Separation of left and right lungs using 3D information of sequential CT images and a guided dynamic programming algorithm

PubMed Central

Park, Sang Cheol; Leader, Joseph Ken; Tan, Jun; Lee, Guee Sang; Kim, Soo Hyung; Na, In Seop; Zheng, Bin

2011-01-01

Objective this article presents a new computerized scheme that aims to accurately and robustly separate left and right lungs on CT examinations. Methods we developed and tested a method to separate the left and right lungs using sequential CT information and a guided dynamic programming algorithm using adaptively and automatically selected start point and end point with especially severe and multiple connections. Results the scheme successfully identified and separated all 827 connections on the total 4034 CT images in an independent testing dataset of CT examinations. The proposed scheme separated multiple connections regardless of their locations, and the guided dynamic programming algorithm reduced the computation time to approximately 4.6% in comparison with the traditional dynamic programming and avoided the permeation of the separation boundary into normal lung tissue. Conclusions The proposed method is able to robustly and accurately disconnect all connections between left and right lungs and the guided dynamic programming algorithm is able to remove redundant processing. PMID:21412104

Separation of left and right lungs using 3-dimensional information of sequential computed tomography images and a guided dynamic programming algorithm.

PubMed

Park, Sang Cheol; Leader, Joseph Ken; Tan, Jun; Lee, Guee Sang; Kim, Soo Hyung; Na, In Seop; Zheng, Bin

2011-01-01

This article presents a new computerized scheme that aims to accurately and robustly separate left and right lungs on computed tomography (CT) examinations. We developed and tested a method to separate the left and right lungs using sequential CT information and a guided dynamic programming algorithm using adaptively and automatically selected start point and end point with especially severe and multiple connections. The scheme successfully identified and separated all 827 connections on the total 4034 CT images in an independent testing data set of CT examinations. The proposed scheme separated multiple connections regardless of their locations, and the guided dynamic programming algorithm reduced the computation time to approximately 4.6% in comparison with the traditional dynamic programming and avoided the permeation of the separation boundary into normal lung tissue. The proposed method is able to robustly and accurately disconnect all connections between left and right lungs, and the guided dynamic programming algorithm is able to remove redundant processing.

Approximately adaptive neural cooperative control for nonlinear multiagent systems with performance guarantee

NASA Astrophysics Data System (ADS)

Wang, Jing; Yang, Tianyu; Staskevich, Gennady; Abbe, Brian

2017-04-01

This paper studies the cooperative control problem for a class of multiagent dynamical systems with partially unknown nonlinear system dynamics. In particular, the control objective is to solve the state consensus problem for multiagent systems based on the minimisation of certain cost functions for individual agents. Under the assumption that there exist admissible cooperative controls for such class of multiagent systems, the formulated problem is solved through finding the optimal cooperative control using the approximate dynamic programming and reinforcement learning approach. With the aid of neural network parameterisation and online adaptive learning, our method renders a practically implementable approximately adaptive neural cooperative control for multiagent systems. Specifically, based on the Bellman's principle of optimality, the Hamilton-Jacobi-Bellman (HJB) equation for multiagent systems is first derived. We then propose an approximately adaptive policy iteration algorithm for multiagent cooperative control based on neural network approximation of the value functions. The convergence of the proposed algorithm is rigorously proved using the contraction mapping method. The simulation results are included to validate the effectiveness of the proposed algorithm.

Event-Triggered Distributed Control of Nonlinear Interconnected Systems Using Online Reinforcement Learning With Exploration.

PubMed

Narayanan, Vignesh; Jagannathan, Sarangapani

2017-09-07

In this paper, a distributed control scheme for an interconnected system composed of uncertain input affine nonlinear subsystems with event triggered state feedback is presented by using a novel hybrid learning scheme-based approximate dynamic programming with online exploration. First, an approximate solution to the Hamilton-Jacobi-Bellman equation is generated with event sampled neural network (NN) approximation and subsequently, a near optimal control policy for each subsystem is derived. Artificial NNs are utilized as function approximators to develop a suite of identifiers and learn the dynamics of each subsystem. The NN weight tuning rules for the identifier and event-triggering condition are derived using Lyapunov stability theory. Taking into account, the effects of NN approximation of system dynamics and boot-strapping, a novel NN weight update is presented to approximate the optimal value function. Finally, a novel strategy to incorporate exploration in online control framework, using identifiers, is introduced to reduce the overall cost at the expense of additional computations during the initial online learning phase. System states and the NN weight estimation errors are regulated and local uniformly ultimately bounded results are achieved. The analytical results are substantiated using simulation studies.

Optimal Guaranteed Cost Sliding Mode Control for Constrained-Input Nonlinear Systems With Matched and Unmatched Disturbances.

PubMed

Zhang, Huaguang; Qu, Qiuxia; Xiao, Geyang; Cui, Yang

2018-06-01

Based on integral sliding mode and approximate dynamic programming (ADP) theory, a novel optimal guaranteed cost sliding mode control is designed for constrained-input nonlinear systems with matched and unmatched disturbances. When the system moves on the sliding surface, the optimal guaranteed cost control problem of sliding mode dynamics is transformed into the optimal control problem of a reformulated auxiliary system with a modified cost function. The ADP algorithm based on single critic neural network (NN) is applied to obtain the approximate optimal control law for the auxiliary system. Lyapunov techniques are used to demonstrate the convergence of the NN weight errors. In addition, the derived approximate optimal control is verified to guarantee the sliding mode dynamics system to be stable in the sense of uniform ultimate boundedness. Some simulation results are presented to verify the feasibility of the proposed control scheme.

Approximate Dynamic Programming: Combining Regional and Local State Following Approximations.

PubMed

Deptula, Patryk; Rosenfeld, Joel A; Kamalapurkar, Rushikesh; Dixon, Warren E

2018-06-01

An infinite-horizon optimal regulation problem for a control-affine deterministic system is solved online using a local state following (StaF) kernel and a regional model-based reinforcement learning (R-MBRL) method to approximate the value function. Unlike traditional methods such as R-MBRL that aim to approximate the value function over a large compact set, the StaF kernel approach aims to approximate the value function in a local neighborhood of the state that travels within a compact set. In this paper, the value function is approximated using a state-dependent convex combination of the StaF-based and the R-MBRL-based approximations. As the state enters a neighborhood containing the origin, the value function transitions from being approximated by the StaF approach to the R-MBRL approach. Semiglobal uniformly ultimately bounded (SGUUB) convergence of the system states to the origin is established using a Lyapunov-based analysis. Simulation results are provided for two, three, six, and ten-state dynamical systems to demonstrate the scalability and performance of the developed method.

Policy oscillation is overshooting.

PubMed

Wagner, Paul

2014-04-01

A majority of approximate dynamic programming approaches to the reinforcement learning problem can be categorized into greedy value function methods and value-based policy gradient methods. The former approach, although fast, is well known to be susceptible to the policy oscillation phenomenon. We take a fresh view to this phenomenon by casting, within the context of non-optimistic policy iteration, a considerable subset of the former approach as a limiting special case of the latter. We explain the phenomenon in terms of this view and illustrate the underlying mechanism with artificial examples. We also use it to derive the constrained natural actor-critic algorithm that can interpolate between the aforementioned approaches. In addition, it has been suggested in the literature that the oscillation phenomenon might be subtly connected to the grossly suboptimal performance in the Tetris benchmark problem of all attempted approximate dynamic programming methods. Based on empirical findings, we offer a hypothesis that might explain the inferior performance levels and the associated policy degradation phenomenon, and which would partially support the suggested connection. Finally, we report scores in the Tetris problem that improve on existing dynamic programming based results by an order of magnitude. Copyright © 2014 Elsevier Ltd. All rights reserved.

Adaptive critic designs for discrete-time zero-sum games with application to H(infinity) control.

PubMed

Al-Tamimi, Asma; Abu-Khalaf, Murad; Lewis, Frank L

2007-02-01

In this correspondence, adaptive critic approximate dynamic programming designs are derived to solve the discrete-time zero-sum game in which the state and action spaces are continuous. This results in a forward-in-time reinforcement learning algorithm that converges to the Nash equilibrium of the corresponding zero-sum game. The results in this correspondence can be thought of as a way to solve the Riccati equation of the well-known discrete-time H(infinity) optimal control problem forward in time. Two schemes are presented, namely: 1) a heuristic dynamic programming and 2) a dual-heuristic dynamic programming, to solve for the value function and the costate of the game, respectively. An H(infinity) autopilot design for an F-16 aircraft is presented to illustrate the results.

LIMAO: Cross-platform software for simulating laser-induced alignment and orientation dynamics of linear-, symmetric- and asymmetric tops

NASA Astrophysics Data System (ADS)

Szidarovszky, Tamás; Jono, Maho; Yamanouchi, Kaoru

2018-07-01

A user-friendly and cross-platform software called Laser-Induced Molecular Alignment and Orientation simulator (LIMAO) has been developed. The program can be used to simulate within the rigid rotor approximation the rotational dynamics of gas phase molecules induced by linearly polarized intense laser fields at a given temperature. The software is implemented in the Java and Mathematica programming languages. The primary aim of LIMAO is to aid experimental scientists in predicting and analyzing experimental data representing laser-induced spatial alignment and orientation of molecules.

Dynamics Explorer 1: Energetic Ion Composition Spectrometer (EICS)

NASA Technical Reports Server (NTRS)

Shelley, E. G.; Peterson, W. K.; Collin, H. L.

1994-01-01

The Energetic Ion Composition Spectrometer (EICS) experiment was selected as part of the Dynamics Explorer (DE) Program. One of the primary goals of the DE program was to investigate in detail the plasma physics processes responsible for energizing thermal (approximately 1 eV) ionospheric ions and transporting them to the earth's plasma sheet and distant polar cap. The results of the EICS data analysis (including support of other investigators) and of the archiving efforts supported by this contract are summarized in this document. Also reported are some aspects of our operational support activities.

Dynamic ambulance reallocation for the reduction of ambulance response times using system status management.

PubMed

Lam, Sean Shao Wei; Zhang, Ji; Zhang, Zhong Cheng; Oh, Hong Choon; Overton, Jerry; Ng, Yih Yng; Ong, Marcus Eng Hock

2015-02-01

Dynamically reassigning ambulance deployment locations throughout a day to balance ambulance availability and demands can be effective in reducing response times. The objectives of this study were to model dynamic ambulance allocation plans in Singapore based on the system status management (SSM) strategy and to evaluate the dynamic deployment plans using a discrete event simulation (DES) model. The geographical information system-based analysis and mathematical programming were used to develop the dynamic ambulance deployment plans for SSM based on ambulance calls data from January 1, 2011, to June 30, 2011. A DES model that incorporated these plans was used to compare the performance of the dynamic SSM strategy against static reallocation policies under various demands and travel time uncertainties. When the deployment plans based on the SSM strategy were followed strictly, the DES model showed that the geographical information system-based plans resulted in approximately 13-second reduction in the median response times compared to the static reallocation policy, whereas the mathematical programming-based plans resulted in approximately a 44-second reduction. The response times and coverage performances were still better than the static policy when reallocations happened for only 60% of all the recommended moves. Dynamically reassigning ambulance deployment locations based on the SSM strategy can result in superior response times and coverage performance compared to static reallocation policies even when the dynamic plans were not followed strictly. Copyright © 2014 Elsevier Inc. All rights reserved.

Solving the dynamic ambulance relocation and dispatching problem using approximate dynamic programming

PubMed Central

Schmid, Verena

2012-01-01

Emergency service providers are supposed to locate ambulances such that in case of emergency patients can be reached in a time-efficient manner. Two fundamental decisions and choices need to be made real-time. First of all immediately after a request emerges an appropriate vehicle needs to be dispatched and send to the requests’ site. After having served a request the vehicle needs to be relocated to its next waiting location. We are going to propose a model and solve the underlying optimization problem using approximate dynamic programming (ADP), an emerging and powerful tool for solving stochastic and dynamic problems typically arising in the field of operations research. Empirical tests based on real data from the city of Vienna indicate that by deviating from the classical dispatching rules the average response time can be decreased from 4.60 to 4.01 minutes, which corresponds to an improvement of 12.89%. Furthermore we are going to show that it is essential to consider time-dependent information such as travel times and changes with respect to the request volume explicitly. Ignoring the current time and its consequences thereafter during the stage of modeling and optimization leads to suboptimal decisions. PMID:25540476

Distributed cooperative H∞ optimal tracking control of MIMO nonlinear multi-agent systems in strict-feedback form via adaptive dynamic programming

NASA Astrophysics Data System (ADS)

Luy, N. T.

2018-04-01

The design of distributed cooperative H∞ optimal controllers for multi-agent systems is a major challenge when the agents' models are uncertain multi-input and multi-output nonlinear systems in strict-feedback form in the presence of external disturbances. In this paper, first, the distributed cooperative H∞ optimal tracking problem is transformed into controlling the cooperative tracking error dynamics in affine form. Second, control schemes and online algorithms are proposed via adaptive dynamic programming (ADP) and the theory of zero-sum differential graphical games. The schemes use only one neural network (NN) for each agent instead of three from ADP to reduce computational complexity as well as avoid choosing initial NN weights for stabilising controllers. It is shown that despite not using knowledge of cooperative internal dynamics, the proposed algorithms not only approximate values to Nash equilibrium but also guarantee all signals, such as the NN weight approximation errors and the cooperative tracking errors in the closed-loop system, to be uniformly ultimately bounded. Finally, the effectiveness of the proposed method is shown by simulation results of an application to wheeled mobile multi-robot systems.

Online adaptive optimal control for continuous-time nonlinear systems with completely unknown dynamics

NASA Astrophysics Data System (ADS)

Lv, Yongfeng; Na, Jing; Yang, Qinmin; Wu, Xing; Guo, Yu

2016-01-01

An online adaptive optimal control is proposed for continuous-time nonlinear systems with completely unknown dynamics, which is achieved by developing a novel identifier-critic-based approximate dynamic programming algorithm with a dual neural network (NN) approximation structure. First, an adaptive NN identifier is designed to obviate the requirement of complete knowledge of system dynamics, and a critic NN is employed to approximate the optimal value function. Then, the optimal control law is computed based on the information from the identifier NN and the critic NN, so that the actor NN is not needed. In particular, a novel adaptive law design method with the parameter estimation error is proposed to online update the weights of both identifier NN and critic NN simultaneously, which converge to small neighbourhoods around their ideal values. The closed-loop system stability and the convergence to small vicinity around the optimal solution are all proved by means of the Lyapunov theory. The proposed adaptation algorithm is also improved to achieve finite-time convergence of the NN weights. Finally, simulation results are provided to exemplify the efficacy of the proposed methods.

Policy Iteration for $H_\\infty $ Optimal Control of Polynomial Nonlinear Systems via Sum of Squares Programming.

PubMed

Zhu, Yuanheng; Zhao, Dongbin; Yang, Xiong; Zhang, Qichao

2018-02-01

Sum of squares (SOS) polynomials have provided a computationally tractable way to deal with inequality constraints appearing in many control problems. It can also act as an approximator in the framework of adaptive dynamic programming. In this paper, an approximate solution to the optimal control of polynomial nonlinear systems is proposed. Under a given attenuation coefficient, the Hamilton-Jacobi-Isaacs equation is relaxed to an optimization problem with a set of inequalities. After applying the policy iteration technique and constraining inequalities to SOS, the optimization problem is divided into a sequence of feasible semidefinite programming problems. With the converged solution, the attenuation coefficient is further minimized to a lower value. After iterations, approximate solutions to the smallest -gain and the associated optimal controller are obtained. Four examples are employed to verify the effectiveness of the proposed algorithm.

Approximating high-dimensional dynamics by barycentric coordinates with linear programming

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

Hirata, Yoshito, E-mail: yoshito@sat.t.u-tokyo.ac.jp; Aihara, Kazuyuki; Suzuki, Hideyuki

The increasing development of novel methods and techniques facilitates the measurement of high-dimensional time series but challenges our ability for accurate modeling and predictions. The use of a general mathematical model requires the inclusion of many parameters, which are difficult to be fitted for relatively short high-dimensional time series observed. Here, we propose a novel method to accurately model a high-dimensional time series. Our method extends the barycentric coordinates to high-dimensional phase space by employing linear programming, and allowing the approximation errors explicitly. The extension helps to produce free-running time-series predictions that preserve typical topological, dynamical, and/or geometric characteristics ofmore » the underlying attractors more accurately than the radial basis function model that is widely used. The method can be broadly applied, from helping to improve weather forecasting, to creating electronic instruments that sound more natural, and to comprehensively understanding complex biological data.« less

Approximating high-dimensional dynamics by barycentric coordinates with linear programming.

