of the Ehrenfest model. As it is impossible to exactly determine initial conditions for a realistic system, we choose to work in the statistical Ehrenfest formalism that we introduced in Alonso et al. [J. Phys. A: Math. Theor. 44, 396004 (2011)]. From it, we develop a new framework to determine exactly the change in the purity of the quantum subsystem along with the evolution of a statistical Ehrenfest system. In a simple case, we verify how and to which extent Ehrenfest statistical dynamicsmore » makes a system with more than one classical trajectory, and an initial quantum pure state become a quantum mixed one. We prove this numerically showing how the evolution of purity depends on time, on the dimension of the quantum state space D, and on the number of classical trajectories N of the initial distribution. The results in this work open new perspectives for studying decoherence with Ehrenfest dynamics.« less

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

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

Dynamical Cognitive Models of Social Issues in Russia

NASA Astrophysics Data System (ADS)

Mitina, Olga; Abraham, Fred; Petrenko, Victor

We examine and model dynamics in three areas of social cognition: (1) political transformations within Russia, (2) evaluation of political trends in other countries by Russians, and (3) evaluation of Russian stereotypes concerning women. We try to represent consciousness as vectorfields and trajectories in a cognitive state space. We use psychosemantic techniques that allow definition of the state space and the systematic construction of these vectorfields and trajectories and their portrait from research data. Then we construct models to fit them, using multiple regression methods to obtain linear differential equations. These dynamical models of social cognition fit the data quite well. (1) The political transformations were modeled by a spiral repellor in a two-dimensional space of a democratic-totalitarian factor and social depression-optimism factor. (2) The evaluation of alien political trends included a flow away from a saddle toward more stable and moderate political regimes in a 2D space, of democratic-totalitarian and unstable-stable cognitive dimensions. (3) The gender study showed expectations (attractors) for more liberated, emancipated roles for women in the future.

Libration Orbit Mission Design: Applications of Numerical & Dynamical Methods

NASA Technical Reports Server (NTRS)

Bauer, Frank (Technical Monitor); Folta, David; Beckman, Mark

2002-01-01

Sun-Earth libration point orbits serve as excellent locations for scientific investigations. These orbits are often selected to minimize environmental disturbances and maximize observing efficiency. Trajectory design in support of libration orbits is ever more challenging as more complex missions are envisioned in the next decade. Trajectory design software must be further enabled to incorporate better understanding of the libration orbit solution space and thus improve the efficiency and expand the capabilities of current approaches. The Goddard Space Flight Center (GSFC) is currently supporting multiple libration missions. This end-to-end support consists of mission operations, trajectory design, and control. It also includes algorithm and software development. The recently launched Microwave Anisotropy Probe (MAP) and upcoming James Webb Space Telescope (JWST) and Constellation-X missions are examples of the use of improved numerical methods for attaining constrained orbital parameters and controlling their dynamical evolution at the collinear libration points. This paper presents a history of libration point missions, a brief description of the numerical and dynamical design techniques including software used, and a sample of future GSFC mission designs.

Simulating Flying Insects Using Dynamics and Data-Driven Noise Modeling to Generate Diverse Collective Behaviors

PubMed Central

Ren, Jiaping; Wang, Xinjie; Manocha, Dinesh

2016-01-01

We present a biologically plausible dynamics model to simulate swarms of flying insects. Our formulation, which is based on biological conclusions and experimental observations, is designed to simulate large insect swarms of varying densities. We use a force-based model that captures different interactions between the insects and the environment and computes collision-free trajectories for each individual insect. Furthermore, we model the noise as a constructive force at the collective level and present a technique to generate noise-induced insect movements in a large swarm that are similar to those observed in real-world trajectories. We use a data-driven formulation that is based on pre-recorded insect trajectories. We also present a novel evaluation metric and a statistical validation approach that takes into account various characteristics of insect motions. In practice, the combination of Curl noise function with our dynamics model is used to generate realistic swarm simulations and emergent behaviors. We highlight its performance for simulating large flying swarms of midges, fruit fly, locusts and moths and demonstrate many collective behaviors, including aggregation, migration, phase transition, and escape responses. PMID:27187068

The Best Estimated Trajectory Analysis for Pad Abort One

NASA Technical Reports Server (NTRS)

Kutty, Prasad; Noonan, Meghan; Karlgaard, Christopher; Beck, Roger

2011-01-01

I. Best Estimated Trajectory (BET) objective: a) Produce reconstructed trajectory of the PA-1 flight to understand vehicle dynamics and aid other post flight analyses. b) Leverage all measurement sources taken of vehicle during flight to produce the most accurate estimate of vehicle trajectory. c) Generate trajectory reconstructions of the Crew Module (CM), Launch Abort System (LAS), and Forward Bay Cover (FBC). II. BET analysis was started immediately following the PA-1 mission and was completed in September, 2010 a) Quick look version of BET released 5/25/2010: initial repackaging of SIGI data. b) Preliminary version of BET released 7/6/2010: first blended solution using available sources of external measurements. c) Final version of BET released 9/1/2010: final blended solution using all available sources of data.

Axial to transverse energy mixing dynamics in octupole-based magnetostatic antihydrogen traps

NASA Astrophysics Data System (ADS)

Zhong, M.; Fajans, J.; Zukor, A. F.

2018-05-01

The nature of the trajectories of antihydrogen atoms confined in an octupole minimum-B trap is of great importance for upcoming spectroscopy, cooling, and gravity experiments. Of particular interest is the mixing time between the axial and transverse energies for the antiatoms. Here, using computer simulations, we establish that almost all trajectories are chaotic, and then quantify the characteristic mixing time between the axial and transverse energies. We find that there are two classes of trajectories: for trajectories whose axial energy is higher than about 20% of the total energy, the axial energy substantially mixes within about 10 s, whereas for trajectories whose axial energy is lower than about 10% of the total energy, the axial energy remains nearly constant for 1000 s or longer.

A high-precision instrument for analyzing nonlinear dynamic behavior of bearing cage.

PubMed

Yang, Z; Chen, H; Yu, T; Li, B

2016-08-01

The high-precision ball bearing is fundamental to the performance of complex mechanical systems. As the speed increases, the cage behavior becomes a key factor in influencing the bearing performance, especially life and reliability. This paper develops a high-precision instrument for analyzing nonlinear dynamic behavior of the bearing cage. The trajectory of the rotational center and non-repetitive run-out (NRRO) of the cage are used to evaluate the instability of cage motion. This instrument applied an aerostatic spindle to support and spin test the bearing to decrease the influence of system error. Then, a high-speed camera is used to capture images when the bearing works at high speeds. A 3D trajectory tracking software tema Motion is used to track the spot which marked the cage surface. Finally, by developing the matlab program, a Lissajous' figure was used to evaluate the nonlinear dynamic behavior of the cage with different speeds. The trajectory of rotational center and NRRO of the cage with various speeds are analyzed. The results can be used to predict the initial failure and optimize cage structural parameters. In addition, the repeatability precision of instrument is also validated. In the future, the motorized spindle will be applied to increase testing speed and image processing algorithms will be developed to analyze the trajectory of the cage.

A high-precision instrument for analyzing nonlinear dynamic behavior of bearing cage

NASA Astrophysics Data System (ADS)

Yang, Z.; Chen, H.; Yu, T.; Li, B.

2016-08-01

The high-precision ball bearing is fundamental to the performance of complex mechanical systems. As the speed increases, the cage behavior becomes a key factor in influencing the bearing performance, especially life and reliability. This paper develops a high-precision instrument for analyzing nonlinear dynamic behavior of the bearing cage. The trajectory of the rotational center and non-repetitive run-out (NRRO) of the cage are used to evaluate the instability of cage motion. This instrument applied an aerostatic spindle to support and spin test the bearing to decrease the influence of system error. Then, a high-speed camera is used to capture images when the bearing works at high speeds. A 3D trajectory tracking software tema Motion is used to track the spot which marked the cage surface. Finally, by developing the matlab program, a Lissajous' figure was used to evaluate the nonlinear dynamic behavior of the cage with different speeds. The trajectory of rotational center and NRRO of the cage with various speeds are analyzed. The results can be used to predict the initial failure and optimize cage structural parameters. In addition, the repeatability precision of instrument is also validated. In the future, the motorized spindle will be applied to increase testing speed and image processing algorithms will be developed to analyze the trajectory of the cage.

A high-precision instrument for analyzing nonlinear dynamic behavior of bearing cage

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

Yang, Z., E-mail: zhaohui@nwpu.edu.cn; Yu, T.; Chen, H.

2016-08-15

The high-precision ball bearing is fundamental to the performance of complex mechanical systems. As the speed increases, the cage behavior becomes a key factor in influencing the bearing performance, especially life and reliability. This paper develops a high-precision instrument for analyzing nonlinear dynamic behavior of the bearing cage. The trajectory of the rotational center and non-repetitive run-out (NRRO) of the cage are used to evaluate the instability of cage motion. This instrument applied an aerostatic spindle to support and spin test the bearing to decrease the influence of system error. Then, a high-speed camera is used to capture images whenmore » the bearing works at high speeds. A 3D trajectory tracking software TEMA Motion is used to track the spot which marked the cage surface. Finally, by developing the MATLAB program, a Lissajous’ figure was used to evaluate the nonlinear dynamic behavior of the cage with different speeds. The trajectory of rotational center and NRRO of the cage with various speeds are analyzed. The results can be used to predict the initial failure and optimize cage structural parameters. In addition, the repeatability precision of instrument is also validated. In the future, the motorized spindle will be applied to increase testing speed and image processing algorithms will be developed to analyze the trajectory of the cage.« less

Analysis of microtubule growth dynamics arising from altered actin network structure and contractility in breast tumor cells

NASA Astrophysics Data System (ADS)

Ory, Eleanor C.; Bhandary, Lekhana; E Boggs, Amanda; Chakrabarti, Kristi R.; Parker, Joshua; Losert, Wolfgang; Martin, Stuart S.