PubMed

Hirata, Yoshito; Shiro, Masanori; Takahashi, Nozomu; Aihara, Kazuyuki; Suzuki, Hideyuki; Mas, Paloma

2015-01-01

The increasing development of novel methods and techniques facilitates the measurement of high-dimensional time series but challenges our ability for accurate modeling and predictions. The use of a general mathematical model requires the inclusion of many parameters, which are difficult to be fitted for relatively short high-dimensional time series observed. Here, we propose a novel method to accurately model a high-dimensional time series. Our method extends the barycentric coordinates to high-dimensional phase space by employing linear programming, and allowing the approximation errors explicitly. The extension helps to produce free-running time-series predictions that preserve typical topological, dynamical, and/or geometric characteristics of the underlying attractors more accurately than the radial basis function model that is widely used. The method can be broadly applied, from helping to improve weather forecasting, to creating electronic instruments that sound more natural, and to comprehensively understanding complex biological data.

Output-Feedback Control of Unknown Linear Discrete-Time Systems With Stochastic Measurement and Process Noise via Approximate Dynamic Programming.

PubMed

Wang, Jun-Sheng; Yang, Guang-Hong

2017-07-25

This paper studies the optimal output-feedback control problem for unknown linear discrete-time systems with stochastic measurement and process noise. A dithered Bellman equation with the innovation covariance matrix is constructed via the expectation operator given in the form of a finite summation. On this basis, an output-feedback-based approximate dynamic programming method is developed, where the terms depending on the innovation covariance matrix are available with the aid of the innovation covariance matrix identified beforehand. Therefore, by iterating the Bellman equation, the resulting value function can converge to the optimal one in the presence of the aforementioned noise, and the nearly optimal control laws are delivered. To show the effectiveness and the advantages of the proposed approach, a simulation example and a velocity control experiment on a dc machine are employed.

The constraint method: A new finite element technique. [applied to static and dynamic loads on plates

NASA Technical Reports Server (NTRS)

Tsai, C.; Szabo, B. A.

1973-01-01

An approch to the finite element method which utilizes families of conforming finite elements based on complete polynomials is presented. Finite element approximations based on this method converge with respect to progressively reduced element sizes as well as with respect to progressively increasing orders of approximation. Numerical results of static and dynamic applications of plates are presented to demonstrate the efficiency of the method. Comparisons are made with plate elements in NASTRAN and the high-precision plate element developed by Cowper and his co-workers. Some considerations are given to implementation of the constraint method into general purpose computer programs such as NASTRAN.

A computational algorithm for spacecraft control and momentum management

NASA Technical Reports Server (NTRS)

Dzielski, John; Bergmann, Edward; Paradiso, Joseph

1990-01-01

Developments in the area of nonlinear control theory have shown how coordinate changes in the state and input spaces of a dynamical system can be used to transform certain nonlinear differential equations into equivalent linear equations. These techniques are applied to the control of a spacecraft equipped with momentum exchange devices. An optimal control problem is formulated that incorporates a nonlinear spacecraft model. An algorithm is developed for solving the optimization problem using feedback linearization to transform to an equivalent problem involving a linear dynamical constraint and a functional approximation technique to solve for the linear dynamics in terms of the control. The original problem is transformed into an unconstrained nonlinear quadratic program that yields an approximate solution to the original problem. Two examples are presented to illustrate the results.

Harnessing graphical structure in Markov chain Monte Carlo learning

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

Stolorz, P.E.; Chew P.C.

1996-12-31

The Monte Carlo method is recognized as a useful tool in learning and probabilistic inference methods common to many datamining problems. Generalized Hidden Markov Models and Bayes nets are especially popular applications. However, the presence of multiple modes in many relevant integrands and summands often renders the method slow and cumbersome. Recent mean field alternatives designed to speed things up have been inspired by experience gleaned from physics. The current work adopts an approach very similar to this in spirit, but focusses instead upon dynamic programming notions as a basis for producing systematic Monte Carlo improvements. The idea is tomore » approximate a given model by a dynamic programming-style decomposition, which then forms a scaffold upon which to build successively more accurate Monte Carlo approximations. Dynamic programming ideas alone fail to account for non-local structure, while standard Monte Carlo methods essentially ignore all structure. However, suitably-crafted hybrids can successfully exploit the strengths of each method, resulting in algorithms that combine speed with accuracy. The approach relies on the presence of significant {open_quotes}local{close_quotes} information in the problem at hand. This turns out to be a plausible assumption for many important applications. Example calculations are presented, and the overall strengths and weaknesses of the approach are discussed.« less

COED Transactions, Vol. XI, No. 3, March 1979. LSSP: An Educational Aid to the Study of Linear System Dynamics.

ERIC Educational Resources Information Center

Mitchell, Eugene E., Ed.

The study of the dynamics of physical systems is of importance to all engineering students. LSSP, a Linear System Simulation Program, is used to study the behavior of physical phenomena and systems which may be represented to a good degree of approximation by linear models. Emphasis is placed upon the unity resulting from the mathematical…

A Polyhedral Outer-approximation, Dynamic-discretization optimization solver, 1.x

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

Bent, Rusell; Nagarajan, Harsha; Sundar, Kaarthik

2017-09-25

In this software, we implement an adaptive, multivariate partitioning algorithm for solving mixed-integer nonlinear programs (MINLP) to global optimality. The algorithm combines ideas that exploit the structure of convex relaxations to MINLPs and bound tightening procedures

Application of dynamic programming to control khuzestan water resources system

USGS Publications Warehouse

Jamshidi, M.; Heidari, M.

1977-01-01

An approximate optimization technique based on discrete dynamic programming called discrete differential dynamic programming (DDDP), is employed to obtain the near optimal operation policies of a water resources system in the Khuzestan Province of Iran. The technique makes use of an initial nominal state trajectory for each state variable, and forms corridors around the trajectories. These corridors represent a set of subdomains of the entire feasible domain. Starting with such a set of nominal state trajectories, improvements in objective function are sought within the corridors formed around them. This leads to a set of new nominal trajectories upon which more improvements may be sought. Since optimization is confined to a set of subdomains, considerable savings in memory and computer time are achieved over that of conventional dynamic programming. The Kuzestan water resources system considered in this study is located in southwest Iran, and consists of two rivers, three reservoirs, three hydropower plants, and three irrigable areas. Data and cost benefit functions for the analysis were obtained either from the historical records or from similar studies. ?? 1977.

Simulation-based decision support framework for dynamic ambulance redeployment in Singapore.

PubMed

Lam, Sean Shao Wei; Ng, Clarence Boon Liang; Nguyen, Francis Ngoc Hoang Long; Ng, Yih Yng; Ong, Marcus Eng Hock

2017-10-01

Dynamic ambulance redeployment policies tend to introduce much more flexibilities in improving ambulance resource allocation by capitalizing on the definite geospatial-temporal variations in ambulance demand patterns over the time-of-the-day and day-of-the-week effects. A novel modelling framework based on the Approximate Dynamic Programming (ADP) approach leveraging on a Discrete Events Simulation (DES) model for dynamic ambulance redeployment in Singapore is proposed in this paper. The study was based on the Singapore's national Emergency Medical Services (EMS) system. Based on a dataset comprising 216,973 valid incidents over a continuous two-years study period from 1 January 2011-31 December 2012, a DES model for the EMS system was developed. An ADP model based on linear value function approximations was then evaluated using the DES model via the temporal difference (TD) learning family of algorithms. The objective of the ADP model is to derive approximate optimal dynamic redeployment policies based on the primary outcome of ambulance coverage. Considering an 8min response time threshold, an estimated 5% reduction in the proportion of calls that cannot be reached within the threshold (equivalent to approximately 8000 dispatches) was observed from the computational experiments. The study also revealed that the redeployment policies which are restricted within the same operational division could potentially result in a more promising response time performance. Furthermore, the best policy involved the combination of redeploying ambulances whenever they are released from service and that of relocating ambulances that are idle in bases. This study demonstrated the successful application of an approximate modelling framework based on ADP that leverages upon a detailed DES model of the Singapore's EMS system to generate approximate optimal dynamic redeployment plans. Various policies and scenarios relevant to the Singapore EMS system were evaluated. Copyright © 2017 Elsevier B.V. All rights reserved.

The IHS diagnostic X-ray equipment radiation protection program

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

Knapp, A.; Byrns, G.; Suleiman, O.

The Indian Health Service (IHS) operates or contracts with Tribal groups to operate 50 hospitals and approximately 165 primary ambulatory care centers. These facilities contain approximately 275 medical and 800 dental diagnostic x-ray machines. IHS environmental health personnel in collaboration with the Food and Drug Administration's (FDA) Center for Devices and Radiological Health (CDRH) developed a diagnostic x-ray protection program including standard survey procedures and menu-driven calculations software. Important features of the program include the evaluation of equipment performance collection of average patient entrance skin exposure (ESE) measurements for selected procedures, and quality assurance. The ESE data, collected using themore » National Evaluation of X-ray Trends (NEXT) protocol, will be presented. The IHS Diagnostic X-ray Radiation Protection Program is dynamic and is adapting to changes in technology and workload.« less

Robust/optimal temperature profile control of a high-speed aerospace vehicle using neural networks.

PubMed

Yadav, Vivek; Padhi, Radhakant; Balakrishnan, S N

2007-07-01

An approximate dynamic programming (ADP)-based suboptimal neurocontroller to obtain desired temperature for a high-speed aerospace vehicle is synthesized in this paper. A 1-D distributed parameter model of a fin is developed from basic thermal physics principles. "Snapshot" solutions of the dynamics are generated with a simple dynamic inversion-based feedback controller. Empirical basis functions are designed using the "proper orthogonal decomposition" (POD) technique and the snapshot solutions. A low-order nonlinear lumped parameter system to characterize the infinite dimensional system is obtained by carrying out a Galerkin projection. An ADP-based neurocontroller with a dual heuristic programming (DHP) formulation is obtained with a single-network-adaptive-critic (SNAC) controller for this approximate nonlinear model. Actual control in the original domain is calculated with the same POD basis functions through a reverse mapping. Further contribution of this paper includes development of an online robust neurocontroller to account for unmodeled dynamics and parametric uncertainties inherent in such a complex dynamic system. A neural network (NN) weight update rule that guarantees boundedness of the weights and relaxes the need for persistence of excitation (PE) condition is presented. Simulation studies show that in a fairly extensive but compact domain, any desired temperature profile can be achieved starting from any initial temperature profile. Therefore, the ADP and NN-based controllers appear to have the potential to become controller synthesis tools for nonlinear distributed parameter systems.

Multiscale asymmetric orthogonal wavelet kernel for linear programming support vector learning and nonlinear dynamic systems identification.

PubMed

Lu, Zhao; Sun, Jing; Butts, Kenneth

2014-05-01

Support vector regression for approximating nonlinear dynamic systems is more delicate than the approximation of indicator functions in support vector classification, particularly for systems that involve multitudes of time scales in their sampled data. The kernel used for support vector learning determines the class of functions from which a support vector machine can draw its solution, and the choice of kernel significantly influences the performance of a support vector machine. In this paper, to bridge the gap between wavelet multiresolution analysis and kernel learning, the closed-form orthogonal wavelet is exploited to construct new multiscale asymmetric orthogonal wavelet kernels for linear programming support vector learning. The closed-form multiscale orthogonal wavelet kernel provides a systematic framework to implement multiscale kernel learning via dyadic dilations and also enables us to represent complex nonlinear dynamics effectively. To demonstrate the superiority of the proposed multiscale wavelet kernel in identifying complex nonlinear dynamic systems, two case studies are presented that aim at building parallel models on benchmark datasets. The development of parallel models that address the long-term/mid-term prediction issue is more intricate and challenging than the identification of series-parallel models where only one-step ahead prediction is required. Simulation results illustrate the effectiveness of the proposed multiscale kernel learning.

Impact evaluation of composite floor sections

NASA Technical Reports Server (NTRS)

Boitnott, Richard L.; Fasanella, Edwin L.

1989-01-01

Graphite-epoxy floor sections representative of aircraft fuselage construction were statically and dynamically tested to evaluate their response to crash loadings. These floor sections were fabricated using a frame-stringer design typical of present aluminum aircraft without features to enhance crashworthiness. The floor sections were tested as part of a systematic research program developed to study the impact response of composite components of increasing complexity. The ultimate goal of the research program is to develop crashworthy design features for future composite aircraft. Initially, individual frames of six-foot diameter were tested both statically and dynamically. The frames were then used to construct built-up floor sections for dynamic tests at impact velocities of approximately 20 feet/sec to simulate survivable crash velocities. In addition, static tests were conducted to gain a better understanding of the failure mechanisms seen in the dynamic tests.

Network Speech Systems Technology Program.

DTIC Science & Technology

1980-09-30

ognized that the lumped-speaker approximation could be extended even more generally to include cases of combined circuit-switched speech and packet...based on these tables. The first function is an im- portant element of the more general task of system control for a switched network, which in...programs are in preparation, as described below, for both steady-state evaluation and dynamic performance simulation of the algorithm in general

Performance tradeoffs in static and dynamic load balancing strategies

NASA Technical Reports Server (NTRS)

Iqbal, M. A.; Saltz, J. H.; Bokhart, S. H.

1986-01-01

The problem of uniformly distributing the load of a parallel program over a multiprocessor system was considered. A program was analyzed whose structure permits the computation of the optimal static solution. Then four strategies for load balancing were described and their performance compared. The strategies are: (1) the optimal static assignment algorithm which is guaranteed to yield the best static solution, (2) the static binary dissection method which is very fast but sub-optimal, (3) the greedy algorithm, a static fully polynomial time approximation scheme, which estimates the optimal solution to arbitrary accuracy, and (4) the predictive dynamic load balancing heuristic which uses information on the precedence relationships within the program and outperforms any of the static methods. It is also shown that the overhead incurred by the dynamic heuristic is reduced considerably if it is started off with a static assignment provided by either of the other three strategies.

A boundedness result for the direct heuristic dynamic programming.

PubMed

Liu, Feng; Sun, Jian; Si, Jennie; Guo, Wentao; Mei, Shengwei

2012-08-01

Approximate/adaptive dynamic programming (ADP) has been studied extensively in recent years for its potential scalability to solve large state and control space problems, including those involving continuous states and continuous controls. The applicability of ADP algorithms, especially the adaptive critic designs has been demonstrated in several case studies. Direct heuristic dynamic programming (direct HDP) is one of the ADP algorithms inspired by the adaptive critic designs. It has been shown applicable to industrial scale, realistic and complex control problems. In this paper, we provide a uniformly ultimately boundedness (UUB) result for the direct HDP learning controller under mild and intuitive conditions. By using a Lyapunov approach we show that the estimation errors of the learning parameters or the weights in the action and critic networks remain UUB. This result provides a useful controller convergence guarantee for the first time for the direct HDP design. Copyright © 2012 Elsevier Ltd. All rights reserved.

Kernel-Based Approximate Dynamic Programming Using Bellman Residual Elimination

DTIC Science & Technology

2010-02-01

framework is the ability to utilize stochastic system models, thereby allowing the system to make sound decisions even if there is randomness in the system ...approximate policy when a system model is unavailable. We present theoretical analysis of all BRE algorithms proving convergence to the optimal policy in...policies based on MDPs is that there may be parameters of the system model that are poorly known and/or vary with time as the system operates. System

Approximate dynamic programming approaches for appointment scheduling with patient preferences.

PubMed

Li, Xin; Wang, Jin; Fung, Richard Y K

2018-04-01

During the appointment booking process in out-patient departments, the level of patient satisfaction can be affected by whether or not their preferences can be met, including the choice of physicians and preferred time slot. In addition, because the appointments are sequential, considering future possible requests is also necessary for a successful appointment system. This paper proposes a Markov decision process model for optimizing the scheduling of sequential appointments with patient preferences. In contrast to existing models, the evaluation of a booking decision in this model focuses on the extent to which preferences are satisfied. Characteristics of the model are analysed to develop a system for formulating booking policies. Based on these characteristics, two types of approximate dynamic programming algorithms are developed to avoid the curse of dimensionality. Experimental results suggest directions for further fine-tuning of the model, as well as improving the efficiency of the two proposed algorithms. Copyright © 2018 Elsevier B.V. All rights reserved.

Hierarchic Extensions in the Static and Dynamic Analysis of Elastic Beams. Ph.D. Thesis, 1990 Final Report, May 1990

NASA Technical Reports Server (NTRS)

Watson, Robert A.

1991-01-01

Approximate solutions of static and dynamic beam problems by the p-version of the finite element method are investigated. Within a hierarchy of engineering beam idealizations, rigorous formulations of the strain and kinetic energies for straight and circular beam elements are presented. These formulations include rotating coordinate system effects and geometric nonlinearities to allow for the evaluation of vertical axis wind turbines, the motivating problem for this research. Hierarchic finite element spaces, based on extensions of the polynomial orders used to approximate the displacement variables, are constructed. The developed models are implemented into a general purpose computer program for evaluation. Quality control procedures are examined for a diverse set of sample problems. These procedures include estimating discretization errors in energy norm and natural frequencies, performing static and dynamic equilibrium checks, observing convergence for qualities of interest, and comparison with more exacting theories and experimental data. It is demonstrated that p-extensions produce exponential rates of convergence in the approximation of strain energy and natural frequencies for the class of problems investigated.

A computer program for the geometrically nonlinear static and dynamic analysis of arbitrarily loaded shells of revolution, theory and users manual

NASA Technical Reports Server (NTRS)

Ball, R. E.

1972-01-01

A digital computer program known as SATANS (static and transient analysis, nonlinear, shells) for the geometrically nonlinear static and dynamic response of arbitrarily loaded shells of revolution is presented. Instructions for the preparation of the input data cards and other information necessary for the operation of the program are described in detail and two sample problems are included. The governing partial differential equations are based upon Sanders' nonlinear thin shell theory for the conditions of small strains and moderately small rotations. The governing equations are reduced to uncoupled sets of four linear, second order, partial differential equations in the meridional and time coordinates by expanding the dependent variables in a Fourier sine or cosine series in the circumferential coordinate and treating the nonlinear modal coupling terms as pseudo loads. The derivatives with respect to the meridional coordinate are approximated by central finite differences, and the displacement accelerations are approximated by the implicit Houbolt backward difference scheme with a constant time interval. The boundaries of the shell may be closed, free, fixed, or elastically restrained. The program is coded in the FORTRAN 4 language and is dimensioned to allow a maximum of 10 arbitrary Fourier harmonics and a maximum product of the total number of meridional stations and the total number of Fourier harmonics of 200. The program requires 155,000 bytes of core storage.

Degree-Pruning Dynamic Programming Approaches to Central Time Series Minimizing Dynamic Time Warping Distance.

PubMed

Sun, Tao; Liu, Hongbo; Yu, Hong; Chen, C L Philip

2016-06-28

The central time series crystallizes the common patterns of the set it represents. In this paper, we propose a global constrained degree-pruning dynamic programming (g(dp)²) approach to obtain the central time series through minimizing dynamic time warping (DTW) distance between two time series. The DTW matching path theory with global constraints is proved theoretically for our degree-pruning strategy, which is helpful to reduce the time complexity and computational cost. Our approach can achieve the optimal solution between two time series. An approximate method to the central time series of multiple time series [called as m_g(dp)²] is presented based on DTW barycenter averaging and our g(dp)² approach by considering hierarchically merging strategy. As illustrated by the experimental results, our approaches provide better within-group sum of squares and robustness than other relevant algorithms.

Decentralized Bayesian search using approximate dynamic programming methods.

PubMed

Zhao, Yijia; Patek, Stephen D; Beling, Peter A

2008-08-01

We consider decentralized Bayesian search problems that involve a team of multiple autonomous agents searching for targets on a network of search points operating under the following constraints: 1) interagent communication is limited; 2) the agents do not have the opportunity to agree in advance on how to resolve equivalent but incompatible strategies; and 3) each agent lacks the ability to control or predict with certainty the actions of the other agents. We formulate the multiagent search-path-planning problem as a decentralized optimal control problem and introduce approximate dynamic heuristics that can be implemented in a decentralized fashion. After establishing some analytical properties of the heuristics, we present computational results for a search problem involving two agents on a 5 x 5 grid.

Dynamic Analyses of Result Quality in Energy-Aware Approximate Programs

NASA Astrophysics Data System (ADS)

RIngenburg, Michael F.

Energy efficiency is a key concern in the design of modern computer systems. One promising approach to energy-efficient computation, approximate computing, trades off output precision for energy efficiency. However, this tradeoff can have unexpected effects on computation quality. This thesis presents dynamic analysis tools to study, debug, and monitor the quality and energy efficiency of approximate computations. We propose three styles of tools: prototyping tools that allow developers to experiment with approximation in their applications, online tools that instrument code to determine the key sources of error, and online tools that monitor the quality of deployed applications in real time. Our prototyping tool is based on an extension to the functional language OCaml. We add approximation constructs to the language, an approximation simulator to the runtime, and profiling and auto-tuning tools for studying and experimenting with energy-quality tradeoffs. We also present two online debugging tools and three online monitoring tools. The first online tool identifies correlations between output quality and the total number of executions of, and errors in, individual approximate operations. The second tracks the number of approximate operations that flow into a particular value. Our online tools comprise three low-cost approaches to dynamic quality monitoring. They are designed to monitor quality in deployed applications without spending more energy than is saved by approximation. Online monitors can be used to perform real time adjustments to energy usage in order to meet specific quality goals. We present prototype implementations of all of these tools and describe their usage with several applications. Our prototyping, profiling, and autotuning tools allow us to experiment with approximation strategies and identify new strategies, our online tools succeed in providing new insights into the effects of approximation on output quality, and our monitors succeed in controlling output quality while still maintaining significant energy efficiency gains.

Efficiently approximating the Pareto frontier: Hydropower dam placement in the Amazon basin

USGS Publications Warehouse

Wu, Xiaojian; Gomes-Selman, Jonathan; Shi, Qinru; Xue, Yexiang; Garcia-Villacorta, Roosevelt; Anderson, Elizabeth; Sethi, Suresh; Steinschneider, Scott; Flecker, Alexander; Gomes, Carla P.

2018-01-01

Real–world problems are often not fully characterized by a single optimal solution, as they frequently involve multiple competing objectives; it is therefore important to identify the so-called Pareto frontier, which captures solution trade-offs. We propose a fully polynomial-time approximation scheme based on Dynamic Programming (DP) for computing a polynomially succinct curve that approximates the Pareto frontier to within an arbitrarily small > 0 on treestructured networks. Given a set of objectives, our approximation scheme runs in time polynomial in the size of the instance and 1/. We also propose a Mixed Integer Programming (MIP) scheme to approximate the Pareto frontier. The DP and MIP Pareto frontier approaches have complementary strengths and are surprisingly effective. We provide empirical results showing that our methods outperform other approaches in efficiency and accuracy. Our work is motivated by a problem in computational sustainability concerning the proliferation of hydropower dams throughout the Amazon basin. Our goal is to support decision-makers in evaluating impacted ecosystem services on the full scale of the Amazon basin. Our work is general and can be applied to approximate the Pareto frontier of a variety of multiobjective problems on tree-structured networks.

Discrete-Time Stable Generalized Self-Learning Optimal Control With Approximation Errors.

PubMed

Wei, Qinglai; Li, Benkai; Song, Ruizhuo

2018-04-01

In this paper, a generalized policy iteration (GPI) algorithm with approximation errors is developed for solving infinite horizon optimal control problems for nonlinear systems. The developed stable GPI algorithm provides a general structure of discrete-time iterative adaptive dynamic programming algorithms, by which most of the discrete-time reinforcement learning algorithms can be described using the GPI structure. It is for the first time that approximation errors are explicitly considered in the GPI algorithm. The properties of the stable GPI algorithm with approximation errors are analyzed. The admissibility of the approximate iterative control law can be guaranteed if the approximation errors satisfy the admissibility criteria. The convergence of the developed algorithm is established, which shows that the iterative value function is convergent to a finite neighborhood of the optimal performance index function, if the approximate errors satisfy the convergence criterion. Finally, numerical examples and comparisons are presented.

An Introduction to Computational Physics

NASA Astrophysics Data System (ADS)

Pang, Tao

2010-07-01

Preface to first edition; Preface; Acknowledgements; 1. Introduction; 2. Approximation of a function; 3. Numerical calculus; 4. Ordinary differential equations; 5. Numerical methods for matrices; 6. Spectral analysis; 7. Partial differential equations; 8. Molecular dynamics simulations; 9. Modeling continuous systems; 10. Monte Carlo simulations; 11. Genetic algorithm and programming; 12. Numerical renormalization; References; Index.

Using Approximate Dynamic Programming to Solve the Stochastic Demand Military Inventory Routing Problem with Direct Delivery

DTIC Science & Technology

due to the dangers of utilizing convoy operations. However, enemy actions, austere conditions, and inclement weather pose a significant risk to a...squares temporal differencing for policy evaluation. We construct a representative problem instance based on an austere combat environment in order to

Approximate optimal guidance for the advanced launch system

NASA Technical Reports Server (NTRS)

Feeley, T. S.; Speyer, J. L.

1993-01-01

A real-time guidance scheme for the problem of maximizing the payload into orbit subject to the equations of motion for a rocket over a spherical, non-rotating earth is presented. An approximate optimal launch guidance law is developed based upon an asymptotic expansion of the Hamilton - Jacobi - Bellman or dynamic programming equation. The expansion is performed in terms of a small parameter, which is used to separate the dynamics of the problem into primary and perturbation dynamics. For the zeroth-order problem the small parameter is set to zero and a closed-form solution to the zeroth-order expansion term of Hamilton - Jacobi - Bellman equation is obtained. Higher-order terms of the expansion include the effects of the neglected perturbation dynamics. These higher-order terms are determined from the solution of first-order linear partial differential equations requiring only the evaluation of quadratures. This technique is preferred as a real-time, on-line guidance scheme to alternative numerical iterative optimization schemes because of the unreliable convergence properties of these iterative guidance schemes and because the quadratures needed for the approximate optimal guidance law can be performed rapidly and by parallel processing. Even if the approximate solution is not nearly optimal, when using this technique the zeroth-order solution always provides a path which satisfies the terminal constraints. Results for two-degree-of-freedom simulations are presented for the simplified problem of flight in the equatorial plane and compared to the guidance scheme generated by the shooting method which is an iterative second-order technique.

Optimal tracking control for a class of nonlinear discrete-time systems with time delays based on heuristic dynamic programming.

PubMed

Zhang, Huaguang; Song, Ruizhuo; Wei, Qinglai; Zhang, Tieyan

2011-12-01

In this paper, a novel heuristic dynamic programming (HDP) iteration algorithm is proposed to solve the optimal tracking control problem for a class of nonlinear discrete-time systems with time delays. The novel algorithm contains state updating, control policy iteration, and performance index iteration. To get the optimal states, the states are also updated. Furthermore, the "backward iteration" is applied to state updating. Two neural networks are used to approximate the performance index function and compute the optimal control policy for facilitating the implementation of HDP iteration algorithm. At last, we present two examples to demonstrate the effectiveness of the proposed HDP iteration algorithm.

General Rotorcraft Aeromechanical Stability Program (GRASP): Theory manual

NASA Technical Reports Server (NTRS)

Hodges, Dewey H.; Hopkins, A. Stewart; Kunz, Donald L.; Hinnant, Howard E.

1990-01-01

The general rotorcraft aeromechanical stability program (GRASP) was developed to calculate aeroelastic stability for rotorcraft in hovering flight, vertical flight, and ground contact conditions. GRASP is described in terms of its capabilities and its philosophy of modeling. The equations of motion that govern the physical system are described, as well as the analytical approximations used to derive them. The equations include the kinematical equation, the element equations, and the constraint equations. In addition, the solution procedures used by GRASP are described. GRASP is capable of treating the nonlinear static and linearized dynamic behavior of structures represented by arbitrary collections of rigid-body and beam elements. These elements may be connected in an arbitrary fashion, and are permitted to have large relative motions. The main limitation of this analysis is that periodic coefficient effects are not treated, restricting rotorcraft flight conditions to hover, axial flight, and ground contact. Instead of following the methods employed in other rotorcraft programs. GRASP is designed to be a hybrid of the finite-element method and the multibody methods used in spacecraft analysis. GRASP differs from traditional finite-element programs by allowing multiple levels of substructure in which the substructures can move and/or rotate relative to others with no small-angle approximations. This capability facilitates the modeling of rotorcraft structures, including the rotating/nonrotating interface and the details of the blade/root kinematics for various types. GRASP differs from traditional multibody programs by considering aeroelastic effects, including inflow dynamics (simple unsteady aerodynamics) and nonlinear aerodynamic coefficients.

An Introduction to Computational Physics - 2nd Edition

NASA Astrophysics Data System (ADS)

Pang, Tao

2006-01-01

Preface to first edition; Preface; Acknowledgements; 1. Introduction; 2. Approximation of a function; 3. Numerical calculus; 4. Ordinary differential equations; 5. Numerical methods for matrices; 6. Spectral analysis; 7. Partial differential equations; 8. Molecular dynamics simulations; 9. Modeling continuous systems; 10. Monte Carlo simulations; 11. Genetic algorithm and programming; 12. Numerical renormalization; References; Index.

Adaptive dynamic programming for discrete-time linear quadratic regulation based on multirate generalised policy iteration

NASA Astrophysics Data System (ADS)

Chun, Tae Yoon; Lee, Jae Young; Park, Jin Bae; Choi, Yoon Ho

2018-06-01

In this paper, we propose two multirate generalised policy iteration (GPI) algorithms applied to discrete-time linear quadratic regulation problems. The proposed algorithms are extensions of the existing GPI algorithm that consists of the approximate policy evaluation and policy improvement steps. The two proposed schemes, named heuristic dynamic programming (HDP) and dual HDP (DHP), based on multirate GPI, use multi-step estimation (M-step Bellman equation) at the approximate policy evaluation step for estimating the value function and its gradient called costate, respectively. Then, we show that these two methods with the same update horizon can be considered equivalent in the iteration domain. Furthermore, monotonically increasing and decreasing convergences, so called value iteration (VI)-mode and policy iteration (PI)-mode convergences, are proved to hold for the proposed multirate GPIs. Further, general convergence properties in terms of eigenvalues are also studied. The data-driven online implementation methods for the proposed HDP and DHP are demonstrated and finally, we present the results of numerical simulations performed to verify the effectiveness of the proposed methods.

Approximation algorithms for scheduling unrelated parallel machines with release dates

NASA Astrophysics Data System (ADS)

Avdeenko, T. V.; Mesentsev, Y. A.; Estraykh, I. V.

2017-01-01

In this paper we propose approaches to optimal scheduling of unrelated parallel machines with release dates. One approach is based on the scheme of dynamic programming modified with adaptive narrowing of search domain ensuring its computational effectiveness. We discussed complexity of the exact schedules synthesis and compared it with approximate, close to optimal, solutions. Also we explain how the algorithm works for the example of two unrelated parallel machines and five jobs with release dates. Performance results that show the efficiency of the proposed approach have been given.

Adaptive Actor-Critic Design-Based Integral Sliding-Mode Control for Partially Unknown Nonlinear Systems With Input Disturbances.

PubMed

Fan, Quan-Yong; Yang, Guang-Hong

2016-01-01

This paper is concerned with the problem of integral sliding-mode control for a class of nonlinear systems with input disturbances and unknown nonlinear terms through the adaptive actor-critic (AC) control method. The main objective is to design a sliding-mode control methodology based on the adaptive dynamic programming (ADP) method, so that the closed-loop system with time-varying disturbances is stable and the nearly optimal performance of the sliding-mode dynamics can be guaranteed. In the first step, a neural network (NN)-based observer and a disturbance observer are designed to approximate the unknown nonlinear terms and estimate the input disturbances, respectively. Based on the NN approximations and disturbance estimations, the discontinuous part of the sliding-mode control is constructed to eliminate the effect of the disturbances and attain the expected equivalent sliding-mode dynamics. Then, the ADP method with AC structure is presented to learn the optimal control for the sliding-mode dynamics online. Reconstructed tuning laws are developed to guarantee the stability of the sliding-mode dynamics and the convergence of the weights of critic and actor NNs. Finally, the simulation results are presented to illustrate the effectiveness of the proposed method.

Grid integration and smart grid implementation of emerging technologies in electric power systems through approximate dynamic programming

NASA Astrophysics Data System (ADS)

Xiao, Jingjie

A key hurdle for implementing real-time pricing of electricity is a lack of consumers' responses. Solutions to overcome the hurdle include the energy management system that automatically optimizes household appliance usage such as plug-in hybrid electric vehicle charging (and discharging with vehicle-to-grid) via a two-way communication with the grid. Real-time pricing, combined with household automation devices, has a potential to accommodate an increasing penetration of plug-in hybrid electric vehicles. In addition, the intelligent energy controller on the consumer-side can help increase the utilization rate of the intermittent renewable resource, as the demand can be managed to match the output profile of renewables, thus making the intermittent resource such as wind and solar more economically competitive in the long run. One of the main goals of this dissertation is to present how real-time retail pricing, aided by control automation devices, can be integrated into the wholesale electricity market under various uncertainties through approximate dynamic programming. What distinguishes this study from the existing work in the literature is that whole- sale electricity prices are endogenously determined as we solve a system operator's economic dispatch problem on an hourly basis over the entire optimization horizon. This modeling and algorithm framework will allow a feedback loop between electricity prices and electricity consumption to be fully captured. While we are interested in a near-optimal solution using approximate dynamic programming; deterministic linear programming benchmarks are use to demonstrate the quality of our solutions. The other goal of the dissertation is to use this framework to provide numerical evidence to the debate on whether real-time pricing is superior than the current flat rate structure in terms of both economic and environmental impacts. For this purpose, the modeling and algorithm framework is tested on a large-scale test case with hundreds of power plants based on data available for California, making our findings useful for policy makers, system operators and utility companies to gain a concrete understanding on the scale of the impact with real-time pricing.