2017-04-01

The periphery of epithelial cells is shaped by opposing cytoskeletal physical forces generated predominately by two dynamic force generating systems—growing microtubule ends push against the boundary from the cell center, and the actin cortex contracts the attached plasma membrane. Here we investigate how changes to the structure and dynamics of the actin cortex alter the dynamics of microtubules. Current drugs target actin polymerization and contraction to reduce cell division and invasiveness; however, the impacts on microtubule dynamics remain incompletely understood. Using human MCF-7 breast tumor cells expressing GFP-tagged microtubule end-binding-protein-1 (EB1) and coexpression of cytoplasmic fluorescent protein mCherry, we map the trajectories of growing microtubule ends and cytoplasmic boundary respectively. Based on EB1 tracks and cytoplasmic boundary outlines, we calculate the speed, distance from cytoplasmic boundary, and straightness of microtubule growth. Actin depolymerization with Latrunculin-A reduces EB1 growth speed as well as allows the trajectories to extend beyond the cytoplasmic boundary. Blebbistatin, a direct myosin-II inhibitor, reduced EB1 speed and yielded less straight EB1 trajectories. Inhibiting signaling upstream of myosin-II contractility via the Rho-kinase inhibitor, Y-27632, altered EB1 dynamics differently from Blebbistatin. These results indicate that reduced actin cortex integrity can induce distinct alterations in microtubule dynamics. Given recent findings that tumor stem cell characteristics are increased by drugs which reduce actin contractility or stabilize microtubules, it remains important to clearly define how cytoskeletal drugs alter the interactions between these two filament systems in tumor cells.

Rapid space trajectory generation using a Fourier series shape-based approach

NASA Astrophysics Data System (ADS)

Taheri, Ehsan

With the insatiable curiosity of human beings to explore the universe and our solar system, it is essential to benefit from larger propulsion capabilities to execute efficient transfers and carry more scientific equipments. In the field of space trajectory optimization the fundamental advances in using low-thrust propulsion and exploiting the multi-body dynamics has played pivotal role in designing efficient space mission trajectories. The former provides larger cumulative momentum change in comparison with the conventional chemical propulsion whereas the latter results in almost ballistic trajectories with negligible amount of propellant. However, the problem of space trajectory design translates into an optimal control problem which is, in general, time-consuming and very difficult to solve. Therefore, the goal of the thesis is to address the above problem by developing a methodology to simplify and facilitate the process of finding initial low-thrust trajectories in both two-body and multi-body environments. This initial solution will not only provide mission designers with a better understanding of the problem and solution but also serves as a good initial guess for high-fidelity optimal control solvers and increases their convergence rate. Almost all of the high-fidelity solvers enjoy the existence of an initial guess that already satisfies the equations of motion and some of the most important constraints. Despite the nonlinear nature of the problem, it is sought to find a robust technique for a wide range of typical low-thrust transfers with reduced computational intensity. Another important aspect of our developed methodology is the representation of low-thrust trajectories by Fourier series with which the number of design variables reduces significantly. Emphasis is given on simplifying the equations of motion to the possible extent and avoid approximating the controls. These facts contribute to speeding up the solution finding procedure. Several example applications of two and three-dimensional two-body low-thrust transfers are considered. In addition, in the multi-body dynamic, and in particular the restricted-three-body dynamic, several Earth-to-Moon low-thrust transfers are investigated.

Trajectory following and stabilization control of fully actuated AUV using inverse kinematics and self-tuning fuzzy PID.

PubMed

Hammad, Mohanad M; Elshenawy, Ahmed K; El Singaby, M I

2017-01-01

In this work a design for self-tuning non-linear Fuzzy Proportional Integral Derivative (FPID) controller is presented to control position and speed of Multiple Input Multiple Output (MIMO) fully-actuated Autonomous Underwater Vehicles (AUV) to follow desired trajectories. Non-linearity that results from the hydrodynamics and the coupled AUV dynamics makes the design of a stable controller a very difficult task. In this study, the control scheme in a simulation environment is validated using dynamic and kinematic equations for the AUV model and hydrodynamic damping equations. An AUV configuration with eight thrusters and an inverse kinematic model from a previous work is utilized in the simulation. In the proposed controller, Mamdani fuzzy rules are used to tune the parameters of the PID. Nonlinear fuzzy Gaussian membership functions are selected to give better performance and response in the non-linear system. A control architecture with two feedback loops is designed such that the inner loop is for velocity control and outer loop is for position control. Several test scenarios are executed to validate the controller performance including different complex trajectories with and without injection of ocean current disturbances. A comparison between the proposed FPID controller and the conventional PID controller is studied and shows that the FPID controller has a faster response to the reference signal and more stable behavior in a disturbed non-linear environment.

Trajectory following and stabilization control of fully actuated AUV using inverse kinematics and self-tuning fuzzy PID

PubMed Central

Elshenawy, Ahmed K.; El Singaby, M.I.

2017-01-01

In this work a design for self-tuning non-linear Fuzzy Proportional Integral Derivative (FPID) controller is presented to control position and speed of Multiple Input Multiple Output (MIMO) fully-actuated Autonomous Underwater Vehicles (AUV) to follow desired trajectories. Non-linearity that results from the hydrodynamics and the coupled AUV dynamics makes the design of a stable controller a very difficult task. In this study, the control scheme in a simulation environment is validated using dynamic and kinematic equations for the AUV model and hydrodynamic damping equations. An AUV configuration with eight thrusters and an inverse kinematic model from a previous work is utilized in the simulation. In the proposed controller, Mamdani fuzzy rules are used to tune the parameters of the PID. Nonlinear fuzzy Gaussian membership functions are selected to give better performance and response in the non-linear system. A control architecture with two feedback loops is designed such that the inner loop is for velocity control and outer loop is for position control. Several test scenarios are executed to validate the controller performance including different complex trajectories with and without injection of ocean current disturbances. A comparison between the proposed FPID controller and the conventional PID controller is studied and shows that the FPID controller has a faster response to the reference signal and more stable behavior in a disturbed non-linear environment. PMID:28683071

A New Computational Technique for the Generation of Optimised Aircraft Trajectories

NASA Astrophysics Data System (ADS)

Chircop, Kenneth; Gardi, Alessandro; Zammit-Mangion, David; Sabatini, Roberto

2017-12-01

A new computational technique based on Pseudospectral Discretisation (PSD) and adaptive bisection ɛ-constraint methods is proposed to solve multi-objective aircraft trajectory optimisation problems formulated as nonlinear optimal control problems. This technique is applicable to a variety of next-generation avionics and Air Traffic Management (ATM) Decision Support Systems (DSS) for strategic and tactical replanning operations. These include the future Flight Management Systems (FMS) and the 4-Dimensional Trajectory (4DT) planning and intent negotiation/validation tools envisaged by SESAR and NextGen for a global implementation. In particular, after describing the PSD method, the adaptive bisection ɛ-constraint method is presented to allow an efficient solution of problems in which two or multiple performance indices are to be minimized simultaneously. Initial simulation case studies were performed adopting suitable aircraft dynamics models and addressing a classical vertical trajectory optimisation problem with two objectives simultaneously. Subsequently, a more advanced 4DT simulation case study is presented with a focus on representative ATM optimisation objectives in the Terminal Manoeuvring Area (TMA). The simulation results are analysed in-depth and corroborated by flight performance analysis, supporting the validity of the proposed computational techniques.

Distinct Patterns of Cognitive Conflict Dynamics in Promise Keepers and Promise Breakers.

PubMed

Calluso, Cinzia; Saulin, Anne; Baumgartner, Thomas; Knoch, Daria

2018-01-01

On a daily basis, we see how different people can be in keeping or breaking a given promise. However, we know very little about the cognitive conflict dynamics that underlie the decision to keep or break a promise and whether this is shaped by inter-individual variability. In order to fill this gap, we applied an ecologically valid promise decision task with real monetary consequences for all involved interaction partners and used mouse tracking to identify the dynamic, on-line cognitive processes that underlie the decision to keep or break a promise. Our findings revealed that on average, the process of breaking a promise is associated with largely curved mouse trajectories, while the process of keeping a promise was not, indicating that breaking a promise is associated with a larger conflict. Interestingly, however, this conflict pattern was strongly shaped by individual differences. Individuals who always kept their promises did not show any signs of conflict (i.e., straight mouse trajectories), indicating that they were not tempted by the monetary benefits associated with breaking the promise. In contrast, individuals who did not always keep their promise exhibited a large conflict (i.e., curved mouse trajectories), irrespective of whether they broke or kept their promise. A possible interpretation of these findings is that these individuals were always tempted by the unchosen decision option - the desire to act in a fair manner when breaking the promise and the monetary benefits when keeping the promise. This study provides the first piece of evidence that there are substantial inter-individual differences in cognitive conflict dynamics that underlie the decision to keep or break promises and that mouse tracking is able to illuminate important insights into individual differences in complex human's decision processes.

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

NASA Technical Reports Server (NTRS)

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

2012-01-01

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

Supersonic Flight Dynamics Test 1 - Post-Flight Assessment of Simulation Performance

NASA Technical Reports Server (NTRS)

Dutta, Soumyo; Bowes, Angela L.; Striepe, Scott A.; Davis, Jody L.; Queen, Eric M.; Blood, Eric M.; Ivanov, Mark C.

2015-01-01

NASA's Low Density Supersonic Decelerator (LDSD) project conducted its first Supersonic Flight Dynamics Test (SFDT-1) on June 28, 2014. Program to Optimize Simulated Trajectories II (POST2) was one of the flight dynamics codes used to simulate and predict the flight performance and Monte Carlo analysis was used to characterize the potential flight conditions experienced by the test vehicle. This paper compares the simulation predictions with the reconstructed trajectory of SFDT-1. Additionally, off-nominal conditions seen during flight are modeled in post-flight simulations to find the primary contributors that reconcile the simulation with flight data. The results of these analyses are beneficial for the pre-flight simulation and targeting of the follow-on SFDT flights currently scheduled for summer 2015.

Application of principal component analysis in protein unfolding: an all-atom molecular dynamics simulation study.

PubMed

Das, Atanu; Mukhopadhyay, Chaitali

2007-10-28

We have performed molecular dynamics (MD) simulation of the thermal denaturation of one protein and one peptide-ubiquitin and melittin. To identify the correlation in dynamics among various secondary structural fragments and also the individual contribution of different residues towards thermal unfolding, principal component analysis method was applied in order to give a new insight to protein dynamics by analyzing the contribution of coefficients of principal components. The cross-correlation matrix obtained from MD simulation trajectory provided important information regarding the anisotropy of backbone dynamics that leads to unfolding. Unfolding of ubiquitin was found to be a three-state process, while that of melittin, though smaller and mostly helical, is more complicated.