Neural-network-observer-based optimal control for unknown nonlinear systems using adaptive dynamic programming

NASA Astrophysics Data System (ADS)

Liu, Derong; Huang, Yuzhu; Wang, Ding; Wei, Qinglai

2013-09-01

In this paper, an observer-based optimal control scheme is developed for unknown nonlinear systems using adaptive dynamic programming (ADP) algorithm. First, a neural-network (NN) observer is designed to estimate system states. Then, based on the observed states, a neuro-controller is constructed via ADP method to obtain the optimal control. In this design, two NN structures are used: a three-layer NN is used to construct the observer which can be applied to systems with higher degrees of nonlinearity and without a priori knowledge of system dynamics, and a critic NN is employed to approximate the value function. The optimal control law is computed using the critic NN and the observer NN. Uniform ultimate boundedness of the closed-loop system is guaranteed. The actor, critic, and observer structures are all implemented in real-time, continuously and simultaneously. Finally, simulation results are presented to demonstrate the effectiveness of the proposed control scheme.

Three-dimensional dynamics of scientific balloon systems in response to sudden gust loadings. [including a computer program user manual

NASA Technical Reports Server (NTRS)

Dorsey, D. R., Jr.

1975-01-01

A mathematical model was developed of the three-dimensional dynamics of a high-altitude scientific research balloon system perturbed from its equilibrium configuration by an arbitrary gust loading. The platform is modelled as a system of four coupled pendula, and the equations of motion were developed in the Lagrangian formalism assuming a small-angle approximation. Three-dimensional pendulation, torsion, and precessional motion due to Coriolis forces are considered. Aerodynamic and viscous damping effects on the pendulatory and torsional motions are included. A general model of the gust field incident upon the balloon system was developed. The digital computer simulation program is described, and a guide to its use is given.

Neural dynamic optimization for control systems. I. Background.

PubMed

Seong, C Y; Widrow, B

2001-01-01

The paper presents neural dynamic optimization (NDO) as a method of optimal feedback control for nonlinear multi-input-multi-output (MIMO) systems. The main feature of NDO is that it enables neural networks to approximate the optimal feedback solution whose existence dynamic programming (DP) justifies, thereby reducing the complexities of computation and storage problems of the classical methods such as DP. This paper mainly describes the background and motivations for the development of NDO, while the two other subsequent papers of this topic present the theory of NDO and demonstrate the method with several applications including control of autonomous vehicles and of a robot arm, respectively.

Neural dynamic optimization for control systems.III. Applications.

PubMed

Seong, C Y; Widrow, B

2001-01-01

For pt.II. see ibid., p. 490-501. The paper presents neural dynamic optimization (NDO) as a method of optimal feedback control for nonlinear multi-input-multi-output (MIMO) systems. The main feature of NDO is that it enables neural networks to approximate the optimal feedback solution whose existence dynamic programming (DP) justifies, thereby reducing the complexities of computation and storage problems of the classical methods such as DP. This paper demonstrates NDO with several applications including control of autonomous vehicles and of a robot-arm, while the two other companion papers of this topic describes the background for the development of NDO and present the theory of the method, respectively.

Neural dynamic optimization for control systems.II. Theory.

PubMed

Seong, C Y; Widrow, B

2001-01-01

The paper presents neural dynamic optimization (NDO) as a method of optimal feedback control for nonlinear multi-input-multi-output (MIMO) systems. The main feature of NDO is that it enables neural networks to approximate the optimal feedback solution whose existence dynamic programming (DP) justifies, thereby reducing the complexities of computation and storage problems of the classical methods such as DP. This paper mainly describes the theory of NDO, while the two other companion papers of this topic explain the background for the development of NDO and demonstrate the method with several applications including control of autonomous vehicles and of a robot arm, respectively.

PAN AIR: A computer program for predicting subsonic or supersonic linear potential flows about arbitrary configurations using a higher order panel method. Volume 1: Theory document (version 1.1)

NASA Technical Reports Server (NTRS)

Magnus, A. E.; Epton, M. A.

1981-01-01

Panel aerodynamics (PAN AIR) is a system of computer programs designed to analyze subsonic and supersonic inviscid flows about arbitrary configurations. A panel method is a program which solves a linear partial differential equation by approximating the configuration surface by a set of panels. An overview of the theory of potential flow in general and PAN AIR in particular is given along with detailed mathematical formulations. Fluid dynamics, the Navier-Stokes equation, and the theory of panel methods were also discussed.

Comparison of the performance of the activPAL Professional physical activity logger to a discrete accelerometer-based activity monitor.

PubMed

Godfrey, A; Culhane, K M; Lyons, G M

2007-10-01

The aim of this study was to assess the accuracy of the 'activPAL Professional' physical activity logger by comparing its output to that of a proven discrete accelerometer-based activity monitor during extended measurements on healthy subjects while performing activities of daily living (ADL). Ten healthy adults, with unrestricted mobility, wore both the activPAL and the discrete dual accelerometer (Analog Devices ADXL202)-based activity monitor that recorded in synchronization with each other. The accelerometer derived data were then compared to that generated by the activPAL and a complete statistical and error analysis was performed using a Matlab program. This program determined trunk and thigh inclination angles to distinguish between sitting/lying, standing and stepping for the discrete accelerometer device and amount of time spent on each activity. Analysis was performed on a second-by-second basis and then categorized at 15s intervals in direct comparison with the activPAL generated data. Of the total time monitored (approximately 60 h) the detection accuracies for static and dynamic activities were approximately 98%. In a population of healthy adults, the data obtained from the activPAL Professional physical activity logger for both static and dynamic activities showed a close match to a proven discrete accelerometer data with an offset of approximately 2% between the two systems.

A Mathematica program for the approximate analytical solution to a nonlinear undamped Duffing equation by a new approximate approach

NASA Astrophysics Data System (ADS)

Wu, Dongmei; Wang, Zhongcheng

2006-03-01

According to Mickens [R.E. Mickens, Comments on a Generalized Galerkin's method for non-linear oscillators, J. Sound Vib. 118 (1987) 563], the general HB (harmonic balance) method is an approximation to the convergent Fourier series representation of the periodic solution of a nonlinear oscillator and not an approximation to an expansion in terms of a small parameter. Consequently, for a nonlinear undamped Duffing equation with a driving force Bcos(ωx), to find a periodic solution when the fundamental frequency is identical to ω, the corresponding Fourier series can be written as y˜(x)=∑n=1m acos[(2n-1)ωx]. How to calculate the coefficients of the Fourier series efficiently with a computer program is still an open problem. For HB method, by substituting approximation y˜(x) into force equation, expanding the resulting expression into a trigonometric series, then letting the coefficients of the resulting lowest-order harmonic be zero, one can obtain approximate coefficients of approximation y˜(x) [R.E. Mickens, Comments on a Generalized Galerkin's method for non-linear oscillators, J. Sound Vib. 118 (1987) 563]. But for nonlinear differential equations such as Duffing equation, it is very difficult to construct higher-order analytical approximations, because the HB method requires solving a set of algebraic equations for a large number of unknowns with very complex nonlinearities. To overcome the difficulty, forty years ago, Urabe derived a computational method for Duffing equation based on Galerkin procedure [M. Urabe, A. Reiter, Numerical computation of nonlinear forced oscillations by Galerkin's procedure, J. Math. Anal. Appl. 14 (1966) 107-140]. Dooren obtained an approximate solution of the Duffing oscillator with a special set of parameters by using Urabe's method [R. van Dooren, Stabilization of Cowell's classic finite difference method for numerical integration, J. Comput. Phys. 16 (1974) 186-192]. In this paper, in the frame of the general HB method, we present a new iteration algorithm to calculate the coefficients of the Fourier series. By using this new method, the iteration procedure starts with a(x)cos(ωx)+b(x)sin(ωx), and the accuracy may be improved gradually by determining new coefficients a,a,… will be produced automatically in an one-by-one manner. In all the stage of calculation, we need only to solve a cubic equation. Using this new algorithm, we develop a Mathematica program, which demonstrates following main advantages over the previous HB method: (1) it avoids solving a set of associate nonlinear equations; (2) it is easier to be implemented into a computer program, and produces a highly accurate solution with analytical expression efficiently. It is interesting to find that, generally, for a given set of parameters, a nonlinear Duffing equation can have three independent oscillation modes. For some sets of the parameters, it can have two modes with complex displacement and one with real displacement. But in some cases, it can have three modes, all of them having real displacement. Therefore, we can divide the parameters into two classes, according to the solution property: there is only one mode with real displacement and there are three modes with real displacement. This program should be useful to study the dynamically periodic behavior of a Duffing oscillator and can provide an approximate analytical solution with high-accuracy for testing the error behavior of newly developed numerical methods with a wide range of parameters. Program summaryTitle of program:AnalyDuffing.nb Catalogue identifier:ADWR_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADWR_v1_0 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions:none Computer for which the program is designed and others on which it has been tested:the program has been designed for a microcomputer and been tested on the microcomputer. Computers:IBM PC Installations:the address(es) of your computer(s) Operating systems under which the program has been tested:Windows XP Programming language used:Software Mathematica 4.2, 5.0 and 5.1 No. of lines in distributed program, including test data, etc.:23 663 No. of bytes in distributed program, including test data, etc.:152 321 Distribution format:tar.gz Memory required to execute with typical data:51 712 Bytes No. of bits in a word: No. of processors used:1 Has the code been vectorized?:no Peripherals used:no Program Library subprograms used:no Nature of physical problem:To find an approximate solution with analytical expressions for the undamped nonlinear Duffing equation with periodic driving force when the fundamental frequency is identical to the driving force. Method of solution:In the frame of the general HB method, by using a new iteration algorithm to calculate the coefficients of the Fourier series, we can obtain an approximate analytical solution with high-accuracy efficiently. Restrictions on the complexity of the problem:For problems, which have a large driving frequency, the convergence may be a little slow, because more iterative times are needed. Typical running time:several seconds Unusual features of the program:For an undamped Duffing equation, it can provide all the solutions or the oscillation modes with real displacement for any interesting parameters, for the required accuracy, efficiently. The program can be used to study the dynamically periodic behavior of a nonlinear oscillator, and can provide a high-accurate approximate analytical solution for developing high-accurate numerical method.

Experimental, Numerical and Analytical Characterization of Slosh Dynamics Applied to In-Space Propellant Storage, Management and Transfer

NASA Technical Reports Server (NTRS)

Storey, Jedediah M.; Kirk, Daniel; Gutierrez, Hector; Marsell, Brandon; Schallhorn, Paul; Lapilli, Gabriel D.

2015-01-01

Experimental and numerical results are presented from a new cryogenic fluid slosh program at the Florida Institute of Technology (FIT). Water and cryogenic liquid nitrogen are used in various ground-based tests with an approximately 30 cm diameter spherical tank to characterize damping, slosh mode frequencies, and slosh forces. The experimental results are compared to a computational fluid dynamics (CFD) model for validation. An analytical model is constructed from prior work for comparison. Good agreement is seen between experimental, numerical, and analytical results.

LAMMPS framework for dynamic bonding and an application modeling DNA

NASA Astrophysics Data System (ADS)

Svaneborg, Carsten

2012-08-01

We have extended the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) to support directional bonds and dynamic bonding. The framework supports stochastic formation of new bonds, breakage of existing bonds, and conversion between bond types. Bond formation can be controlled to limit the maximal functionality of a bead with respect to various bond types. Concomitant with the bond dynamics, angular and dihedral interactions are dynamically introduced between newly connected triplets and quartets of beads, where the interaction type is determined from the local pattern of bead and bond types. When breaking bonds, all angular and dihedral interactions involving broken bonds are removed. The framework allows chemical reactions to be modeled, and use it to simulate a simplistic, coarse-grained DNA model. The resulting DNA dynamics illustrates the power of the present framework. Catalogue identifier: AEME_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEME_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public Licence No. of lines in distributed program, including test data, etc.: 2 243 491 No. of bytes in distributed program, including test data, etc.: 771 Distribution format: tar.gz Programming language: C++ Computer: Single and multiple core servers Operating system: Linux/Unix/Windows Has the code been vectorized or parallelized?: Yes. The code has been parallelized by the use of MPI directives. RAM: 1 Gb Classification: 16.11, 16.12 Nature of problem: Simulating coarse-grain models capable of chemistry e.g. DNA hybridization dynamics. Solution method: Extending LAMMPS to handle dynamic bonding and directional bonds. Unusual features: Allows bonds to be created and broken while angular and dihedral interactions are kept consistent. Additional comments: The distribution file for this program is approximately 36 Mbytes and therefore is not delivered directly when download or E-mail is requested. Instead an html file giving details of how the program can be obtained is sent. Running time: Hours to days. The examples provided in the distribution take just seconds to run.

The numerical approach adopted in toba computer code for mass and heat transfer dynamic analysis of metal hydride hydrogen storage beds

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

El Osery, I.A.

1983-12-01

Modelling studies of metal hydride hydrogen storage beds is a part of an extensive R and D program conducted in Egypt on hydrogen energy. In this context two computer programs; namely RET and RET1; have been developed. In RET computer program, a cylindrical conduction bed model is considered and an approximate analytical solution is used for solution of the associated mass and heat transfer problem. This problem is solved in RET1 computer program numerically allowing more flexibility in operating conditions but still limited to cylindrical configuration with only two alternatives for heat exchange; either fluid is passing through tubes imbeddedmore » in the solid alloy matrix or solid rods are surrounded by annular fluid tubes. The present computer code TOBA is more flexible and realistic. It performs the mass and heat transfer dynamic analysis of metal hydride storage beds using a variety of geometrical and operating alternatives.« less

Probabilistic dual heuristic programming-based adaptive critic

NASA Astrophysics Data System (ADS)

Herzallah, Randa

2010-02-01

Adaptive critic (AC) methods have common roots as generalisations of dynamic programming for neural reinforcement learning approaches. Since they approximate the dynamic programming solutions, they are potentially suitable for learning in noisy, non-linear and non-stationary environments. In this study, a novel probabilistic dual heuristic programming (DHP)-based AC controller is proposed. Distinct to current approaches, the proposed probabilistic (DHP) AC method takes uncertainties of forward model and inverse controller into consideration. Therefore, it is suitable for deterministic and stochastic control problems characterised by functional uncertainty. Theoretical development of the proposed method is validated by analytically evaluating the correct value of the cost function which satisfies the Bellman equation in a linear quadratic control problem. The target value of the probabilistic critic network is then calculated and shown to be equal to the analytically derived correct value. Full derivation of the Riccati solution for this non-standard stochastic linear quadratic control problem is also provided. Moreover, the performance of the proposed probabilistic controller is demonstrated on linear and non-linear control examples.

Dynamics of a bistable Miura-origami structure

NASA Astrophysics Data System (ADS)

Fang, Hongbin; Li, Suyi; Ji, Huimin; Wang, K. W.

2017-05-01

Origami-inspired structures and materials have shown extraordinary properties and performances originating from the intricate geometries of folding. However, current state of the art studies have mostly focused on static and quasistatic characteristics. This research performs a comprehensive experimental and analytical study on the dynamics of origami folding through investigating a stacked Miura-Ori (SMO) structure with intrinsic bistability. We fabricate and experimentally investigated a bistable SMO prototype with rigid facets and flexible crease lines. Under harmonic base excitation, the SMO exhibits both intrawell and interwell oscillations. Spectrum analyses reveal that the dominant nonlinearities of SMO are quadratic and cubic, which generate rich dynamics including subharmonic and chaotic oscillations. The identified nonlinearities indicate that a third-order polynomial can be employed to approximate the measured force-displacement relationship. Such an approximation is validated via numerical study by qualitatively reproducing the phenomena observed in the experiments. The dynamic characteristics of the bistable SMO resemble those of a Helmholtz-Duffing oscillator (HDO); this suggests the possibility of applying the established tools and insights of HDO to predict origami dynamics. We also show that the bistability of SMO can be programmed within a large design space via tailoring the crease stiffness and initial stress-free configurations. The results of this research offer a wealth of fundamental insights into the dynamics of origami folding, and provide a solid foundation for developing foldable and deployable structures and materials with embedded dynamic functionalities.

IMPLICIT DUAL CONTROL BASED ON PARTICLE FILTERING AND FORWARD DYNAMIC PROGRAMMING.

PubMed

Bayard, David S; Schumitzky, Alan

2010-03-01

This paper develops a sampling-based approach to implicit dual control. Implicit dual control methods synthesize stochastic control policies by systematically approximating the stochastic dynamic programming equations of Bellman, in contrast to explicit dual control methods that artificially induce probing into the control law by modifying the cost function to include a term that rewards learning. The proposed implicit dual control approach is novel in that it combines a particle filter with a policy-iteration method for forward dynamic programming. The integration of the two methods provides a complete sampling-based approach to the problem. Implementation of the approach is simplified by making use of a specific architecture denoted as an H-block. Practical suggestions are given for reducing computational loads within the H-block for real-time applications. As an example, the method is applied to the control of a stochastic pendulum model having unknown mass, length, initial position and velocity, and unknown sign of its dc gain. Simulation results indicate that active controllers based on the described method can systematically improve closed-loop performance with respect to other more common stochastic control approaches.

An experiment-based comparative study of fuzzy logic control

NASA Technical Reports Server (NTRS)

Berenji, Hamid R.; Chen, Yung-Yaw; Lee, Chuen-Chein; Murugesan, S.; Jang, Jyh-Shing

1989-01-01

An approach is presented to the control of a dynamic physical system through the use of approximate reasoning. The approach has been implemented in a program named POLE, and the authors have successfully built a prototype hardware system to solve the cartpole balancing problem in real-time. The approach provides a complementary alternative to the conventional analytical control methodology and is of substantial use when a precise mathematical model of the process being controlled is not available. A set of criteria for comparing controllers based on approximate reasoning and those based on conventional control schemes is furnished.

The LATDYN user's manual

NASA Technical Reports Server (NTRS)

Housner, J. M.; Mcgowan, P. E.; Abrahamson, A. L.; Powell, M. G.

1986-01-01

The LATDYN User's Manual presents the capabilities and instructions for the LATDYN (Large Angle Transient DYNamics) computer program. The LATDYN program is a tool for analyzing the controlled or uncontrolled dynamic transient behavior of interconnected deformable multi-body systems which can undergo large angular motions of each body relative other bodies. The program accommodates large structural deformation as well as large rigid body rotations and is applicable, but not limited to, the following areas: (1) development of large flexible space structures; (2) slewing of large space structure components; (3) mechanisms with rigid or elastic components; and (4) robotic manipulations of beam members. Presently the program is limited to two dimensional problems, but in many cases, three dimensional problems can be exactly or approximately reduced to two dimensions. The program uses convected finite elements to affect the large angular motions involved in the analysis. General geometry is permitted. Detailed user input and output specifications are provided and discussed with example runstreams. To date, LATDYN has been configured for CDC/NOS and DEC VAX/VMS machines. All coding is in ANSII-77 FORTRAN. Detailed instructions regarding interfaces with particular computer operating systems and file structures are provided.

Policy Gradient Adaptive Dynamic Programming for Data-Based Optimal Control.

PubMed

Luo, Biao; Liu, Derong; Wu, Huai-Ning; Wang, Ding; Lewis, Frank L

2017-10-01

The model-free optimal control problem of general discrete-time nonlinear systems is considered in this paper, and a data-based policy gradient adaptive dynamic programming (PGADP) algorithm is developed to design an adaptive optimal controller method. By using offline and online data rather than the mathematical system model, the PGADP algorithm improves control policy with a gradient descent scheme. The convergence of the PGADP algorithm is proved by demonstrating that the constructed Q -function sequence converges to the optimal Q -function. Based on the PGADP algorithm, the adaptive control method is developed with an actor-critic structure and the method of weighted residuals. Its convergence properties are analyzed, where the approximate Q -function converges to its optimum. Computer simulation results demonstrate the effectiveness of the PGADP-based adaptive control method.

Model-Free Adaptive Control for Unknown Nonlinear Zero-Sum Differential Game.

PubMed

Zhong, Xiangnan; He, Haibo; Wang, Ding; Ni, Zhen

2018-05-01

In this paper, we present a new model-free globalized dual heuristic dynamic programming (GDHP) approach for the discrete-time nonlinear zero-sum game problems. First, the online learning algorithm is proposed based on the GDHP method to solve the Hamilton-Jacobi-Isaacs equation associated with optimal regulation control problem. By setting backward one step of the definition of performance index, the requirement of system dynamics, or an identifier is relaxed in the proposed method. Then, three neural networks are established to approximate the optimal saddle point feedback control law, the disturbance law, and the performance index, respectively. The explicit updating rules for these three neural networks are provided based on the data generated during the online learning along the system trajectories. The stability analysis in terms of the neural network approximation errors is discussed based on the Lyapunov approach. Finally, two simulation examples are provided to show the effectiveness of the proposed method.

Jmy regulates oligodendrocyte differentiation via modulation of actin cytoskeleton dynamics.

PubMed

Azevedo, Maria M; Domingues, Helena S; Cordelières, Fabrice P; Sampaio, Paula; Seixas, Ana I; Relvas, João B

2018-05-06

During central nervous system development, oligodendrocytes form structurally and functionally distinct actin-rich protrusions that contact and wrap around axons to assemble myelin sheaths. Establishment of axonal contact is a limiting step in myelination that relies on the oligodendrocyte's ability to locally coordinate cytoskeletal rearrangements with myelin production, under the control of a transcriptional differentiation program. The molecules that provide fine-tuning of actin dynamics during oligodendrocyte differentiation and axon ensheathment remain largely unidentified. We performed transcriptomics analysis of soma and protrusion fractions from rat brain oligodendrocyte progenitors and found a subcellular enrichment of mRNAs in newly-formed protrusions. Approximately 30% of protrusion-enriched transcripts encode proteins related to cytoskeleton dynamics, including the junction mediating and regulatory protein Jmy, a multifunctional regulator of actin polymerization. Here, we show that expression of Jmy is upregulated during myelination and is required for the assembly of actin filaments and protrusion formation during oligodendrocyte differentiation. Quantitative morphodynamics analysis of live oligodendrocytes showed that differentiation is driven by a stereotypical actin network-dependent "cellular shaping" program. Disruption of actin dynamics via knockdown of Jmy leads to a program fail resulting in oligodendrocytes that do not acquire an arborized morphology and are less efficient in contacting neurites and forming myelin wraps in co-cultures with neurons. Our findings provide new mechanistic insight into the relationship between cell shape dynamics and differentiation in development. © 2018 Wiley Periodicals, Inc.

Dynamics and Control of Orbiting Space Structures NASA Advanced Design Program (ADP)

NASA Technical Reports Server (NTRS)

Cruse, T. A.

1996-01-01

The report summarizes the advanced design program in the mechanical engineering department at Vanderbilt University for the academic years 1994-1995 and 1995-1996. Approximately 100 students participated in the two years of the subject grant funding. The NASA-oriented design projects that were selected included lightweight hydrogen propellant tank for the reusable launch vehicle, a thermal barrier coating test facility, a piezoelectric motor for space antenna control, and a lightweight satellite for automated materials processing. The NASA supported advanced design program (ADP) has been a success and a number of graduates are working in aerospace and are doing design.

Time-dependent theoretical treatments of the dynamics of electrons and nuclei in molecular systems

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

Deumens, E.; Diz, A.; Longo, R.

1994-07-01

An overview is presented of methods for time-dependent treatments of molecules as systems of electrons and nuclei. The theoretical details of these methods are reviewed and contrasted in the light of a recently developed time-dependent method called electron-nuclear dynamics. Electron-nuclear dynamics (END) is a formulation of the complete dynamics of electrons and nuclei of a molecular system that eliminates the necessity of constructing potential-energy surfaces. Because of its general formulation, it encompasses many aspects found in other formulations and can serve as a didactic device for clarifying many of the principles and approximations relevant in time-dependent treatments of molecular systems.more » The END equations are derived from the time-dependent variational principle applied to a chosen family of efficiently parametrized approximate state vectors. A detailed analysis of the END equations is given for the case of a single-determinantal state for the electrons and a classical treatment of the nuclei. The approach leads to a simple formulation of the fully nonlinear time-dependent Hartree-Fock theory including nuclear dynamics. The nonlinear END equations with the [ital ab] [ital initio] Coulomb Hamiltonian have been implemented at this level of theory in a computer program, ENDyne, and have been shown feasible for the study of small molecular systems. Implementation of the Austin Model 1 semiempirical Hamiltonian is discussed as a route to large molecular systems. The linearized END equations at this level of theory are shown to lead to the random-phase approximation for the coupled system of electrons and nuclei. The qualitative features of the general nonlinear solution are analyzed using the results of the linearized equations as a first approximation. Some specific applications of END are presented, and the comparison with experiment and other theoretical approaches is discussed.« less

A high performance system for molecular dynamics simulation of biomolecules using a special-purpose computer.

PubMed

Komeiji, Y; Yokoyama, H; Uebayasi, M; Taiji, M; Fukushige, T; Sugimoto, D; Takata, R; Shimizu, A; Itsukashi, K

1996-01-01

GRAPE (GRavity PipE) processors are special purpose computers for simulation of classical particles. The performance of MD-GRAPE, one of the GRAPEs developed for molecular dynamics, was investigated. The effective speed of MD-GRAPE was equivalent to approximately 6 Gflops. The precision of MD-GRAPE was good judging from the acceptable fluctuation of the total energy. Then a software named PEACH (Program for Energetic Analysis of bioCHemical molecules) was developed for molecular dynamics of biomolecules in combination with MD-GRAPE. Molecular dynamics simulation was performed for several protein-solvent systems with different sizes. Simulation of the largest system investigated (27,000 atoms) took only 5 sec/step. Thus, the PEACH-GRAPE system is expected to be useful in accurate and reliable simulation of large biomolecules.

BWM*: A Novel, Provable, Ensemble-based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design.

PubMed

Jou, Jonathan D; Jain, Swati; Georgiev, Ivelin S; Donald, Bruce R

2016-06-01

Sparse energy functions that ignore long range interactions between residue pairs are frequently used by protein design algorithms to reduce computational cost. Current dynamic programming algorithms that fully exploit the optimal substructure produced by these energy functions only compute the GMEC. This disproportionately favors the sequence of a single, static conformation and overlooks better binding sequences with multiple low-energy conformations. Provable, ensemble-based algorithms such as A* avoid this problem, but A* cannot guarantee better performance than exhaustive enumeration. We propose a novel, provable, dynamic programming algorithm called Branch-Width Minimization* (BWM*) to enumerate a gap-free ensemble of conformations in order of increasing energy. Given a branch-decomposition of branch-width w for an n-residue protein design with at most q discrete side-chain conformations per residue, BWM* returns the sparse GMEC in O([Formula: see text]) time and enumerates each additional conformation in merely O([Formula: see text]) time. We define a new measure, Total Effective Search Space (TESS), which can be computed efficiently a priori before BWM* or A* is run. We ran BWM* on 67 protein design problems and found that TESS discriminated between BWM*-efficient and A*-efficient cases with 100% accuracy. As predicted by TESS and validated experimentally, BWM* outperforms A* in 73% of the cases and computes the full ensemble or a close approximation faster than A*, enumerating each additional conformation in milliseconds. Unlike A*, the performance of BWM* can be predicted in polynomial time before running the algorithm, which gives protein designers the power to choose the most efficient algorithm for their particular design problem.

Discrete-Time Local Value Iteration Adaptive Dynamic Programming: Admissibility and Termination Analysis.

PubMed

Wei, Qinglai; Liu, Derong; Lin, Qiao

In this paper, a novel local value iteration adaptive dynamic programming (ADP) algorithm is developed to solve infinite horizon optimal control problems for discrete-time nonlinear systems. The focuses of this paper are to study admissibility properties and the termination criteria of discrete-time local value iteration ADP algorithms. In the discrete-time local value iteration ADP algorithm, the iterative value functions and the iterative control laws are both updated in a given subset of the state space in each iteration, instead of the whole state space. For the first time, admissibility properties of iterative control laws are analyzed for the local value iteration ADP algorithm. New termination criteria are established, which terminate the iterative local ADP algorithm with an admissible approximate optimal control law. Finally, simulation results are given to illustrate the performance of the developed algorithm.In this paper, a novel local value iteration adaptive dynamic programming (ADP) algorithm is developed to solve infinite horizon optimal control problems for discrete-time nonlinear systems. The focuses of this paper are to study admissibility properties and the termination criteria of discrete-time local value iteration ADP algorithms. In the discrete-time local value iteration ADP algorithm, the iterative value functions and the iterative control laws are both updated in a given subset of the state space in each iteration, instead of the whole state space. For the first time, admissibility properties of iterative control laws are analyzed for the local value iteration ADP algorithm. New termination criteria are established, which terminate the iterative local ADP algorithm with an admissible approximate optimal control law. Finally, simulation results are given to illustrate the performance of the developed algorithm.

Linear and nonlinear dynamic analysis of redundant load path bearingless rotor systems

NASA Technical Reports Server (NTRS)

Murthy, V. R.

1985-01-01

The bearingless rotorcraft offers reduced weight, less complexity and superior flying qualities. Almost all the current industrial structural dynamic programs of conventional rotors which consist of single load path rotor blades employ the transfer matrix method to determine natural vibration characteristics because this method is ideally suited for one dimensional chain like structures. This method is extended to multiple load path rotor blades without resorting to an equivalent single load path approximation. Unlike the conventional blades, it isk necessary to introduce the axial-degree-of-freedom into the solution process to account for the differential axial displacements in the different load paths. With the present extension, the current rotor dynamic programs can be modified with relative ease to account for the multiple load paths without resorting to the equivalent single load path modeling. The results obtained by the transfer matrix method are validated by comparing with the finite element solutions. A differential stiffness matrix due to blade rotation is derived to facilitate the finite element solutions.

Approximate Dynamic Programming and Aerial Refueling

DTIC Science & Technology

2007-06-01

by two Army Air Corps de Havilland DH -4Bs (9). While crude by modern standards, the passing of hoses be- tween planes is effectively the same approach...incorporating stochastic data sets. . . . . . . . . . . 106 55 Total Cost Stochastically Trained Simulations versus Deterministically Trained Simulations...incorporating stochastic data sets. 106 To create meaningful results when testing stochastic data, the data sets are av- eraged so that conclusions are not

Management of a stage-structured insect pest: an application of approximate optimization.

PubMed

Hackett, Sean C; Bonsall, Michael B

2018-06-01

Ecological decision problems frequently require the optimization of a sequence of actions over time where actions may have both immediate and downstream effects. Dynamic programming can solve such problems only if the dimensionality is sufficiently low. Approximate dynamic programming (ADP) provides a suite of methods applicable to problems of arbitrary complexity at the expense of guaranteed optimality. The most easily generalized method is the look-ahead policy: a brute-force algorithm that identifies reasonable actions by constructing and solving a series of temporally truncated approximations of the full problem over a defined planning horizon. We develop and apply this approach to a pest management problem inspired by the Mediterranean fruit fly, Ceratitis capitata. The model aims to minimize the cumulative costs of management actions and medfly-induced losses over a single 16-week season. The medfly population is stage-structured and grows continuously while management decisions are made at discrete, weekly intervals. For each week, the model chooses between inaction, insecticide application, or one of six sterile insect release ratios. Look-ahead policy performance is evaluated over a range of planning horizons, two levels of crop susceptibility to medfly and three levels of pesticide persistence. In all cases, the actions proposed by the look-ahead policy are contrasted to those of a myopic policy that minimizes costs over only the current week. We find that look-ahead policies always out-performed a myopic policy and decision quality is sensitive to the temporal distribution of costs relative to the planning horizon: it is beneficial to extend the planning horizon when it excludes pertinent costs. However, longer planning horizons may reduce decision quality when major costs are resolved imminently. ADP methods such as the look-ahead-policy-based approach developed here render questions intractable to dynamic programming amenable to inference but should be applied carefully as their flexibility comes at the expense of guaranteed optimality. However, given the complexity of many ecological management problems, the capacity to propose a strategy that is "good enough" using a more representative problem formulation may be preferable to an optimal strategy derived from a simplified model. © 2018 by the Ecological Society of America.