Application of principal component analysis in protein unfolding: An all-atom molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Das, Atanu; Mukhopadhyay, Chaitali

2007-10-01

We have performed molecular dynamics (MD) simulation of the thermal denaturation of one protein and one peptide—ubiquitin and melittin. To identify the correlation in dynamics among various secondary structural fragments and also the individual contribution of different residues towards thermal unfolding, principal component analysis method was applied in order to give a new insight to protein dynamics by analyzing the contribution of coefficients of principal components. The cross-correlation matrix obtained from MD simulation trajectory provided important information regarding the anisotropy of backbone dynamics that leads to unfolding. Unfolding of ubiquitin was found to be a three-state process, while that of melittin, though smaller and mostly helical, is more complicated.

Biological Implications of Dynamical Phases in Non-equilibrium Networks

NASA Astrophysics Data System (ADS)

Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

2016-03-01

Biology achieves novel functions like error correction, ultra-sensitivity and accurate concentration measurement at the expense of free energy through Maxwell Demon-like mechanisms. The design principles and free energy trade-offs have been studied for a variety of such mechanisms. In this review, we emphasize a perspective based on dynamical phases that can explain commonalities shared by these mechanisms. Dynamical phases are defined by typical trajectories executed by non-equilibrium systems in the space of internal states. We find that coexistence of dynamical phases can have dramatic consequences for function vs free energy cost trade-offs. Dynamical phases can also provide an intuitive picture of the design principles behind such biological Maxwell Demons.

A reduced basis method for molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Vincent-Finley, Rachel Elisabeth

In this dissertation, we develop a method for molecular simulation based on principal component analysis (PCA) of a molecular dynamics trajectory and least squares approximation of a potential energy function. Molecular dynamics (MD) simulation is a computational tool used to study molecular systems as they evolve through time. With respect to protein dynamics, local motions, such as bond stretching, occur within femtoseconds, while rigid body and large-scale motions, occur within a range of nanoseconds to seconds. To capture motion at all levels, time steps on the order of a femtosecond are employed when solving the equations of motion and simulations must continue long enough to capture the desired large-scale motion. To date, simulations of solvated proteins on the order of nanoseconds have been reported. It is typically the case that simulations of a few nanoseconds do not provide adequate information for the study of large-scale motions. Thus, the development of techniques that allow longer simulation times can advance the study of protein function and dynamics. In this dissertation we use principal component analysis (PCA) to identify the dominant characteristics of an MD trajectory and to represent the coordinates with respect to these characteristics. We augment PCA with an updating scheme based on a reduced representation of a molecule and consider equations of motion with respect to the reduced representation. We apply our method to butane and BPTI and compare the results to standard MD simulations of these molecules. Our results indicate that the molecular activity with respect to our simulation method is analogous to that observed in the standard MD simulation with simulations on the order of picoseconds.

Lateral eddy diffusivity estimates from simulated and observed drifter trajectories: a case study for the Agulhas Current system

NASA Astrophysics Data System (ADS)

Rühs, Siren; Zhurbas, Victor; Durgadoo, Jonathan V.; Biastoch, Arne

2017-04-01

The Lagrangian description of fluid motion by sets of individual particle trajectories is extensively used to characterize connectivity between distinct oceanic locations. One important factor influencing the connectivity is the average rate of particle dispersal, generally quantified as Lagrangian diffusivity. In addition to Lagrangian observing programs, Lagrangian analyses are performed by advecting particles with the simulated flow field of ocean general circulation models (OGCMs). However, depending on the spatio-temporal model resolution, not all scale-dependent processes are explicitly resolved in the simulated velocity fields. Consequently, the dispersal of advective Lagrangian trajectories has been assumed not to be sufficiently diffusive compared to observed particle spreading. In this study we present a detailed analysis of the spatially variable lateral eddy diffusivity characteristics of advective drifter trajectories simulated with realistically forced OGCMs and compare them with estimates based on observed drifter trajectories. The extended Agulhas Current system around South Africa, known for its intricate mesoscale dynamics, serves as a test case. We show that a state-of-the-art eddy-resolving OGCM indeed features theoretically derived dispersion characteristics for diffusive regimes and realistically represents Lagrangian eddy diffusivity characteristics obtained from observed surface drifter trajectories. The estimates for the maximum and asymptotic lateral single-particle eddy diffusivities obtained from the observed and simulated drifter trajectories show a good agreement in their spatial pattern and magnitude. We further assess the sensitivity of the simulated lateral eddy diffusivity estimates to the temporal and lateral OGCM output resolution and examine the impact of the different eddy diffusivity characteristics on the Lagrangian connectivity between the Indian Ocean and the South Atlantic.

Payload vehicle aerodynamic reentry analysis

NASA Astrophysics Data System (ADS)

Tong, Donald

An approach for analyzing the dynamic behavior of a cone-cylinder payload vehicle during reentry to insure proper deployment of the parachute system and recovery of the payload is presented. This analysis includes the study of an aerodynamic device that is useful in extending vehicle axial rotation through the maximum dynamic pressure region. Attention is given to vehicle configuration and reentry trajectory, the derivation of pitch static aerodynamics, the derivation of the pitch damping coefficient, pitching moment modeling, aerodynamic roll device modeling, and payload vehicle reentry dynamics. It is shown that the vehicle dynamics at parachute deployment are well within the design limit of the recovery system, thus ensuring successful payload recovery.

Adjustable Trajectory Design Based on Node Density for Mobile Sink in WSNs

PubMed Central

Yang, Guisong; Liu, Shuai; He, Xingyu; Xiong, Naixue; Wu, Chunxue

2016-01-01

The design of movement trajectories for mobile sink plays an important role in data gathering for Wireless Sensor Networks (WSNs), as it affects the network coverage, and packet delivery ratio, as well as the network lifetime. In some scenarios, the whole network can be divided into subareas where the nodes are randomly deployed. The node densities of these subareas are quite different, which may result in a decreased packet delivery ratio and network lifetime if the movement trajectory of the mobile sink cannot adapt to these differences. To address these problems, we propose an adjustable trajectory design method based on node density for mobile sink in WSNs. The movement trajectory of the mobile sink in each subarea follows the Hilbert space-filling curve. Firstly, the trajectory is constructed based on network size. Secondly, the adjustable trajectory is established based on node density in specific subareas. Finally, the trajectories in each subarea are combined to acquire the whole network’s movement trajectory for the mobile sink. In addition, an adaptable power control scheme is designed to adjust nodes’ transmitting range dynamically according to the movement trajectory of the mobile sink in each subarea. The simulation results demonstrate that the proposed trajectories can adapt to network changes flexibly, thus outperform both in packet delivery ratio and in energy consumption the trajectories designed only based on the network size and the whole network node density. PMID:27941662

Spatiotemporal dynamics and optical vortices in a photorefractive phase-conjugate resonator

NASA Technical Reports Server (NTRS)

Liu, Siuying Raymond; Indebetouw, Guy

1992-01-01

A truncated modal expansion approach is used to study the spatiotemporal dynamics of a phase-conjugate resonator as a function of Bragg detuning. The numerical results reveal a rich variety of behaviors. Emphasis is given to the spatial distribution of optical vortices, their trajectories and their relationship to the beam's spatial coherence. The limitations of the model are discussed and experimental results are presented for comparison with the model's predictions and assessment of its soundness.

Windfield and trajectory models for tornado-propelled objects. Final report

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

Redmann, G.H.; Radbill, J.R.; Marte, J.E.

1983-03-01

This is the final report of a three-phased research project to develop a six-degree-of-freedom mathematical model to predict the trajectories of tornado-propelled objects. The model is based on the meteorological, aerodynamic, and dynamic processes that govern the trajectories of missiles in a tornadic windfield. The aerodynamic coefficients for the postulated missiles were obtained from full-scale wind tunnel tests on a 12-inch pipe and car and from drop tests. Rocket sled tests were run whereby the 12-inch pipe and car were injected into a worst-case tornado windfield in order to verify the trajectory model. To simplify and facilitate the use ofmore » the trajectory model for design applications without having to run the computer program, this report gives the trajectory data for NRC-postulated missiles in tables based on given variables of initial conditions of injection and tornado windfield. Complete descriptions of the tornado windfield and trajectory models are presented. The trajectory model computer program is also included for those desiring to perform trajectory or sensitivity analyses beyond those included in the report or for those wishing to examine other missiles and use other variables.« less

A Lagrangian Formulation of Neural Networks I: Theory and Analog Dynamics

NASA Technical Reports Server (NTRS)

Mjolsness, Eric; Miranker, Willard L.

1997-01-01

We expand the mathematicla apparatus for relaxation networks, which conventionally consists of an objective function E and a dynamics given by a system of differenctial equations along whose trajectories E is diminished.

Applications of Multi-Body Dynamical Environments: The ARTEMIS Transfer Trajectory Design

NASA Technical Reports Server (NTRS)

Folta, David C.; Woodard, Mark; Howell, Kathleen; Patterson, Chris; Schlei, Wayne

2010-01-01

The application of forces in multi-body dynamical environments to pennit the transfer of spacecraft from Earth orbit to Sun-Earth weak stability regions and then return to the Earth-Moon libration (L1 and L2) orbits has been successfully accomplished for the first time. This demonstrated transfer is a positive step in the realization of a design process that can be used to transfer spacecraft with minimal Delta-V expenditures. Initialized using gravity assists to overcome fuel constraints; the ARTEMIS trajectory design has successfully placed two spacecraft into EarthMoon libration orbits by means of these applications.

How Decisions Evolve: The Temporal Dynamics of Action Selection

ERIC Educational Resources Information Center

Scherbaum, Stefan; Dshemuchadse, Maja; Fischer, Rico; Goschke, Thomas

2010-01-01

To study the process of decision-making under conflict, researchers typically analyze response latency and accuracy. However, these tools provide little evidence regarding how the resolution of conflict unfolds over time. Here, we analyzed the trajectories of mouse movements while participants performed a continuous version of a spatial conflict…

The physics of badminton

NASA Astrophysics Data System (ADS)

Cohen, Caroline; Darbois Texier, Baptiste; Quéré, David; Clanet, Christophe

2015-06-01

The conical shape of a shuttlecock allows it to flip on impact. As a light and extended particle, it flies with a pure drag trajectory. We first study the flip phenomenon and the dynamics of the flight and then discuss the implications on the game. Lastly, a possible classification of different shots is proposed.

Justice as a Dynamic Construct: Effects of Individual Trajectories on Distal Work Outcomes

ERIC Educational Resources Information Center

Hausknecht, John P.; Sturman, Michael C.; Roberson, Quinetta M.

2011-01-01

Despite an amassing organizational justice literature, few studies have directly addressed the temporal patterning of justice judgments and the effects that changes in these perceptions have on important work outcomes. Drawing from Gestalt characteristics theory (Ariely & Carmon, 2000, 2003), we examine the concept of justice trajectories…

Extension of Liouville Formalism to Postinstability Dynamics

NASA Technical Reports Server (NTRS)

Zak, Michail

2003-01-01

A mathematical formalism has been developed for predicting the postinstability motions of a dynamic system governed by a system of nonlinear equations and subject to initial conditions. Previously, there was no general method for prediction and mathematical modeling of postinstability behaviors (e.g., chaos and turbulence) in such a system. The formalism of nonlinear dynamics does not afford means to discriminate between stable and unstable motions: an additional stability analysis is necessary for such discrimination. However, an additional stability analysis does not suggest any modifications of a mathematical model that would enable the model to describe postinstability motions efficiently. The most important type of instability that necessitates a postinstability description is associated with positive Lyapunov exponents. Such an instability leads to exponential growth of small errors in initial conditions or, equivalently, exponential divergence of neighboring trajectories. The development of the present formalism was undertaken in an effort to remove positive Lyapunov exponents. The means chosen to accomplish this is coupling of the governing dynamical equations with the corresponding Liouville equation that describes the evolution of the flow of error probability. The underlying idea is to suppress the divergences of different trajectories that correspond to different initial conditions, without affecting a target trajectory, which is one that starts with prescribed initial conditions.

Classification of Dynamical Diffusion States in Single Molecule Tracking Microscopy

PubMed Central

Bosch, Peter J.; Kanger, Johannes S.; Subramaniam, Vinod

2014-01-01

Single molecule tracking of membrane proteins by fluorescence microscopy is a promising method to investigate dynamic processes in live cells. Translating the trajectories of proteins to biological implications, such as protein interactions, requires the classification of protein motion within the trajectories. Spatial information of protein motion may reveal where the protein interacts with cellular structures, because binding of proteins to such structures often alters their diffusion speed. For dynamic diffusion systems, we provide an analytical framework to determine in which diffusion state a molecule is residing during the course of its trajectory. We compare different methods for the quantification of motion to utilize this framework for the classification of two diffusion states (two populations with different diffusion speed). We found that a gyration quantification method and a Bayesian statistics-based method are the most accurate in diffusion-state classification for realistic experimentally obtained datasets, of which the gyration method is much less computationally demanding. After classification of the diffusion, the lifetime of the states can be determined, and images of the diffusion states can be reconstructed at high resolution. Simulations validate these applications. We apply the classification and its applications to experimental data to demonstrate the potential of this approach to obtain further insights into the dynamics of cell membrane proteins. PMID:25099798

Target switching in curved human arm movements is predicted by changing a single control parameter.

PubMed

Hoffmann, Heiko

2011-01-01

Straight-line movements have been studied extensively in the human motor-control literature, but little is known about how to generate curved movements and how to adjust them in a dynamic environment. The present work studied, for the first time to my knowledge, how humans adjust curved hand movements to a target that switches location. Subjects (n = 8) sat in front of a drawing tablet and looked at a screen. They moved a cursor on a curved trajectory (spiral or oval shaped) toward a goal point. In half of the trials, this goal switched 200 ms after movement onset to either one of two alternative positions, and subjects smoothly adjusted their movements to the new goal. To explain this adjustment, we compared three computational models: a superposition of curved and minimum-jerk movements (Flash and Henis in J Cogn Neurosci 3(3):220-230, 1991), Vector Planning (Gordon et al. in Exp Brain Res 99(1):97-111, 1994) adapted to curved movements (Rescale), and a nonlinear dynamical system, which could generate arbitrarily curved smooth movements and had a point attractor at the goal. For each model, we predicted the trajectory adjustment to the target switch by changing only the goal position in the model. As result, the dynamical model could explain the observed switch behavior significantly better than the two alternative models (spiral: P = 0.0002 vs. Flash, P = 0.002 vs. Rescale; oval: P = 0.04 vs. Flash; P values obtained from Wilcoxon test on R (2) values). We conclude that generalizing arbitrary hand trajectories to new targets may be explained by switching a single control command, without the need to re-plan or re-optimize the whole movement or superimpose movements.

Local dynamics in decision making: The evolution of preference within and across decisions

NASA Astrophysics Data System (ADS)

O'Hora, Denis; Dale, Rick; Piiroinen, Petri T.; Connolly, Fionnuala

2013-07-01

Within decisions, perceived alternatives compete until one is preferred. Across decisions, the playing field on which these alternatives compete evolves to favor certain alternatives. Mouse cursor trajectories provide rich continuous information related to such cognitive processes during decision making. In three experiments, participants learned to choose symbols to earn points in a discrimination learning paradigm and the cursor trajectories of their responses were recorded. Decisions between two choices that earned equally high-point rewards exhibited far less competition than decisions between choices that earned equally low-point rewards. Using positional coordinates in the trajectories, it was possible to infer a potential field in which the choice locations occupied areas of minimal potential. These decision spaces evolved through the experiments, as participants learned which options to choose. This visualisation approach provides a potential framework for the analysis of local dynamics in decision-making that could help mitigate both theoretical disputes and disparate empirical results.

The representational dynamics of remembered projectile locations.

PubMed

De Sá Teixeira, Nuno Alexandre; Hecht, Heiko; Oliveira, Armando Mónica

2013-12-01

When people are instructed to locate the vanishing location of a moving target, systematic errors forward in the direction of motion (M-displacement) and downward in the direction of gravity (O-displacement) are found. These phenomena came to be linked with the notion that physical invariants are embedded in the dynamic representations generated by the perceptual system. We explore the nature of these invariants that determine the representational mechanics of projectiles. By manipulating the retention intervals between the target's disappearance and the participant's responses, while measuring both M- and O-displacements, we were able to uncover a representational analogue of the trajectory of a projectile. The outcomes of three experiments revealed that the shape of this trajectory is discontinuous. Although the horizontal component of such trajectory can be accounted for by perceptual and oculomotor factors, its vertical component cannot. Taken together, the outcomes support an internalization of gravity in the visual representation of projectiles.

The emergence of learning-teaching trajectories in education: a complex dynamic systems approach.

PubMed

Steenbeek, Henderien; van Geert, Paul

2013-04-01

In this article we shall focus on learning-teaching trajectories ='successful' as well as 'unsuccessful' ones - as emergent and dynamic phenomena resulting from the interactions in the entire educational context, in particular the interaction between students and teachers viewed as processes of intertwining self-, other- and co-regulation. The article provides a review of the educational research literature on action regulation in learning and teaching, and interprets this literature in light of the theory of complex dynamic systems. Based on this reinterpretation of the literature, two dynamic models are proposed, one focusing on the short-term dynamics of learning-teaching interactions as they take place in classrooms, the other focusing on the long-term dynamics of interactions in a network of variables encompassing concerns, evaluations, actions and action effects (such as learning) students and teachers. The aim of presenting these models is to demonstrate, first, the possibility of transforming existing educational theory into dynamic models and, second, to provide some suggestions as to how such models can be used to further educational theory and practice.

Milestoning with coarse memory

NASA Astrophysics Data System (ADS)

Hawk, Alexander T.

2013-04-01

Milestoning is a method used to calculate the kinetics of molecular processes occurring on timescales inaccessible to traditional molecular dynamics (MD) simulations. In the method, the phase space of the system is partitioned by milestones (hypersurfaces), trajectories are initialized on each milestone, and short MD simulations are performed to calculate transitions between neighboring milestones. Long trajectories of the system are then reconstructed with a semi-Markov process from the observed statistics of transition. The procedure is typically justified by the assumption that trajectories lose memory between crossing successive milestones. Here we present Milestoning with Coarse Memory (MCM), a generalization of Milestoning that relaxes the memory loss assumption of conventional Milestoning. In the method, milestones are defined and sample transitions are calculated in the standard Milestoning way. Then, after it is clear where trajectories sample milestones, the milestones are broken up into distinct neighborhoods (clusters), and each sample transition is associated with two clusters: the cluster containing the coordinates the trajectory was initialized in, and the cluster (on the terminal milestone) containing trajectory's final coordinates. Long trajectories of the system are then reconstructed with a semi-Markov process in an extended state space built from milestone and cluster indices. To test the method, we apply it to a process that is particularly ill suited for Milestoning: the dynamics of a polymer confined to a narrow cylinder. We show that Milestoning calculations of both the mean first passage time and the mean transit time of reversal—which occurs when the end-to-end vector reverses direction—are significantly improved when MCM is applied. Finally, we note the overhead of performing MCM on top of conventional Milestoning is negligible.

The Lunar IceCube Mission Design: Construction of Feasible Transfer Trajectories with a Constrained Departure

NASA Technical Reports Server (NTRS)

Folta, David C.; Bosanac, Natasha; Cox, Andrew; Howell, Kathleen C.

2016-01-01

Lunar IceCube, a 6U CubeSat, will prospect for water and other volatiles from a low-periapsis, highly inclined elliptical lunar orbit. Injected from Exploration Mission-1, a lunar gravity assisted multi-body transfer trajectory will capture into a lunar science orbit. The constrained departure asymptote and value of trans-lunar energy limit transfer trajectory types that re-encounter the Moon with the necessary energy and flight duration. Purdue University and Goddard Space Flight Center's Adaptive Trajectory Design tool and dynamical system research is applied to uncover cislunar spatial regions permitting viable transfer arcs. Numerically integrated transfer designs applying low-thrust and a design framework are described.

Trajectory Generation and Path Planning for Autonomous Aerobots

NASA Technical Reports Server (NTRS)

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

2007-01-01

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

Numerical analysis for trajectory controllability of a coupled multi-order fractional delay differential system via the shifted Jacobi method

NASA Astrophysics Data System (ADS)

Priya, B. Ganesh; Muthukumar, P.