Neural dynamic programming and its application to control systems

NASA Astrophysics Data System (ADS)

Seong, Chang-Yun

There are few general practical feedback control methods for nonlinear MIMO (multi-input-multi-output) systems, although such methods exist for their linear counterparts. Neural Dynamic Programming (NDP) is proposed as a practical design method of optimal feedback controllers for nonlinear MIMO systems. NDP is an offspring of both neural networks and optimal control theory. In optimal control theory, the optimal solution to any nonlinear MIMO control problem may be obtained from the Hamilton-Jacobi-Bellman equation (HJB) or the Euler-Lagrange equations (EL). The two sets of equations provide the same solution in different forms: EL leads to a sequence of optimal control vectors, called Feedforward Optimal Control (FOC); HJB yields a nonlinear optimal feedback controller, called Dynamic Programming (DP). DP produces an optimal solution that can reject disturbances and uncertainties as a result of feedback. Unfortunately, computation and storage requirements associated with DP solutions can be problematic, especially for high-order nonlinear systems. This dissertation presents an approximate technique for solving the DP problem based on neural network techniques that provides many of the performance benefits (e.g., optimality and feedback) of DP and benefits from the numerical properties of neural networks. We formulate neural networks to approximate optimal feedback solutions whose existence DP justifies. We show the conditions under which NDP closely approximates the optimal solution. Finally, we introduce the learning operator characterizing the learning process of the neural network in searching the optimal solution. The analysis of the learning operator provides not only a fundamental understanding of the learning process in neural networks but also useful guidelines for selecting the number of weights of the neural network. As a result, NDP finds---with a reasonable amount of computation and storage---the optimal feedback solutions to nonlinear MIMO control problems that would be very difficult to solve with DP. NDP was demonstrated on several applications such as the lateral autopilot logic for a Boeing 747, the minimum fuel control of a double-integrator plant with bounded control, the backward steering of a two-trailer truck, and the set-point control of a two-link robot arm.

An approximate dynamic programming approach to resource management in multi-cloud scenarios

NASA Astrophysics Data System (ADS)

Pietrabissa, Antonio; Priscoli, Francesco Delli; Di Giorgio, Alessandro; Giuseppi, Alessandro; Panfili, Martina; Suraci, Vincenzo

2017-03-01

The programmability and the virtualisation of network resources are crucial to deploy scalable Information and Communications Technology (ICT) services. The increasing demand of cloud services, mainly devoted to the storage and computing, requires a new functional element, the Cloud Management Broker (CMB), aimed at managing multiple cloud resources to meet the customers' requirements and, simultaneously, to optimise their usage. This paper proposes a multi-cloud resource allocation algorithm that manages the resource requests with the aim of maximising the CMB revenue over time. The algorithm is based on Markov decision process modelling and relies on reinforcement learning techniques to find online an approximate solution.

Probabilistic Structural Analysis Theory Development

NASA Technical Reports Server (NTRS)

Burnside, O. H.

1985-01-01

The objective of the Probabilistic Structural Analysis Methods (PSAM) project is to develop analysis techniques and computer programs for predicting the probabilistic response of critical structural components for current and future space propulsion systems. This technology will play a central role in establishing system performance and durability. The first year's technical activity is concentrating on probabilistic finite element formulation strategy and code development. Work is also in progress to survey critical materials and space shuttle mian engine components. The probabilistic finite element computer program NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) is being developed. The final probabilistic code will have, in the general case, the capability of performing nonlinear dynamic of stochastic structures. It is the goal of the approximate methods effort to increase problem solving efficiency relative to finite element methods by using energy methods to generate trial solutions which satisfy the structural boundary conditions. These approximate methods will be less computer intensive relative to the finite element approach.

On Using Surrogates with Genetic Programming.

PubMed

Hildebrandt, Torsten; Branke, Jürgen

2015-01-01

One way to accelerate evolutionary algorithms with expensive fitness evaluations is to combine them with surrogate models. Surrogate models are efficiently computable approximations of the fitness function, derived by means of statistical or machine learning techniques from samples of fully evaluated solutions. But these models usually require a numerical representation, and therefore cannot be used with the tree representation of genetic programming (GP). In this paper, we present a new way to use surrogate models with GP. Rather than using the genotype directly as input to the surrogate model, we propose using a phenotypic characterization. This phenotypic characterization can be computed efficiently and allows us to define approximate measures of equivalence and similarity. Using a stochastic, dynamic job shop scenario as an example of simulation-based GP with an expensive fitness evaluation, we show how these ideas can be used to construct surrogate models and improve the convergence speed and solution quality of GP.

A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems.

PubMed

Smith, Kyle K G; Poulsen, Jens Aage; Nyman, Gunnar; Rossky, Peter J

2015-06-28

We develop two classes of quasi-classical dynamics that are shown to conserve the initial quantum ensemble when used in combination with the Feynman-Kleinert approximation of the density operator. These dynamics are used to improve the Feynman-Kleinert implementation of the classical Wigner approximation for the evaluation of quantum time correlation functions known as Feynman-Kleinert linearized path-integral. As shown, both classes of dynamics are able to recover the exact classical and high temperature limits of the quantum time correlation function, while a subset is able to recover the exact harmonic limit. A comparison of the approximate quantum time correlation functions obtained from both classes of dynamics is made with the exact results for the challenging model problems of the quartic and double-well potentials. It is found that these dynamics provide a great improvement over the classical Wigner approximation, in which purely classical dynamics are used. In a special case, our first method becomes identical to centroid molecular dynamics.

Iterative Adaptive Dynamic Programming for Solving Unknown Nonlinear Zero-Sum Game Based on Online Data.

PubMed

Zhu, Yuanheng; Zhao, Dongbin; Li, Xiangjun

2017-03-01

H ∞ control is a powerful method to solve the disturbance attenuation problems that occur in some control systems. The design of such controllers relies on solving the zero-sum game (ZSG). But in practical applications, the exact dynamics is mostly unknown. Identification of dynamics also produces errors that are detrimental to the control performance. To overcome this problem, an iterative adaptive dynamic programming algorithm is proposed in this paper to solve the continuous-time, unknown nonlinear ZSG with only online data. A model-free approach to the Hamilton-Jacobi-Isaacs equation is developed based on the policy iteration method. Control and disturbance policies and value are approximated by neural networks (NNs) under the critic-actor-disturber structure. The NN weights are solved by the least-squares method. According to the theoretical analysis, our algorithm is equivalent to a Gauss-Newton method solving an optimization problem, and it converges uniformly to the optimal solution. The online data can also be used repeatedly, which is highly efficient. Simulation results demonstrate its feasibility to solve the unknown nonlinear ZSG. When compared with other algorithms, it saves a significant amount of online measurement time.

Forebody and base region real gas flow in severe planetary entry by a factored implicit numerical method. II - Equilibrium reactive gas

NASA Technical Reports Server (NTRS)

Davy, W. C.; Green, M. J.; Lombard, C. K.

1981-01-01

The factored-implicit, gas-dynamic algorithm has been adapted to the numerical simulation of equilibrium reactive flows. Changes required in the perfect gas version of the algorithm are developed, and the method of coupling gas-dynamic and chemistry variables is discussed. A flow-field solution that approximates a Jovian entry case was obtained by this method and compared with the same solution obtained by HYVIS, a computer program much used for the study of planetary entry. Comparison of surface pressure distribution and stagnation line shock-layer profiles indicates that the two solutions agree well.

Nonlinear dynamic macromodeling techniques for audio systems

NASA Astrophysics Data System (ADS)

Ogrodzki, Jan; Bieńkowski, Piotr

2015-09-01

This paper develops a modelling method and a models identification technique for the nonlinear dynamic audio systems. Identification is performed by means of a behavioral approach based on a polynomial approximation. This approach makes use of Discrete Fourier Transform and Harmonic Balance Method. A model of an audio system is first created and identified and then it is simulated in real time using an algorithm of low computational complexity. The algorithm consists in real time emulation of the system response rather than in simulation of the system itself. The proposed software is written in Python language using object oriented programming techniques. The code is optimized for a multithreads environment.

Multitasking the code ARC3D. [for computational fluid dynamics

NASA Technical Reports Server (NTRS)

Barton, John T.; Hsiung, Christopher C.

1986-01-01

The CRAY multitasking system was developed in order to utilize all four processors and sharply reduce the wall clock run time. This paper describes the techniques used to modify the computational fluid dynamics code ARC3D for this run and analyzes the achieved speedup. The ARC3D code solves either the Euler or thin-layer N-S equations using an implicit approximate factorization scheme. Results indicate that multitask processing can be used to achieve wall clock speedup factors of over three times, depending on the nature of the program code being used. Multitasking appears to be particularly advantageous for large-memory problems running on multiple CPU computers.

Adaptive dynamic programming for finite-horizon optimal control of discrete-time nonlinear systems with ε-error bound.

PubMed

Wang, Fei-Yue; Jin, Ning; Liu, Derong; Wei, Qinglai

2011-01-01

In this paper, we study the finite-horizon optimal control problem for discrete-time nonlinear systems using the adaptive dynamic programming (ADP) approach. The idea is to use an iterative ADP algorithm to obtain the optimal control law which makes the performance index function close to the greatest lower bound of all performance indices within an ε-error bound. The optimal number of control steps can also be obtained by the proposed ADP algorithms. A convergence analysis of the proposed ADP algorithms in terms of performance index function and control policy is made. In order to facilitate the implementation of the iterative ADP algorithms, neural networks are used for approximating the performance index function, computing the optimal control policy, and modeling the nonlinear system. Finally, two simulation examples are employed to illustrate the applicability of the proposed method.

Developmental Programming: Prenatal and Postnatal Androgen Antagonist and Insulin Sensitizer Interventions Prevent Advancement of Puberty and Improve LH Surge Dynamics in Prenatal Testosterone-Treated Sheep

PubMed Central

Veiga-Lopez, Almudena; Herkimer, Carol; Abi Salloum, Bachir; Moeller, Jacob; Beckett, Evan; Sreedharan, Rohit

2015-01-01

Prenatal T excess induces maternal hyperinsulinemia, early puberty, and reproductive/metabolic defects in the female similar to those seen in women with polycystic ovary syndrome. This study addressed the organizational/activational role of androgens and insulin in programming pubertal advancement and periovulatory LH surge defects. Treatment groups included the following: 1) control; 2) prenatal T; 3) prenatal T plus prenatal androgen antagonist, flutamide; 4) prenatal T plus prenatal insulin sensitizer, rosiglitazone; 5) prenatal T and postnatal flutamide; 6) prenatal T and postnatal rosiglitazone; and 7) prenatal T and postnatal metformin. Prenatal treatments spanned 30–90 days of gestation and postnatal treatments began at approximately 8 weeks of age and continued throughout. Blood samples were taken twice weekly, beginning at approximately 12 weeks of age to time puberty. Two-hour samples after the synchronization with prostaglandin F2α were taken for 120 hours to characterize LH surge dynamics at 7 and 19 months of age. Prenatal T females entered puberty earlier than controls, and all interventions prevented this advancement. Prenatal T reduced the percentage of animals having LH surge, and females that presented LH surge exhibited delayed timing and dampened amplitude of the LH surge. Prenatal androgen antagonist, but not other interventions, restored LH surges without normalizing the timing of the surge. Normalization of pubertal timing with prenatal/postnatal androgen antagonist and insulin sensitizer interventions suggests that pubertal advancement is programmed by androgenic actions of T involving insulin as a mediary. Restoration of LH surges by cotreatment with androgen antagonist supports androgenic programming at the organizational level. PMID:25919188

Developmental Programming: Prenatal and Postnatal Androgen Antagonist and Insulin Sensitizer Interventions Prevent Advancement of Puberty and Improve LH Surge Dynamics in Prenatal Testosterone-Treated Sheep.

PubMed

Padmanabhan, Vasantha; Veiga-Lopez, Almudena; Herkimer, Carol; Abi Salloum, Bachir; Moeller, Jacob; Beckett, Evan; Sreedharan, Rohit

2015-07-01

Prenatal T excess induces maternal hyperinsulinemia, early puberty, and reproductive/metabolic defects in the female similar to those seen in women with polycystic ovary syndrome. This study addressed the organizational/activational role of androgens and insulin in programming pubertal advancement and periovulatory LH surge defects. Treatment groups included the following: 1) control; 2) prenatal T; 3) prenatal T plus prenatal androgen antagonist, flutamide; 4) prenatal T plus prenatal insulin sensitizer, rosiglitazone; 5) prenatal T and postnatal flutamide; 6) prenatal T and postnatal rosiglitazone; and 7) prenatal T and postnatal metformin. Prenatal treatments spanned 30-90 days of gestation and postnatal treatments began at approximately 8 weeks of age and continued throughout. Blood samples were taken twice weekly, beginning at approximately 12 weeks of age to time puberty. Two-hour samples after the synchronization with prostaglandin F2α were taken for 120 hours to characterize LH surge dynamics at 7 and 19 months of age. Prenatal T females entered puberty earlier than controls, and all interventions prevented this advancement. Prenatal T reduced the percentage of animals having LH surge, and females that presented LH surge exhibited delayed timing and dampened amplitude of the LH surge. Prenatal androgen antagonist, but not other interventions, restored LH surges without normalizing the timing of the surge. Normalization of pubertal timing with prenatal/postnatal androgen antagonist and insulin sensitizer interventions suggests that pubertal advancement is programmed by androgenic actions of T involving insulin as a mediary. Restoration of LH surges by cotreatment with androgen antagonist supports androgenic programming at the organizational level.

Reinforcement learning for partially observable dynamic processes: adaptive dynamic programming using measured output data.

PubMed

Lewis, F L; Vamvoudakis, Kyriakos G

2011-02-01

Approximate dynamic programming (ADP) is a class of reinforcement learning methods that have shown their importance in a variety of applications, including feedback control of dynamical systems. ADP generally requires full information about the system internal states, which is usually not available in practical situations. In this paper, we show how to implement ADP methods using only measured input/output data from the system. Linear dynamical systems with deterministic behavior are considered herein, which are systems of great interest in the control system community. In control system theory, these types of methods are referred to as output feedback (OPFB). The stochastic equivalent of the systems dealt with in this paper is a class of partially observable Markov decision processes. We develop both policy iteration and value iteration algorithms that converge to an optimal controller that requires only OPFB. It is shown that, similar to Q -learning, the new methods have the important advantage that knowledge of the system dynamics is not needed for the implementation of these learning algorithms or for the OPFB control. Only the order of the system, as well as an upper bound on its "observability index," must be known. The learned OPFB controller is in the form of a polynomial autoregressive moving-average controller that has equivalent performance with the optimal state variable feedback gain.

Understanding the role of spin-motion coupling in Ramsey spectroscopy

NASA Astrophysics Data System (ADS)

Koller, Andrew; Beverland, Michael; Mundinger, Joshua; Gorshkov, Alexey; Rey, Ana Maria

2014-05-01

Ramsey spectroscopy has become a powerful technique for probing non-equilibrium dynamics of internal (pseudospin) degrees of freedom of interacting systems. In many theoretical treatments, the key to understanding the dynamics has been to assume the external (motional) degrees of freedom are decoupled from the pseudospin degrees of freedom. Determining the validity of this approximation - known as the spin model approximation - has not been addressed in detail. We shed light in this direction by calculating Ramsey dynamics exactly for two interacting spin-1/2 particles in a harmonic trap. We find that in 1D the spin model assumption works well over a wide range of experimentally-relevant conditions, but can fail at time scales longer than those set by the mean interaction energy. Surprisingly, in 2D a modified version of the spin model is exact to first order in the interaction strength. This analysis is important for a correct interpretation of Ramsey spectroscopy and has broad applications ranging from precision measurements to quantum information and to fundamental probes of many-body systems. Supported by NSF, ARO-DARPA-OLE, AFOSR, NIST, the Lee A. DuBridge and Gordon and Betty Moore Foundations, and the NDSEG program.

In silico FRET from simulated dye dynamics

NASA Astrophysics Data System (ADS)

Hoefling, Martin; Grubmüller, Helmut

2013-03-01

Single molecule fluorescence resonance energy transfer (smFRET) experiments probe molecular distances on the nanometer scale. In such experiments, distances are recorded from FRET transfer efficiencies via the Förster formula, E=1/(1+(). The energy transfer however also depends on the mutual orientation of the two dyes used as distance reporter. Since this information is typically inaccessible in FRET experiments, one has to rely on approximations, which reduce the accuracy of these distance measurements. A common approximation is an isotropic and uncorrelated dye orientation distribution. To assess the impact of such approximations, we present the algorithms and implementation of a computational toolkit for the simulation of smFRET on the basis of molecular dynamics (MD) trajectory ensembles. In this study, the dye orientation dynamics, which are used to determine dynamic FRET efficiencies, are extracted from MD simulations. In a subsequent step, photons and bursts are generated using a Monte Carlo algorithm. The application of the developed toolkit on a poly-proline system demonstrated good agreement between smFRET simulations and experimental results and therefore confirms our computational method. Furthermore, it enabled the identification of the structural basis of measured heterogeneity. The presented computational toolkit is written in Python, available as open-source, applicable to arbitrary systems and can easily be extended and adapted to further problems. Catalogue identifier: AENV_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AENV_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPLv3, the bundled SIMD friendly Mersenne twister implementation [1] is provided under the SFMT-License. No. of lines in distributed program, including test data, etc.: 317880 No. of bytes in distributed program, including test data, etc.: 54774217 Distribution format: tar.gz Programming language: Python, Cython, C (ANSI C99). Computer: Any (see memory requirements). Operating system: Any OS with CPython distribution (e.g. Linux, MacOSX, Windows). Has the code been vectorised or parallelized?: Yes, in Ref. [2], 4 CPU cores were used. RAM: About 700MB per process for the simulation setup in Ref. [2]. Classification: 16.1, 16.7, 23. External routines: Calculation of Rκ2-trajectories from GROMACS [3] MD trajectories requires the GromPy Python module described in Ref. [4] or a GROMACS 4.6 installation. The md2fret program uses a standard Python interpreter (CPython) v2.6+ and < v3.0 as well as the NumPy module. The analysis examples require the Matplotlib Python module. Nature of problem: Simulation and interpretation of single molecule FRET experiments. Solution method: Combination of force-field based molecular dynamics (MD) simulating the dye dynamics and Monte Carlo sampling to obtain photon statistics of FRET kinetics. Additional comments: !!!!! The distribution file for this program is over 50 Mbytes and therefore is not delivered directly when download or Email is requested. Instead a html file giving details of how the program can be obtained is sent. !!!!! Running time: A single run in Ref. [2] takes about 10 min on a Quad Core Intel Xeon CPU W3520 2.67GHz with 6GB physical RAM References: [1] M. Saito, M. Matsumoto, SIMD-oriented fast Mersenne twister: a 128-bit pseudorandom number generator, in: A. Keller, S. Heinrich, H. Niederreiter (Eds.), Monte Carlo and Quasi-Monte Carlo Methods 2006, Springer; Berlin, Heidelberg, 2008, pp. 607-622. [2] M. Hoefling, N. Lima, D. Hänni, B. Schuler, C. A. M. Seidel, H. Grubmüller, Structural heterogeneity and quantitative FRET efficiency distributions of polyprolines through a hybrid atomistic simulation and Monte Carlo approach, PLoS ONE 6 (5) (2011) e19791. [3] D. V. D. Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark, H. J. C. Berendsen, GROMACS: fast, flexible, and free., J Comput Chem 26 (16) (2005) 1701-1718. [4] R. Pool, A. Feenstra, M. Hoefling, R. Schulz, J. C. Smith, J. Heringa, Enabling grand-canonical Monte Carlo: Extending the flexibility of gromacs through the GromPy Python interface module, Journal of Chemical Theory and Computation 33 (12) (2012) 1207-1214.

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

NASA Technical Reports Server (NTRS)

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

1992-01-01

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

Finite-horizon differential games for missile-target interception system using adaptive dynamic programming with input constraints

NASA Astrophysics Data System (ADS)

Sun, Jingliang; Liu, Chunsheng

2018-01-01

In this paper, the problem of intercepting a manoeuvring target within a fixed final time is posed in a non-linear constrained zero-sum differential game framework. The Nash equilibrium solution is found by solving the finite-horizon constrained differential game problem via adaptive dynamic programming technique. Besides, a suitable non-quadratic functional is utilised to encode the control constraints into a differential game problem. The single critic network with constant weights and time-varying activation functions is constructed to approximate the solution of associated time-varying Hamilton-Jacobi-Isaacs equation online. To properly satisfy the terminal constraint, an additional error term is incorporated in a novel weight-updating law such that the terminal constraint error is also minimised over time. By utilising Lyapunov's direct method, the closed-loop differential game system and the estimation weight error of the critic network are proved to be uniformly ultimately bounded. Finally, the effectiveness of the proposed method is demonstrated by using a simple non-linear system and a non-linear missile-target interception system, assuming first-order dynamics for the interceptor and target.

Fast engineering optimization: A novel highly effective control parameterization approach for industrial dynamic processes.

PubMed

Liu, Ping; Li, Guodong; Liu, Xinggao

2015-09-01

Control vector parameterization (CVP) is an important approach of the engineering optimization for the industrial dynamic processes. However, its major defect, the low optimization efficiency caused by calculating the relevant differential equations in the generated nonlinear programming (NLP) problem repeatedly, limits its wide application in the engineering optimization for the industrial dynamic processes. A novel highly effective control parameterization approach, fast-CVP, is first proposed to improve the optimization efficiency for industrial dynamic processes, where the costate gradient formulae is employed and a fast approximate scheme is presented to solve the differential equations in dynamic process simulation. Three well-known engineering optimization benchmark problems of the industrial dynamic processes are demonstrated as illustration. The research results show that the proposed fast approach achieves a fine performance that at least 90% of the computation time can be saved in contrast to the traditional CVP method, which reveals the effectiveness of the proposed fast engineering optimization approach for the industrial dynamic processes. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

WavePacket: A Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations

NASA Astrophysics Data System (ADS)

Schmidt, Burkhard; Lorenz, Ulf

2017-04-01

WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schrödinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. The graphical capabilities allow visualization of quantum dynamics 'on the fly', including Wigner phase space representations. Being easy to use and highly versatile, WavePacket is well suited for the teaching of quantum mechanics as well as for research projects in atomic, molecular and optical physics or in physical or theoretical chemistry. The present Part I deals with the description of closed quantum systems in terms of Schrödinger equations. The emphasis is on discrete variable representations for spatial discretization as well as various techniques for temporal discretization. The upcoming Part II will focus on open quantum systems and dimension reduction; it also describes the codes for optimal control of quantum dynamics. The present work introduces the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge platform, where extensive Wiki-documentation as well as worked-out demonstration examples can be found.

Development of the reentry flight dynamics simulator for evaluation of space shuttle orbiter entry systems

NASA Technical Reports Server (NTRS)

Rowell, L. F.; Powell, R. W.; Stone, H. W., Jr.

1980-01-01

A nonlinear, six degree of freedom, digital computer simulation of a vehicle which has constant mass properties and whose attitudes are controlled by both aerodynamic surfaces and reaction control system thrusters was developed. A rotating, oblate Earth model was used to describe the gravitational forces which affect long duration Earth entry trajectories. The program is executed in a nonreal time mode or connected to a simulation cockpit to conduct piloted and autopilot studies. The program guidance and control software used by the space shuttle orbiter for its descent from approximately 121.9 km to touchdown on the runway.

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.

Autonomous vehicle motion control, approximate maps, and fuzzy logic

NASA Technical Reports Server (NTRS)

Ruspini, Enrique H.

1993-01-01

Progress on research on the control of actions of autonomous mobile agents using fuzzy logic is presented. The innovations described encompass theoretical and applied developments. At the theoretical level, results of research leading to the combined utilization of conventional artificial planning techniques with fuzzy logic approaches for the control of local motion and perception actions are presented. Also formulations of dynamic programming approaches to optimal control in the context of the analysis of approximate models of the real world are examined. Also a new approach to goal conflict resolution that does not require specification of numerical values representing relative goal importance is reviewed. Applied developments include the introduction of the notion of approximate map. A fuzzy relational database structure for the representation of vague and imprecise information about the robot's environment is proposed. Also the central notions of control point and control structure are discussed.

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.

First Scientific Working Group Meeting of Airborne Doppler Lidar Wind Velocity Measurement Program

NASA Technical Reports Server (NTRS)

Kaufman, J. W. (Editor)

1980-01-01

The purpose of the first scientific working group meeting was fourfold: (1) to identify flight test options for engineering verification of the MSFC Doppler Lidar; (2) to identify flight test options for gathering data for scientific/technology applications; (3) to identify additional support equipment needed on the CV 990 aircraft for the flight tests; and (4) to identify postflight data processing and data sets requirements. The working group identified approximately ten flight options for gathering data on atmospheric dynamics processes, including turbulence, valley breezes, and thunderstorm cloud anvil and cold air outflow dynamics. These test options will be used as a basis for planning the fiscal year 1981 tests of the Doppler Lidar system.

Packet Radio Temporary Note Index.

DTIC Science & Technology

1984-05-07

Dynamic Control in Carrier Sense Multiple Access 180 Cross-Radio Debugger Beeler 06/76 BBN 179 New Capabilities of the PR Gitman 05/76 NAC Simulation...Program 178 An Approximate Analytical Model for Gitman 05/76 NAC Initialization of Single Hop PRNETs 177 SPP Definition Beeler 04/76 BBN 176 PR Protocol...Sussman 03/79 BBN Labeling Process (Revision 7) 173 Interfacing Terminals to the PRN Fralick 04/76 BBN 172 Connectivity Issues in Mobile PR Gitman 03/76

Naval Research Logistics Quarterly. Volume 28, Number 4,

DTIC Science & Technology

1981-12-01

Fan [31 and an observation by Meijerink and van der Vorst [181 guarantee that after pivoting on any diagonal element of a diagonally dominant M- matrix...Science, 3, 255-269 (1957). 1181 Meijerink, J. and H. Van der Vorst, "An Iterative Solution Method for Linear Systems of which the Coefficient Matrix Is a...Hee, K., A. Hordijk and J. Van der Wal, "Successive Approximations for Convergent Dynamic Programming," in Markov Decision Theory, H. Tijms and J

A single network adaptive critic (SNAC) architecture for optimal control synthesis for a class of nonlinear systems.

PubMed

Padhi, Radhakant; Unnikrishnan, Nishant; Wang, Xiaohua; Balakrishnan, S N

2006-12-01

Even though dynamic programming offers an optimal control solution in a state feedback form, the method is overwhelmed by computational and storage requirements. Approximate dynamic programming implemented with an Adaptive Critic (AC) neural network structure has evolved as a powerful alternative technique that obviates the need for excessive computations and storage requirements in solving optimal control problems. In this paper, an improvement to the AC architecture, called the "Single Network Adaptive Critic (SNAC)" is presented. This approach is applicable to a wide class of nonlinear systems where the optimal control (stationary) equation can be explicitly expressed in terms of the state and costate variables. The selection of this terminology is guided by the fact that it eliminates the use of one neural network (namely the action network) that is part of a typical dual network AC setup. As a consequence, the SNAC architecture offers three potential advantages: a simpler architecture, lesser computational load and elimination of the approximation error associated with the eliminated network. In order to demonstrate these benefits and the control synthesis technique using SNAC, two problems have been solved with the AC and SNAC approaches and their computational performances are compared. One of these problems is a real-life Micro-Electro-Mechanical-system (MEMS) problem, which demonstrates that the SNAC technique is applicable to complex engineering systems.

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice

NASA Astrophysics Data System (ADS)

Willatt, Michael J.; Ceriotti, Michele; Althorpe, Stuart C.

2018-03-01

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice.

PubMed

Willatt, Michael J; Ceriotti, Michele; Althorpe, Stuart C

2018-03-14

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

A method for solution of the Euler-Bernoulli beam equation in flexible-link robotic systems

NASA Technical Reports Server (NTRS)

Tzes, Anthony P.; Yurkovich, Stephen; Langer, F. Dieter

1989-01-01

An efficient numerical method for solving the partial differential equation (PDE) governing the flexible manipulator control dynamics is presented. A finite-dimensional model of the equation is obtained through discretization in both time and space coordinates by using finite-difference approximations to the PDE. An expert program written in the Macsyma symbolic language is utilized in order to embed the boundary conditions into the program, accounting for a mass carried at the tip of the manipulator. The advantages of the proposed algorithm are many, including the ability to (1) include any distributed actuation term in the partial differential equation, (2) provide distributed sensing of the beam displacement, (3) easily modify the boundary conditions through an expert program, and (4) modify the structure for running under a multiprocessor environment.

Dynamic approximate entropy electroanatomic maps detect rotors in a simulated atrial fibrillation model.

PubMed

Ugarte, Juan P; Orozco-Duque, Andrés; Tobón, Catalina; Kremen, Vaclav; Novak, Daniel; Saiz, Javier; Oesterlein, Tobias; Schmitt, Clauss; Luik, Armin; Bustamante, John

2014-01-01

There is evidence that rotors could be drivers that maintain atrial fibrillation. Complex fractionated atrial electrograms have been located in rotor tip areas. However, the concept of electrogram fractionation, defined using time intervals, is still controversial as a tool for locating target sites for ablation. We hypothesize that the fractionation phenomenon is better described using non-linear dynamic measures, such as approximate entropy, and that this tool could be used for locating the rotor tip. The aim of this work has been to determine the relationship between approximate entropy and fractionated electrograms, and to develop a new tool for rotor mapping based on fractionation levels. Two episodes of chronic atrial fibrillation were simulated in a 3D human atrial model, in which rotors were observed. Dynamic approximate entropy maps were calculated using unipolar electrogram signals generated over the whole surface of the 3D atrial model. In addition, we optimized the approximate entropy calculation using two real multi-center databases of fractionated electrogram signals, labeled in 4 levels of fractionation. We found that the values of approximate entropy and the levels of fractionation are positively correlated. This allows the dynamic approximate entropy maps to localize the tips from stable and meandering rotors. Furthermore, we assessed the optimized approximate entropy using bipolar electrograms generated over a vicinity enclosing a rotor, achieving rotor detection. Our results suggest that high approximate entropy values are able to detect a high level of fractionation and to locate rotor tips in simulated atrial fibrillation episodes. We suggest that dynamic approximate entropy maps could become a tool for atrial fibrillation rotor mapping.

Dynamic Modelling for Planar Extensible Continuum Robot Manipulators

DTIC Science & Technology

2006-01-01

5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7... octopus arm [18]. The OCTARM, shown in Figure 1, is a three-section robot with nine degrees of freedom. Aside from two axis bending with constant... octopus arm. However, while allowing extensibility, the model is based on an approximation (by a Þnite number of linear models) to the true continuum

Modification of the short straight sections of the high energy booster of the SSC

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

Li, M.; Johnson, D.; Kocur, P.

1993-05-01

The tracking analysis with the High Energy Booster (HEB) of the Superconducting Super Collider (SSC) indicated that the machine dynamic aperture for the current lattice (Rev 0 lattice) was limited by the quadrupoles in the short straight sections. A new lattice, Rev 1, with modified short straight sections was proposed. The results of tracking the two lattices up to 5 [times] 10[sup 5] turns (20 seconds at the injection energy) with various random seeds are presented in this paper. The new lattice has increased dynamic aperture from [approximately]7 mm to [approximately]8 mm, increases the abort kicker effectiveness, and eliminates onemore » family (length) of main quadrupoles. The code DIMAD was used for matching the new short straight sections to the ring. The code TEAPOT was used for the short term tracking and to create a machine file, zfile, which could in turn be used to generate a one-turn map with the ZLIB for fast long-term tracking using a symplectic one-turn map tracking program ZIMAPTRK.« less

Modification of the short straight sections of the high energy booster of the SSC

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

Li, M.; Johnson, D.; Kocur, P.

1993-05-01

The tracking analysis with the High Energy Booster (HEB) of the Superconducting Super Collider (SSC) indicated that the machine dynamic aperture for the current lattice (Rev 0 lattice) was limited by the quadrupoles in the short straight sections. A new lattice, Rev 1, with modified short straight sections was proposed. The results of tracking the two lattices up to 5 {times} 10{sup 5} turns (20 seconds at the injection energy) with various random seeds are presented in this paper. The new lattice has increased dynamic aperture from {approximately}7 mm to {approximately}8 mm, increases the abort kicker effectiveness, and eliminates onemore » family (length) of main quadrupoles. The code DIMAD was used for matching the new short straight sections to the ring. The code TEAPOT was used for the short term tracking and to create a machine file, zfile, which could in turn be used to generate a one-turn map with the ZLIB for fast long-term tracking using a symplectic one-turn map tracking program ZIMAPTRK.« less

A real-time approximate optimal guidance law for flight in a plane

NASA Technical Reports Server (NTRS)

Feeley, Timothy S.; Speyer, Jason L.

1990-01-01

A real-time guidance scheme is presented for the problem of maximizing the payload into orbit subject to the equations of motion of a rocket over a nonrotating spherical earth. The flight is constrained to a path in the equatorial plane while reaching an orbital altitude at orbital injection speeds. The dynamics of the problem can be separated into primary and perturbation effects by a small parameter, epsilon, which is the ratio of the atmospheric scale height to the radius of the earth. The Hamilton-Jacobi-Bellman or dynamic programming equation is expanded in an asymptotic series where the zeroth-order term (epsilon = 0) can be obtained in closed form. The neglected perturbation terms are included in the higher-order terms of the expansion, which are determined from the solution of first-order linear partial differential equations requiring only integrations which are quadratures. The quadratures can be performed rapidly with emerging computer capability, so that real-time approximate optimization can be used to construct the launch guidance law. The application of this technique to flight in three-dimensions is made apparent from the solution presented.