2018-02-01

This paper deals with the trajectory controllability for a class of multi-order fractional linear systems subject to a constant delay in state vector. The solution for the coupled fractional delay differential equation is established by the Mittag-Leffler function. The necessary and sufficient condition for the trajectory controllability is formulated and proved by the generalized Gronwall's inequality. The approximate trajectory for the proposed system is obtained through the shifted Jacobi operational matrix method. The numerical simulation of the approximate solution shows the theoretical results. Finally, some remarks and comments on the existing results of constrained controllability for the fractional dynamical system are also presented.

Pteros: fast and easy to use open-source C++ library for molecular analysis.

PubMed

Yesylevskyy, Semen O

2012-07-15

An open-source Pteros library for molecular modeling and analysis of molecular dynamics trajectories for C++ programming language is introduced. Pteros provides a number of routine analysis operations ranging from reading and writing trajectory files and geometry transformations to structural alignment and computation of nonbonded interaction energies. The library features asynchronous trajectory reading and parallel execution of several analysis routines, which greatly simplifies development of computationally intensive trajectory analysis algorithms. Pteros programming interface is very simple and intuitive while the source code is well documented and easily extendible. Pteros is available for free under open-source Artistic License from http://sourceforge.net/projects/pteros/. Copyright © 2012 Wiley Periodicals, Inc.

Mobile phone tracking: in support of modelling traffic-related air pollution contribution to individual exposure and its implications for public health impact assessment.

PubMed

Liu, Hai-Ying; Skjetne, Erik; Kobernus, Mike

2013-11-04

We propose a new approach to assess the impact of traffic-related air pollution on public health by mapping personal trajectories using mobile phone tracking technology in an urban environment. Although this approach is not based on any empirical studies, we believe that this method has great potential and deserves serious attention. Mobile phone tracking technology makes it feasible to generate millions of personal trajectories and thereby cover a large fraction of an urban population. Through analysis, personal trajectories are not only associated to persons, but it can also be associated with vehicles, vehicle type, vehicle speed, vehicle emission rates, and sources of vehicle emissions. Pollution levels can be estimated by dispersion models from calculated traffic emissions. Traffic pollution exposure to individuals can be estimated based on the exposure along the individual human trajectories in the estimated pollution concentration fields by utilizing modelling tools. By data integration, one may identify trajectory patterns of particularly exposed human groups. The approach of personal trajectories may open a new paradigm in understanding urban dynamics and new perspectives in population-wide empirical public health research. This new approach can be further applied to individual commuter route planning, land use planning, urban traffic network planning, and used by authorities to formulate air pollution mitigation policies and regulations.

Air-breathing hypersonic vehicle guidance and control studies; An integrated trajectory/control analysis methodology: Phase 1

NASA Technical Reports Server (NTRS)

Hattis, Philip D.; Malchow, Harvey L.

1991-01-01

A tool which generates optimal trajectory/control histories in an integrated manner is generically adapted to the treatment of single-stage-to-orbit air-breathing hypersonic vehicles. The methodology is implemented as a two point boundary value problem solution technique. Its use permits an assessment of an entire near-minimum-fuel trajectory and desired control strategy from takeoff to orbit while satisfying physically derived inequality constraints and while achieving efficient propulsive mode phasing. A simpler analysis strategy that partitions the trajectory into several boundary condition matched segments is also included to construct preliminary trajectory and control history representations with less computational burden than is required for the overall flight profile assessment. A demonstration was accomplished using a tabulated example (winged-cone accelerator) vehicle model that is combined with a newly developed multidimensional cubic spline data smoothing routine. A constrained near-fuel-optimal trajectory, imposing a dynamic pressure limit of 1000 psf, was developed from horizontal takeoff to 20,000 ft/sec relative air speed while aiming for a polar orbit. Previously unspecified propulsive discontinuities were located. Flight regimes demanding rapid attitude changes were identified, dictating control effector and closed-loop controller authority was ascertained after evaluating effector use for vehicle trim. Also, inadequacies in vehicle model representations and specific subsystem models with insufficient fidelity were determined based on unusual control characteristics and/or excessive sensitivity to uncertainty.

Mobile phone tracking: in support of modelling traffic-related air pollution contribution to individual exposure and its implications for public health impact assessment

PubMed Central

2013-01-01

We propose a new approach to assess the impact of traffic-related air pollution on public health by mapping personal trajectories using mobile phone tracking technology in an urban environment. Although this approach is not based on any empirical studies, we believe that this method has great potential and deserves serious attention. Mobile phone tracking technology makes it feasible to generate millions of personal trajectories and thereby cover a large fraction of an urban population. Through analysis, personal trajectories are not only associated to persons, but it can also be associated with vehicles, vehicle type, vehicle speed, vehicle emission rates, and sources of vehicle emissions. Pollution levels can be estimated by dispersion models from calculated traffic emissions. Traffic pollution exposure to individuals can be estimated based on the exposure along the individual human trajectories in the estimated pollution concentration fields by utilizing modelling tools. By data integration, one may identify trajectory patterns of particularly exposed human groups. The approach of personal trajectories may open a new paradigm in understanding urban dynamics and new perspectives in population-wide empirical public health research. This new approach can be further applied to individual commuter route planning, land use planning, urban traffic network planning, and used by authorities to formulate air pollution mitigation policies and regulations. PMID:24188173

Dynamics and control of robot for capturing objects in space

NASA Astrophysics Data System (ADS)

Huang, Panfeng

Space robots are expected to perform intricate tasks in future space services, such as satellite maintenance, refueling, and replacing the orbital replacement unit (ORU). To realize these missions, the capturing operation may not be avoided. Such operations will encounter some challenges because space robots have some unique characteristics unfound on ground-based robots, such as, dynamic singularities, dynamic coupling between manipulator and space base, limited energy supply and working without a fixed base, and so on. In addition, since contacts and impacts may not be avoided during capturing operation. Therefore, dynamics and control problems of space robot for capturing objects are significant research topics if the robots are to be deployed for the space services. A typical servicing operation mainly includes three phases: capturing the object, berthing and docking the object, then repairing the target. Therefore, this thesis will focus on resolving some challenging problems during capturing the object, berthing and docking, and so on. In this thesis, I study and analyze the dynamics and control problems of space robot for capturing objects. This work has potential impact in space robotic applications. I first study the contact and impact dynamics of space robot and objects. I specifically focus on analyzing the impact dynamics and mapping the relationship of influence and speed. Then, I develop the fundamental theory for planning the minimum-collision based trajectory of space robot and designing the configuration of space robot at the moment of capture. To compensate for the attitude of the space base during the capturing approach operation, a new balance control concept which can effectively balance the attitude of the space base using the dynamic couplings is developed. The developed balance control concept helps to understand of the nature of space dynamic coupling, and can be readily applied to compensate or minimize the disturbance to the space base. After capturing the object, the space robot must complete the following two tasks: one is to berth the object, and the other is to re-orientate the attitude of the whole robot system for communication and power supply. Therefore, I propose a method to accomplish these two tasks simultaneously using manipulator motion only. The ultimate goal of space services is to realize the capture and manipulation autonomously. Therefore, I propose an affective approach based on learning human skill to track and capture the objects automatically in space. With human-teaching demonstration, the space robot is able to learn and abstract human tracking and capturing skill using an efficient neural-network learning architecture that combines flexible Cascade Neural Networks with Node Decoupled Extended Kalman Filtering (CNN-NDEKF). The simulation results attest that this approach is useful and feasible in tracking trajectory planning and capturing of space robot. Finally I propose a novel approach based on Genetic Algorithms (GAs) to optimize the approach trajectory of space robots in order to realize effective and stable operations. I complete the minimum-torque path planning in order to save the limited energy in space, and design the minimum jerk trajectory for the stabilization of the space manipulator and its space base. These optimal algorithms are very important and useful for the application of space robot.

The symbolic computation and automatic analysis of trajectories

NASA Technical Reports Server (NTRS)

Grossman, Robert

1991-01-01

Research was generally done on computation of trajectories of dynamical systems, especially control systems. Algorithms were further developed for rewriting expressions involving differential operators. The differential operators involved arise in the local analysis of nonlinear control systems. An initial design was completed of the system architecture for software to analyze nonlinear control systems using data base computing.

Exploring How Gender Figures the Identity Trajectories of Two Doctoral Students in Observational Astrophysics

ERIC Educational Resources Information Center

Gonsalves, Allison J.

2018-01-01

[This paper is part of the Focused Collection on Astronomy Education Research.] This paper presents the cases of two doctoral students in observational astrophysics whose circumstances and experiences led them on a career trajectory out of academic research. In this article, I employ a sociocultural lens that provides insight into the dynamics of…

Investigating English Language Teacher Identity Trajectories at Mid-Career

ERIC Educational Resources Information Center

Martin, David Ray

2017-01-01

One of the biggest concerns educational institutions face is helping teachers fit into and adjust to the dynamics of the ever-changing teaching environment. What often remains a mystery is how the identity trajectories of mid-career teachers have contributed to their longevity in the field. Also important today is why teachers might choose to…

Young Infants' Perception of the Trajectories of Two- and Three-Dimensional Objects

ERIC Educational Resources Information Center

Johnson, Scott P.; Bremner, J. Gavin; Slater, Alan M.; Shuwairi, Sarah M.; Mason, Uschi; Spring, Jo; Usherwood, Barrie

2012-01-01

We investigated oculomotor anticipations in 4-month-old infants as they viewed center-occluded object trajectories. In two experiments, we examined performance in two-dimensional (2D) and three-dimensional (3D) dynamic occlusion displays and in an additional 3D condition with a smiley face as the moving target stimulus. Rates of anticipatory eye…

MADS Users' Guide

NASA Technical Reports Server (NTRS)

Moerder, Daniel D.

2014-01-01

MADS (Minimization Assistant for Dynamical Systems) is a trajectory optimization code in which a user-specified performance measure is directly minimized, subject to constraints placed on a low-order discretization of user-supplied plant ordinary differential equations. This document describes the mathematical formulation of the set of trajectory optimization problems for which MADS is suitable, and describes the user interface. Usage examples are provided.

The Importance of Dynamic Systems Approaches for Understanding Development

ERIC Educational Resources Information Center

Howe, Mark L.; Lewis, Marc D.

2005-01-01

We outline the nature of dynamic systems, both linear and nonlinear, and we review dynamic systems principles that apply well to various aspects of human development, including the emergence of new forms, phases of stability and instability, continuous and discontinuous change, and differentiation among individual trajectories. We then document…

Estimation of Foot Plantar Center of Pressure Trajectories with Low-Cost Instrumented Insoles Using an Individual-Specific Nonlinear Model.

PubMed

Hu, Xinyao; Zhao, Jun; Peng, Dongsheng; Sun, Zhenglong; Qu, Xingda

2018-02-01

Postural control is a complex skill based on the interaction of dynamic sensorimotor processes, and can be challenging for people with deficits in sensory functions. The foot plantar center of pressure (COP) has often been used for quantitative assessment of postural control. Previously, the foot plantar COP was mainly measured by force plates or complicated and expensive insole-based measurement systems. Although some low-cost instrumented insoles have been developed, their ability to accurately estimate the foot plantar COP trajectory was not robust. In this study, a novel individual-specific nonlinear model was proposed to estimate the foot plantar COP trajectories with an instrumented insole based on low-cost force sensitive resistors (FSRs). The model coefficients were determined by a least square error approximation algorithm. Model validation was carried out by comparing the estimated COP data with the reference data in a variety of postural control assessment tasks. We also compared our data with the COP trajectories estimated by the previously well accepted weighted mean approach. Comparing with the reference measurements, the average root mean square errors of the COP trajectories of both feet were 2.23 mm (±0.64) (left foot) and 2.72 mm (±0.83) (right foot) along the medial-lateral direction, and 9.17 mm (±1.98) (left foot) and 11.19 mm (±2.98) (right foot) along the anterior-posterior direction. The results are superior to those reported in previous relevant studies, and demonstrate that our proposed approach can be used for accurate foot plantar COP trajectory estimation. This study could provide an inexpensive solution to fall risk assessment in home settings or community healthcare center for the elderly. It has the potential to help prevent future falls in the elderly.

Estimation of Foot Plantar Center of Pressure Trajectories with Low-Cost Instrumented Insoles Using an Individual-Specific Nonlinear Model

PubMed Central

Hu, Xinyao; Zhao, Jun; Peng, Dongsheng

2018-01-01

Postural control is a complex skill based on the interaction of dynamic sensorimotor processes, and can be challenging for people with deficits in sensory functions. The foot plantar center of pressure (COP) has often been used for quantitative assessment of postural control. Previously, the foot plantar COP was mainly measured by force plates or complicated and expensive insole-based measurement systems. Although some low-cost instrumented insoles have been developed, their ability to accurately estimate the foot plantar COP trajectory was not robust. In this study, a novel individual-specific nonlinear model was proposed to estimate the foot plantar COP trajectories with an instrumented insole based on low-cost force sensitive resistors (FSRs). The model coefficients were determined by a least square error approximation algorithm. Model validation was carried out by comparing the estimated COP data with the reference data in a variety of postural control assessment tasks. We also compared our data with the COP trajectories estimated by the previously well accepted weighted mean approach. Comparing with the reference measurements, the average root mean square errors of the COP trajectories of both feet were 2.23 mm (±0.64) (left foot) and 2.72 mm (±0.83) (right foot) along the medial–lateral direction, and 9.17 mm (±1.98) (left foot) and 11.19 mm (±2.98) (right foot) along the anterior–posterior direction. The results are superior to those reported in previous relevant studies, and demonstrate that our proposed approach can be used for accurate foot plantar COP trajectory estimation. This study could provide an inexpensive solution to fall risk assessment in home settings or community healthcare center for the elderly. It has the potential to help prevent future falls in the elderly. PMID:29389857

A Smoothed Eclipse Model for Solar Electric Propulsion Trajectory Optimization

NASA Technical Reports Server (NTRS)

Aziz, Jonathan D.; Scheeres, Daniel J.; Parker, Jeffrey S.; Englander, Jacob A.

2017-01-01

Solar electric propulsion (SEP) is the dominant design option for employing low-thrust propulsion on a space mission. Spacecraft solar arrays power the SEP system but are subject to blackout periods during solar eclipse conditions. Discontinuity in power available to the spacecraft must be accounted for in trajectory optimization, but gradient-based methods require a differentiable power model. This work presents a power model that smooths the eclipse transition from total eclipse to total sunlight with a logistic function. Example trajectories are computed with differential dynamic programming, a second-order gradient-based method.

Evaluation of some significant issues affecting trajectory and control management for air-breathing hypersonic vehicles

NASA Technical Reports Server (NTRS)

Hattis, Philip D.; Malchow, Harvey L.

1992-01-01

Horizontal takeoff airbreathing-propulsion launch vehicles require near-optimal guidance and control which takes into account performance sensitivities to atmospheric characteristics while satisfying physically-derived operational constraints. A generic trajectory/control analysis tool that deepens insight into these considerations has been applied to two versions of a winged-cone vehicle model. Information that is critical to the design and trajectory of these vehicles is derived, and several unusual characteristics of the airbreathing propulsion model are shown to have potentially substantial effects on vehicle dynamics.

Radiation characteristics and implosion dynamics of Z-pinch dynamic hohlraums performed on PTS facility

NASA Astrophysics Data System (ADS)

Huang, Xian Bin; Ren, Xiao Dong; Dan, Jia Kun; Wang, Kun Lun; Xu, Qiang; Zhou, Shao Tong; Zhang, Si Qun; Cai, Hong Chun; Li, Jing; Wei, Bing; Ji, Ce; Feng, Shu Ping; Wang, Meng; Xie, Wei Ping; Deng, Jian Jun

2017-09-01

The preliminary experimental results of Z-pinch dynamic hohlraums conducted on the Primary Test Stand (PTS) facility are presented herein. Six different types of dynamic hohlraums were used in order to study the influence of load parameters on radiation characteristics and implosion dynamics, including dynamic hohlraums driven by single and nested arrays with different array parameters and different foams. The PTS facility can deliver a current of 6-8 MA in the peak current and 60-70 ns in the 10%-90% rising time to dynamic hohlraum loads. A set of diagnostics monitor the implosion dynamics of plasmas, the evolution of shock waves in the foam and the axial/radial X-ray radiation, giving the key parameters characterizing the features of dynamic hohlraums, such as the trajectory and related velocity of shock waves, radiation temperature, and so on. The experimental results presented here put our future study on Z-pinch dynamic hohlraums on the PTS facility on a firm basis.

Conformational and functional analysis of molecular dynamics trajectories by Self-Organising Maps

PubMed Central

2011-01-01

Background Molecular dynamics (MD) simulations are powerful tools to investigate the conformational dynamics of proteins that is often a critical element of their function. Identification of functionally relevant conformations is generally done clustering the large ensemble of structures that are generated. Recently, Self-Organising Maps (SOMs) were reported performing more accurately and providing more consistent results than traditional clustering algorithms in various data mining problems. We present a novel strategy to analyse and compare conformational ensembles of protein domains using a two-level approach that combines SOMs and hierarchical clustering. Results The conformational dynamics of the α-spectrin SH3 protein domain and six single mutants were analysed by MD simulations. The Cα's Cartesian coordinates of conformations sampled in the essential space were used as input data vectors for SOM training, then complete linkage clustering was performed on the SOM prototype vectors. A specific protocol to optimize a SOM for structural ensembles was proposed: the optimal SOM was selected by means of a Taguchi experimental design plan applied to different data sets, and the optimal sampling rate of the MD trajectory was selected. The proposed two-level approach was applied to single trajectories of the SH3 domain independently as well as to groups of them at the same time. The results demonstrated the potential of this approach in the analysis of large ensembles of molecular structures: the possibility of producing a topological mapping of the conformational space in a simple 2D visualisation, as well as of effectively highlighting differences in the conformational dynamics directly related to biological functions. Conclusions The use of a two-level approach combining SOMs and hierarchical clustering for conformational analysis of structural ensembles of proteins was proposed. It can easily be extended to other study cases and to conformational ensembles from other sources. PMID:21569575

Rich stochastic dynamics of co-doped Er:Yb fluorescence upconversion nanoparticles in the presence of thermal, non-conservative, harmonic and optical forces

NASA Astrophysics Data System (ADS)

Nome, Rene A.; Sorbello, Cecilia; Jobbágy, Matías; Barja, Beatriz C.; Sanches, Vitor; Cruz, Joyce S.; Aguiar, Vinicius F.

2017-03-01

The stochastic dynamics of individual co-doped Er:Yb upconversion nanoparticles (UCNP) were investigated from experiments and simulations. The UCNP were characterized by high-resolution scanning electron microscopy, dynamic light scattering, and zeta potential measurements. Single UCNP measurements were performed by fluorescence upconversion micro-spectroscopy and optical trapping. The mean-square displacement (MSD) from single UCNP exhibited a time-dependent diffusion coefficient which was compared with Brownian dynamics simulations of a viscoelastic model of harmonically bound spheres. Experimental time-dependent two-dimensional trajectories of individual UCNP revealed correlated two-dimensional nanoparticle motion. The measurements were compared with stochastic trajectories calculated in the presence of a non-conservative rotational force field. Overall, the complex interplay of UCNP adhesion, thermal fluctuations and optical forces led to a rich stochastic behavior of these nanoparticles.

Accurately tracking single-cell movement trajectories in microfluidic cell sorting devices.

PubMed

Jeong, Jenny; Frohberg, Nicholas J; Zhou, Enlu; Sulchek, Todd; Qiu, Peng

2018-01-01

Microfluidics are routinely used to study cellular properties, including the efficient quantification of single-cell biomechanics and label-free cell sorting based on the biomechanical properties, such as elasticity, viscosity, stiffness, and adhesion. Both quantification and sorting applications require optimal design of the microfluidic devices and mathematical modeling of the interactions between cells, fluid, and the channel of the device. As a first step toward building such a mathematical model, we collected video recordings of cells moving through a ridged microfluidic channel designed to compress and redirect cells according to cell biomechanics. We developed an efficient algorithm that automatically and accurately tracked the cell trajectories in the recordings. We tested the algorithm on recordings of cells with different stiffness, and showed the correlation between cell stiffness and the tracked trajectories. Moreover, the tracking algorithm successfully picked up subtle differences of cell motion when passing through consecutive ridges. The algorithm for accurately tracking cell trajectories paves the way for future efforts of modeling the flow, forces, and dynamics of cell properties in microfluidics applications.

Saccades to future ball location reveal memory-based prediction in a virtual-reality interception task.

PubMed

Diaz, Gabriel; Cooper, Joseph; Rothkopf, Constantin; Hayhoe, Mary

2013-01-16

Despite general agreement that prediction is a central aspect of perception, there is relatively little evidence concerning the basis on which visual predictions are made. Although both saccadic and pursuit eye-movements reveal knowledge of the future position of a moving visual target, in many of these studies targets move along simple trajectories through a fronto-parallel plane. Here, using a naturalistic and racquet-based interception task in a virtual environment, we demonstrate that subjects make accurate predictions of visual target motion, even when targets follow trajectories determined by the complex dynamics of physical interactions and the head and body are unrestrained. Furthermore, we found that, following a change in ball elasticity, subjects were able to accurately adjust their prebounce predictions of the ball's post-bounce trajectory. This suggests that prediction is guided by experience-based models of how information in the visual image will change over time.

Finite-time and finite-size scalings in the evaluation of large-deviation functions: Numerical approach in continuous time.

PubMed

Guevara Hidalgo, Esteban; Nemoto, Takahiro; Lecomte, Vivien

2017-06-01

Rare trajectories of stochastic systems are important to understand because of their potential impact. However, their properties are by definition difficult to sample directly. Population dynamics provides a numerical tool allowing their study, by means of simulating a large number of copies of the system, which are subjected to selection rules that favor the rare trajectories of interest. Such algorithms are plagued by finite simulation time and finite population size, effects that can render their use delicate. In this paper, we present a numerical approach which uses the finite-time and finite-size scalings of estimators of the large deviation functions associated to the distribution of rare trajectories. The method we propose allows one to extract the infinite-time and infinite-size limit of these estimators, which-as shown on the contact process-provides a significant improvement of the large deviation function estimators compared to the standard one.

Saccades to future ball location reveal memory-based prediction in a virtual-reality interception task

PubMed Central

Diaz, Gabriel; Cooper, Joseph; Rothkopf, Constantin; Hayhoe, Mary

2013-01-01

Despite general agreement that prediction is a central aspect of perception, there is relatively little evidence concerning the basis on which visual predictions are made. Although both saccadic and pursuit eye-movements reveal knowledge of the future position of a moving visual target, in many of these studies targets move along simple trajectories through a fronto-parallel plane. Here, using a naturalistic and racquet-based interception task in a virtual environment, we demonstrate that subjects make accurate predictions of visual target motion, even when targets follow trajectories determined by the complex dynamics of physical interactions and the head and body are unrestrained. Furthermore, we found that, following a change in ball elasticity, subjects were able to accurately adjust their prebounce predictions of the ball's post-bounce trajectory. This suggests that prediction is guided by experience-based models of how information in the visual image will change over time. PMID:23325347

Under-sampling trajectory design for compressed sensing based DCE-MRI.

PubMed

Liu, Duan-duan; Liang, Dong; Zhang, Na; Liu, Xin; Zhang, Yuan-ting

2013-01-01

Dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) needs high temporal and spatial resolution to accurately estimate quantitative parameters and characterize tumor vasculature. Compressed Sensing (CS) has the potential to accomplish this mutual importance. However, the randomness in CS under-sampling trajectory designed using the traditional variable density (VD) scheme may translate to uncertainty in kinetic parameter estimation when high reduction factors are used. Therefore, accurate parameter estimation using VD scheme usually needs multiple adjustments on parameters of Probability Density Function (PDF), and multiple reconstructions even with fixed PDF, which is inapplicable for DCE-MRI. In this paper, an under-sampling trajectory design which is robust to the change on PDF parameters and randomness with fixed PDF is studied. The strategy is to adaptively segment k-space into low-and high frequency domain, and only apply VD scheme in high-frequency domain. Simulation results demonstrate high accuracy and robustness comparing to VD design.

A structural and theoretical study of the alkylammonium nitrates forefather: Liquid methylammonium nitrate

NASA Astrophysics Data System (ADS)

Gontrani, Lorenzo; Caminiti, Ruggero; Salma, Umme; Campetella, Marco

2017-09-01

We present here a structural and vibrational analysis of melted methylammonium nitrate, the simplest compound of the family of alkylammonium nitrates. The static and dynamical features calculated were endorsed by comparing the experimental X-ray data with the theoretical ones. A reliable description cannot be obtained with classical molecular dynamics owing to polarization effects. Contrariwise, the structure factor and the vibrational frequencies obtained from ab initio molecular dynamics trajectories are in very good agreement with the experiment. A careful analysis has provided additional information on the complex hydrogen bonding network that exists in this liquid.

Guidance, steering, load relief and control of an asymmetric launch vehicle. M.S. Thesis - MIT

NASA Technical Reports Server (NTRS)

Boelitz, Frederick W.

1989-01-01

A new guidance, steering, and control concept is described and evaluated for the Third Phase of an asymmetrical configuration of the Advanced Launch System (ALS). The study also includes the consideration of trajectory shaping issues and trajectory design as well as the development of angular rate, angular acceleration, angle of attack, and dynamic pressure estimators. The Third Phase guidance, steering and control system is based on controlling the acceleration-direction of the vehicle after an initial launch maneuver. Unlike traditional concepts, the alignment of the estimated and commanded acceleration-directions is unimpaired by an add-on load relief. Instead, the acceleration-direction steering-control system features a control override that limits the product of estimated dynamic pressure and estimated angle of attack. When this product is not being limited, control is based exclusively on the commanded acceleration-direction without load relief. During limiting, control is based on nulling the error between the limited angle of attack and the estimated angle of attack. This limiting feature provides full freedom to the acceleration-direction steering and control to shape the trajectory within the limit, and also gives full priority to the limiting of angle of attack when necessary. The flight software concepts were analyzed on the basis of their effects on pitch plane motion.

Conformational flexibility of two RNA trimers explored by computational tools and database search.

PubMed

Fadrná, Eva; Koca, Jaroslav

2003-04-01

Two RNA sequences, AAA and AUG, were studied by the conformational search program CICADA and by molecular dynamics (MD) in the framework of the AMBER force field, and also via thorough PDB database search. CICADA was used to provide detailed information about conformers and conformational interconversions on the energy surfaces of the above molecules. Several conformational families were found for both sequences. Analysis of the results shows differences, especially between the energy of the single families, and also in flexibility and concerted conformational movement. Therefore, several MD trajectories (altogether 16 ns) were run to obtain more details about both the stability of conformers belonging to different conformational families and about the dynamics of the two systems. Results show that the trajectories strongly depend on the starting structure. When the MD start from the global minimum found by CICADA, they provide a stable run, while MD starting from another conformational family generates a trajectory where several different conformational families are visited. The results obtained by theoretical methods are compared with the thorough database search data. It is concluded that all except for the highest energy conformational families found in theoretical result also appear in experimental data. Registry numbers: adenylyl-(3' --> 5')-adenylyl-(3' --> 5')-adenosine [917-44-2] adenylyl-(3' --> 5')-uridylyl-(3' --> 5')-guanosine [3494-35-7].

Bloodstain Pattern Analysis: implementation of a fluid dynamic model for position determination of victims

PubMed Central

Laan, Nick; de Bruin, Karla G.; Slenter, Denise; Wilhelm, Julie; Jermy, Mark; Bonn, Daniel

2015-01-01

Bloodstain Pattern Analysis is a forensic discipline in which, among others, the position of victims can be determined at crime scenes on which blood has been shed. To determine where the blood source was investigators use a straight-line approximation for the trajectory, ignoring effects of gravity and drag and thus overestimating the height of the source. We determined how accurately the location of the origin can be estimated when including gravity and drag into the trajectory reconstruction. We created eight bloodstain patterns at one meter distance from the wall. The origin’s location was determined for each pattern with: the straight-line approximation, our method including gravity, and our method including both gravity and drag. The latter two methods require the volume and impact velocity of each bloodstain, which we are able to determine with a 3D scanner and advanced fluid dynamics, respectively. We conclude that by including gravity and drag in the trajectory calculation, the origin’s location can be determined roughly four times more accurately than with the straight-line approximation. Our study enables investigators to determine if the victim was sitting or standing, or it might be possible to connect wounds on the body to specific patterns, which is important for crime scene reconstruction. PMID:26099070

Bloodstain Pattern Analysis: implementation of a fluid dynamic model for position determination of victims.

PubMed

Laan, Nick; de Bruin, Karla G; Slenter, Denise; Wilhelm, Julie; Jermy, Mark; Bonn, Daniel

2015-06-22

Bloodstain Pattern Analysis is a forensic discipline in which, among others, the position of victims can be determined at crime scenes on which blood has been shed. To determine where the blood source was investigators use a straight-line approximation for the trajectory, ignoring effects of gravity and drag and thus overestimating the height of the source. We determined how accurately the location of the origin can be estimated when including gravity and drag into the trajectory reconstruction. We created eight bloodstain patterns at one meter distance from the wall. The origin's location was determined for each pattern with: the straight-line approximation, our method including gravity, and our method including both gravity and drag. The latter two methods require the volume and impact velocity of each bloodstain, which we are able to determine with a 3D scanner and advanced fluid dynamics, respectively. We conclude that by including gravity and drag in the trajectory calculation, the origin's location can be determined roughly four times more accurately than with the straight-line approximation. Our study enables investigators to determine if the victim was sitting or standing, or it might be possible to connect wounds on the body to specific patterns, which is important for crime scene reconstruction.

Estimating Jupiter’s Gravity Field Using Juno Measurements, Trajectory Estimation Analysis, and a Flow Model Optimization

NASA Astrophysics Data System (ADS)

Galanti, Eli; Durante, Daniele; Finocchiaro, Stefano; Iess, Luciano; Kaspi, Yohai

2017-07-01

The upcoming Juno spacecraft measurements have the potential of improving our knowledge of Jupiter’s gravity field. The analysis of the Juno Doppler data will provide a very accurate reconstruction of spatial gravity variations, but these measurements will be very accurate only over a limited latitudinal range. In order to deduce the full gravity field of Jupiter, additional information needs to be incorporated into the analysis, especially regarding the Jovian flow structure and its depth, which can influence the measured gravity field. In this study we propose a new iterative method for the estimation of the Jupiter gravity field, using a simulated Juno trajectory, a trajectory estimation model, and an adjoint-based inverse model for the flow dynamics. We test this method both for zonal harmonics only and with a full gravity field including tesseral harmonics. The results show that this method can fit some of the gravitational harmonics better to the “measured” harmonics, mainly because of the added information from the dynamical model, which includes the flow structure. Thus, it is suggested that the method presented here has the potential of improving the accuracy of the expected gravity harmonics estimated from the Juno and Cassini radio science experiments.

Bloodstain Pattern Analysis: implementation of a fluid dynamic model for position determination of victims

NASA Astrophysics Data System (ADS)

Laan, Nick; de Bruin, Karla G.; Slenter, Denise; Wilhelm, Julie; Jermy, Mark; Bonn, Daniel

2015-06-01

Bloodstain Pattern Analysis is a forensic discipline in which, among others, the position of victims can be determined at crime scenes on which blood has been shed. To determine where the blood source was investigators use a straight-line approximation for the trajectory, ignoring effects of gravity and drag and thus overestimating the height of the source. We determined how accurately the location of the origin can be estimated when including gravity and drag into the trajectory reconstruction. We created eight bloodstain patterns at one meter distance from the wall. The origin’s location was determined for each pattern with: the straight-line approximation, our method including gravity, and our method including both gravity and drag. The latter two methods require the volume and impact velocity of each bloodstain, which we are able to determine with a 3D scanner and advanced fluid dynamics, respectively. We conclude that by including gravity and drag in the trajectory calculation, the origin’s location can be determined roughly four times more accurately than with the straight-line approximation. Our study enables investigators to determine if the victim was sitting or standing, or it might be possible to connect wounds on the body to specific patterns, which is important for crime scene reconstruction.

Experimental characterization of collision avoidance in pedestrian dynamics

NASA Astrophysics Data System (ADS)

Parisi, Daniel R.; Negri, Pablo A.; Bruno, Luciana

2016-08-01

In the present paper, the avoidance behavior of pedestrians was characterized by controlled experiments. Several conflict situations were studied considering different flow rates and group sizes in crossing and head-on configurations. Pedestrians were recorded from above, and individual two-dimensional trajectories of their displacement were recovered after image processing. Lateral swaying amplitude and step lengths were measured for free pedestrians, obtaining similar values to the ones reported in the literature. Minimum avoidance distances were computed in two-pedestrian experiments. In the case of one pedestrian dodging an arrested one, the avoidance distance did not depend on the relative orientation of the still pedestrian with respect to the direction of motion of the first. When both pedestrians were moving, the avoidance distance in a perpendicular encounter was longer than the one obtained during a head-on approach. It was found that the mean curvature of the trajectories was linearly anticorrelated with the mean speed. Furthermore, two common avoidance maneuvers, stopping and steering, were defined from the analysis of the acceleration and curvature in single trajectories. Interestingly, it was more probable to observe steering events than stopping ones, also the probability of simultaneous steering and stopping occurrences was negligible. The results obtained in this paper can be used to validate and calibrate pedestrian dynamics models.

Estimating Jupiter’s Gravity Field Using Juno Measurements, Trajectory Estimation Analysis, and a Flow Model Optimization

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

Galanti, Eli; Kaspi, Yohai; Durante, Daniele

The upcoming Juno spacecraft measurements have the potential of improving our knowledge of Jupiter’s gravity field. The analysis of the Juno Doppler data will provide a very accurate reconstruction of spatial gravity variations, but these measurements will be very accurate only over a limited latitudinal range. In order to deduce the full gravity field of Jupiter, additional information needs to be incorporated into the analysis, especially regarding the Jovian flow structure and its depth, which can influence the measured gravity field. In this study we propose a new iterative method for the estimation of the Jupiter gravity field, using a simulatedmore » Juno trajectory, a trajectory estimation model, and an adjoint-based inverse model for the flow dynamics. We test this method both for zonal harmonics only and with a full gravity field including tesseral harmonics. The results show that this method can fit some of the gravitational harmonics better to the “measured” harmonics, mainly because of the added information from the dynamical model, which includes the flow structure. Thus, it is suggested that the method presented here has the potential of improving the accuracy of the expected gravity harmonics estimated from the Juno and Cassini radio science experiments.« less

Trajectory optimization study of a lifting body re-entry vehicle for medium to intermediate range applications

NASA Astrophysics Data System (ADS)

Rizvi, S. Tauqeer ul Islam; Linshu, He; ur Rehman, Tawfiq; Rafique, Amer Farhan

2012-11-01

A numerical optimization study of lifting body re-entry vehicles is presented for nominal as well as shallow entry conditions for Medium and Intermediate Range applications. Due to the stringent requirement of a high degree of accuracy for conventional vehicles, lifting re-entry can be used to attain the impact at the desired terminal flight path angle and speed and thus can potentially improve accuracy of the re-entry vehicle. The re-entry of a medium range and intermediate range vehicles is characterized by very high negative flight path angle and low re-entry speed as compared to a maneuverable re-entry vehicle or a common aero vehicle intended for an intercontinental range. Highly negative flight path angles at the re-entry impose high dynamic pressure as well as heat loads on the vehicle. The trajectory studies are carried out to maximize the cross range of the re-entry vehicle while imposing a maximum dynamic pressure constraint of 350 KPa with a 3 MW/m2 heat rate limit. The maximum normal acceleration and the total heat load experienced by the vehicle at the stagnation point during the maneuver have been computed for the vehicle for possible future conceptual design studies. It has been found that cross range capability of up to 35 km can be achieved with a lifting-body design within the heat rate and the dynamic pressure boundary at normal entry conditions. For shallow entry angle of -20 degree and intermediate ranges a cross range capability of up to 250 km can be attained for a lifting body design with less than 10 percent loss in overall range. The normal acceleration also remains within limits. The lifting-body results have also been compared with wing-body results at shallow entry condition. An hp-adaptive pseudo-spectral method has been used for constrained trajectory optimization.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Real-time physics-based 3D biped character animation using an inverted pendulum model.

PubMed

Tsai, Yao-Yang; Lin, Wen-Chieh; Cheng, Kuangyou B; Lee, Jehee; Lee, Tong-Yee

2010-01-01

We present a physics-based approach to generate 3D biped character animation that can react to dynamical environments in real time. Our approach utilizes an inverted pendulum model to online adjust the desired motion trajectory from the input motion capture data. This online adjustment produces a physically plausible motion trajectory adapted to dynamic environments, which is then used as the desired motion for the motion controllers to track in dynamics simulation. Rather than using Proportional-Derivative controllers whose parameters usually cannot be easily set, our motion tracking adopts a velocity-driven method which computes joint torques based on the desired joint angular velocities. Physically correct full-body motion of the 3D character is computed in dynamics simulation using the computed torques and dynamical model of the character. Our experiments demonstrate that tracking motion capture data with real-time response animation can be achieved easily. In addition, physically plausible motion style editing, automatic motion transition, and motion adaptation to different limb sizes can also be generated without difficulty.

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

PubMed

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

2018-01-07

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

GNSS Signal Tracking Performance Improvement for Highly Dynamic Receivers by Gyroscopic Mounting Crystal Oscillator

PubMed Central

Abedi, Maryam; Jin, Tian; Sun, Kewen

2015-01-01

In this paper, the efficiency of the gyroscopic mounting method is studied for a highly dynamic GNSS receiver’s reference oscillator for reducing signal loss. Analyses are performed separately in two phases, atmospheric and upper atmospheric flights. Results show that the proposed mounting reduces signal loss, especially in parts of the trajectory where its probability is the highest. This reduction effect appears especially for crystal oscillators with a low elevation angle g-sensitivity vector. The gyroscopic mounting influences frequency deviation or jitter caused by dynamic loads on replica carrier and affects the frequency locked loop (FLL) as the dominant tracking loop in highly dynamic GNSS receivers. In terms of steady-state load, the proposed mounting mostly reduces the frequency deviation below the one-sigma threshold of FLL (1σFLL). The mounting method can also reduce the frequency jitter caused by sinusoidal vibrations and reduces the probability of signal loss in parts of the trajectory where the other error sources accompany this vibration load. In the case of random vibration, which is the main disturbance source of FLL, gyroscopic mounting is even able to suppress the disturbances greater than the three-sigma threshold of FLL (3σFLL). In this way, signal tracking performance can be improved by the gyroscopic mounting method for highly dynamic GNSS receivers. PMID:26404286

EDIN design study alternate space shuttle booster replacement concepts. Volume 2: Design simulation results

NASA Technical Reports Server (NTRS)

Demakes, P. T.; Hirsch, G. N.; Stewart, W. A.; Glatt, C. R.

1976-01-01

Historical weight estimating relationships were developed for the liquid rocket booster (LRB) using Saturn technology, and modified as required to support the EDIN05 study. Mission performance was computed using February 1975 shuttle configuration groundrules to allow reasonable comparison of the existing shuttle with the EDIN05 designs. The launch trajectory was constrained to pass through both the RTLS/AOA and main engine cut-off points. Performance analysis was based on a point design trajectory model which optimized initial tilt rate and exo-atmospheric pitch profile. A gravity turn was employed during the boost phase in place of the shuttle angle-of-attack profile. Engine throttling add/or shutdown was used to constrain dynamic pressure and/or longitudinal acceleration where necessary.

Optimization of the launcher ascent trajectory leading to the global optimum without any initialization: the breakthrough of the Hamilton-Jacobi-Bellman approach

NASA Astrophysics Data System (ADS)

Bourgeois, E.; Bokanowski, O.; Zidani, H.; Désilles, A.

2018-06-01

The resolution of the launcher ascent trajectory problem by the so-called Hamilton-Jacobi-Bellman (HJB) approach, relying on the Dynamic Programming Principle, has been investigated. The method gives a global optimum and does not need any initialization procedure. Despite these advantages, this approach is seldom used because of the dicculties of computing the solution of the HJB equation for high dimension problems. The present study shows that an eccient resolution is found. An illustration of the method is proposed on a heavy class launcher, for a typical GEO (Geostationary Earth Orbit) mission. This study has been performed in the frame of the Centre National d'Etudes Spatiales (CNES) Launchers Research & Technology Program.