Value Iteration Adaptive Dynamic Programming for Optimal Control of Discrete-Time Nonlinear Systems.

PubMed

Wei, Qinglai; Liu, Derong; Lin, Hanquan

2016-03-01

In this paper, a value iteration adaptive dynamic programming (ADP) algorithm is developed to solve infinite horizon undiscounted optimal control problems for discrete-time nonlinear systems. The present value iteration ADP algorithm permits an arbitrary positive semi-definite function to initialize the algorithm. A novel convergence analysis is developed to guarantee that the iterative value function converges to the optimal performance index function. Initialized by different initial functions, it is proven that the iterative value function will be monotonically nonincreasing, monotonically nondecreasing, or nonmonotonic and will converge to the optimum. In this paper, for the first time, the admissibility properties of the iterative control laws are developed for value iteration algorithms. It is emphasized that new termination criteria are established to guarantee the effectiveness of the iterative control laws. Neural networks are used to approximate the iterative value function and compute the iterative control law, respectively, for facilitating the implementation of the iterative ADP algorithm. Finally, two simulation examples are given to illustrate the performance of the present method.

Adaptive critic learning techniques for engine torque and air-fuel ratio control.

PubMed

Liu, Derong; Javaherian, Hossein; Kovalenko, Olesia; Huang, Ting

2008-08-01

A new approach for engine calibration and control is proposed. In this paper, we present our research results on the implementation of adaptive critic designs for self-learning control of automotive engines. A class of adaptive critic designs that can be classified as (model-free) action-dependent heuristic dynamic programming is used in this research project. The goals of the present learning control design for automotive engines include improved performance, reduced emissions, and maintained optimum performance under various operating conditions. Using the data from a test vehicle with a V8 engine, we developed a neural network model of the engine and neural network controllers based on the idea of approximate dynamic programming to achieve optimal control. We have developed and simulated self-learning neural network controllers for both engine torque (TRQ) and exhaust air-fuel ratio (AFR) control. The goal of TRQ control and AFR control is to track the commanded values. For both control problems, excellent neural network controller transient performance has been achieved.

Replacement model of city bus: A dynamic programming approach

NASA Astrophysics Data System (ADS)

Arifin, Dadang; Yusuf, Edhi

2017-06-01

This paper aims to develop a replacement model of city bus vehicles operated in Bandung City. This study is driven from real cases encountered by the Damri Company in the efforts to improve services to the public. The replacement model propounds two policy alternatives: First, to maintain or keep the vehicles, and second is to replace them with new ones taking into account operating costs, revenue, salvage value, and acquisition cost of a new vehicle. A deterministic dynamic programming approach is used to solve the model. The optimization process was heuristically executed using empirical data of Perum Damri. The output of the model is to determine the replacement schedule and the best policy if the vehicle has passed the economic life. Based on the results, the technical life of the bus is approximately 20 years old, while the economic life is an average of 9 (nine) years. It means that after the bus is operated for 9 (nine) years, managers should consider the policy of rejuvenation.

Verification of Java Programs using Symbolic Execution and Invariant Generation

NASA Technical Reports Server (NTRS)

Pasareanu, Corina; Visser, Willem

2004-01-01

Software verification is recognized as an important and difficult problem. We present a norel framework, based on symbolic execution, for the automated verification of software. The framework uses annotations in the form of method specifications an3 loop invariants. We present a novel iterative technique that uses invariant strengthening and approximation for discovering these loop invariants automatically. The technique handles different types of data (e.g. boolean and numeric constraints, dynamically allocated structures and arrays) and it allows for checking universally quantified formulas. Our framework is built on top of the Java PathFinder model checking toolset and it was used for the verification of several non-trivial Java programs.

The derivation and approximation of coarse-grained dynamics from Langevin dynamics

NASA Astrophysics Data System (ADS)

Ma, Lina; Li, Xiantao; Liu, Chun

2016-11-01

We present a derivation of a coarse-grained description, in the form of a generalized Langevin equation, from the Langevin dynamics model that describes the dynamics of bio-molecules. The focus is placed on the form of the memory kernel function, the colored noise, and the second fluctuation-dissipation theorem that connects them. Also presented is a hierarchy of approximations for the memory and random noise terms, using rational approximations in the Laplace domain. These approximations offer increasing accuracy. More importantly, they eliminate the need to evaluate the integral associated with the memory term at each time step. Direct sampling of the colored noise can also be avoided within this framework. Therefore, the numerical implementation of the generalized Langevin equation is much more efficient.

How was the UNAIDS drug access initiative implemented in Chile?

PubMed Central

Brousselle, Astrid; Champagne, François

2012-01-01

In 1997, UNAIDS decided to implement Drug Access Initiatives (DAI) in four different pilot-countries. We studied the implementation of the DAI in Chile as part of the evaluation program conducted by the ‘Agence Nationale de Recherche sur le SIDA’ (ANRS/France). The objective was to understand how the politico-organizational dynamic influenced the implementation process of the DAI. Approximately 50 semi-directed interviews and observation activities were conducted with the actors who participated in the implementation of the DAI or who played a role in the HIV/AIDS context. The program theory models were established and their evolution analyzed. This article offers an original analysis of an international HIV/AIDS drug access program that was put in place at a time when such programs were seen as a priority by international and governmental institutions. It also offers some insights for the creation of international projects that will be locally implemented. PMID:23230344

Characterization of chaotic dynamics in the human menstrual cycle

NASA Astrophysics Data System (ADS)

Derry, Gregory; Derry, Paula

2010-03-01

The human menstrual cycle exhibits much unexplained variability, which is typically dismissed as random variation. Given the many delayed nonlinear feedbacks in the reproductive endocrine system, however, the menstrual cycle might well be a nonlinear dynamical system in a chaotic trajectory, and that this instead accounts for the observed variability. Here, we test this hypothesis by performing a time series analysis on data for 7438 menstrual cycles from 38 women in the 20-40 year age range, using the database maintained by the Tremin Research Program on Women's Health. Using phase space reconstruction techniques with a maximum embedding dimension of 6, we find appropriate scaling behavior in the correlation sums for this data, indicating low dimensional deterministic dynamics. A correlation dimension of 2.6 is measured in this scaling regime, and this result is confirmed by recalculation using the Takens estimator. These results may be interpreted as offering an approximation to the fractal dimension of a strange attractor governing the chaotic dynamics of the menstrual cycle.

Impact of nearest-neighbor repulsion on superconducting pairing in 2D extended Hubbard model

NASA Astrophysics Data System (ADS)

Jiang, Mi; Hahner, U. R.; Maier, T. A.; Schulthess, T. C.

Using dynamical cluster approximation (DCA) with an continuous-time QMC solver for the two-dimensional extended Hubbard model, we studied the impact of nearest-neighbor Coulomb repulsion V on d-wave superconducting pairing dynamics. By solving Bethe-Salpeter equation for particle-particle superconducting channel, we focused on the evolution of leading d-wave eigenvalue with V and the momentum and frequency dependence of the corresponding eigenfunction. The comparison with the evolution of both spin and charge susceptibilities versus V is presented showing the competition between spin and charge fluctuations. This research received generous support from the MARVEL NCCR and used resources of the Swiss National Supercomputing Center, as well as (INCITE) program in Oak Ridge Leadership Computing Facility.

Stream restoration in dynamic fluvial systems: Scientific approaches, analyses, and tools

NASA Astrophysics Data System (ADS)

Schultz, Colin

2012-04-01

In the United States the average annual investment in river restoration programs is approximately $1 billion. Despite this burgeoning industry, the National Water Quality Inventory, which tracks the health of the nation's rivers, has shown no serious improvement in cumulative river health since the early 1990s. In the AGU monographStream Restoration in Dynamic Fluvial Systems: Scientific Approaches, Analyses, and Tools, editors Andrew Simon, Sean J. Bennett, and Janine M. Castro pull together the latest evidence-based understanding of stream restoration practices, with an aim of guiding the further development of the field and helping to right its apparently unsuccessful course. In this interview, Eos talks to Sean J. Bennett, University of Buffalo, about the culture, practice, and promise of restoring rivers.

Forced canonical thermalization in a hadronic transport approach at high density

NASA Astrophysics Data System (ADS)

Oliinychenko, Dmytro; Petersen, Hannah

2017-03-01

Hadronic transport approaches based on an effective solution of the relativistic Boltzmann equation are widely applied for the dynamical description of heavy ion reactions at low beam energies. At high densities, the assumption of binary interactions often used in hadronic transport approaches may not be applicable anymore. Therefore, we effectively simulate the high-density regime using the local forced canonical thermalization. This framework provides the opportunity to interpolate in a dynamical way between two different limits of kinetic theory: the dilute gas approximation and the ideal fluid case. This approach will be important for studies of the dynamical evolution of heavy ion collisions at low and intermediate energies as experimentally investigated at the beam energy scan program at RHIC, and in the future at FAIR and NICA. On the other hand, this new way of modeling hot and dense strongly interacting matter might be relevant for small systems at high energies (LHC and RHIC) as well.

Analysis of dynamic system response to product random processes

NASA Technical Reports Server (NTRS)

Sidwell, K.

1978-01-01

The response of dynamic systems to the product of two independent Gaussian random processes is developed by use of the Fokker-Planck and associated moment equations. The development is applied to the amplitude modulated process which is used to model atmospheric turbulence in aeronautical applications. The exact solution for the system response is compared with the solution obtained by the quasi-steady approximation which omits the dynamic properties of the random amplitude modulation. The quasi-steady approximation is valid as a limiting case of the exact solution for the dynamic response of linear systems to amplitude modulated processes. In the nonlimiting case the quasi-steady approximation can be invalid for dynamic systems with low damping.

Use of the Violence Risk Scale-Sexual Offender Version and the Stable 2007 to assess dynamic sexual violence risk in a sample of treated sexual offenders.

PubMed

Sowden, Justina N; Olver, Mark E

2017-03-01

The present study provides an examination of dynamic sexual violence risk featuring the Stable-2007 (Hanson, Harris, Scott, & Helmus, 2007) and the Violence Risk Scale-Sexual Offender version (VRS-SO; Wong, Olver, Nicholaichuk, & Gordon, 2003) in a Canadian sample of 180 federally incarcerated sexual offenders who attended a high-intensity sexual offender treatment program. Archival pretreatment and posttreatment ratings were completed on the VRS-SO and Stable-2007, and recidivism data were obtained from official criminal records, with the sample being followed up approximately 10 years postrelease. VRS-SO pre- and posttreatment dynamic scores demonstrated significant predictive accuracy for sexual, nonsexual violent, any violent (including sexual), and general recidivism, while Stable-2007 pre- and posttreatment scores were significantly associated with the latter 3 outcomes; these associations were maintained after controlling for the Static-99R (Helmus, Thornton, Hanson, & Babchishin, 2012). Finally, significant pre-post differences, amounting to approximately three quarters of a standard deviation, were found on Stable-2007 and VRS-SO scores. VRS-SO change scores were significantly associated with reductions in nonsexual violent, any violent, and general recidivism (but not sexual recidivism) after controlling for baseline risk or pretreatment score, while Stable-2007 change scores did not significantly predict reductions in any recidivism outcomes. Applications of these tools within the context of dynamic sexual violence risk assessment incorporating the use of change information are discussed. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Dynamic Approximate Entropy Electroanatomic Maps Detect Rotors in a Simulated Atrial Fibrillation Model

PubMed Central

Ugarte, Juan P.; Orozco-Duque, Andrés; Tobón, Catalina; Kremen, Vaclav; Novak, Daniel; Saiz, Javier; Oesterlein, Tobias; Schmitt, Clauss; Luik, Armin; Bustamante, John

2014-01-01

There is evidence that rotors could be drivers that maintain atrial fibrillation. Complex fractionated atrial electrograms have been located in rotor tip areas. However, the concept of electrogram fractionation, defined using time intervals, is still controversial as a tool for locating target sites for ablation. We hypothesize that the fractionation phenomenon is better described using non-linear dynamic measures, such as approximate entropy, and that this tool could be used for locating the rotor tip. The aim of this work has been to determine the relationship between approximate entropy and fractionated electrograms, and to develop a new tool for rotor mapping based on fractionation levels. Two episodes of chronic atrial fibrillation were simulated in a 3D human atrial model, in which rotors were observed. Dynamic approximate entropy maps were calculated using unipolar electrogram signals generated over the whole surface of the 3D atrial model. In addition, we optimized the approximate entropy calculation using two real multi-center databases of fractionated electrogram signals, labeled in 4 levels of fractionation. We found that the values of approximate entropy and the levels of fractionation are positively correlated. This allows the dynamic approximate entropy maps to localize the tips from stable and meandering rotors. Furthermore, we assessed the optimized approximate entropy using bipolar electrograms generated over a vicinity enclosing a rotor, achieving rotor detection. Our results suggest that high approximate entropy values are able to detect a high level of fractionation and to locate rotor tips in simulated atrial fibrillation episodes. We suggest that dynamic approximate entropy maps could become a tool for atrial fibrillation rotor mapping. PMID:25489858

NIMROD: a program for inference via a normal approximation of the posterior in models with random effects based on ordinary differential equations.

PubMed

Prague, Mélanie; Commenges, Daniel; Guedj, Jérémie; Drylewicz, Julia; Thiébaut, Rodolphe

2013-08-01

Models based on ordinary differential equations (ODE) are widespread tools for describing dynamical systems. In biomedical sciences, data from each subject can be sparse making difficult to precisely estimate individual parameters by standard non-linear regression but information can often be gained from between-subjects variability. This makes natural the use of mixed-effects models to estimate population parameters. Although the maximum likelihood approach is a valuable option, identifiability issues favour Bayesian approaches which can incorporate prior knowledge in a flexible way. However, the combination of difficulties coming from the ODE system and from the presence of random effects raises a major numerical challenge. Computations can be simplified by making a normal approximation of the posterior to find the maximum of the posterior distribution (MAP). Here we present the NIMROD program (normal approximation inference in models with random effects based on ordinary differential equations) devoted to the MAP estimation in ODE models. We describe the specific implemented features such as convergence criteria and an approximation of the leave-one-out cross-validation to assess the model quality of fit. In pharmacokinetics models, first, we evaluate the properties of this algorithm and compare it with FOCE and MCMC algorithms in simulations. Then, we illustrate NIMROD use on Amprenavir pharmacokinetics data from the PUZZLE clinical trial in HIV infected patients. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Synthesis of a controller for stabilizing the motion of a rigid body about a fixed point

NASA Astrophysics Data System (ADS)

Zabolotnov, Yu. M.; Lobanov, A. A.

2017-05-01

A method for the approximate design of an optimal controller for stabilizing the motion of a rigid body about a fixed point is considered. It is assumed that rigid body motion is nearly the motion in the classical Lagrange case. The method is based on the common use of the Bellman dynamic programming principle and the averagingmethod. The latter is used to solve theHamilton-Jacobi-Bellman equation approximately, which permits synthesizing the controller. The proposed method for controller design can be used in many problems close to the problem of motion of the Lagrange top (the motion of a rigid body in the atmosphere, the motion of a rigid body fastened to a cable in deployment of the orbital cable system, etc.).

High performance computing in biology: multimillion atom simulations of nanoscale systems

PubMed Central

Sanbonmatsu, K. Y.; Tung, C.-S.

2007-01-01

Computational methods have been used in biology for sequence analysis (bioinformatics), all-atom simulation (molecular dynamics and quantum calculations), and more recently for modeling biological networks (systems biology). Of these three techniques, all-atom simulation is currently the most computationally demanding, in terms of compute load, communication speed, and memory load. Breakthroughs in electrostatic force calculation and dynamic load balancing have enabled molecular dynamics simulations of large biomolecular complexes. Here, we report simulation results for the ribosome, using approximately 2.64 million atoms, the largest all-atom biomolecular simulation published to date. Several other nanoscale systems with different numbers of atoms were studied to measure the performance of the NAMD molecular dynamics simulation program on the Los Alamos National Laboratory Q Machine. We demonstrate that multimillion atom systems represent a 'sweet spot' for the NAMD code on large supercomputers. NAMD displays an unprecedented 85% parallel scaling efficiency for the ribosome system on 1024 CPUs. We also review recent targeted molecular dynamics simulations of the ribosome that prove useful for studying conformational changes of this large biomolecular complex in atomic detail. PMID:17187988

Dynamic programming methods for concurrent design and dynamic allocation of vehicles embedded in a system-of-systems

NASA Astrophysics Data System (ADS)

Nusawardhana

2007-12-01

Recent developments indicate a changing perspective on how systems or vehicles should be designed. Such transition comes from the way decision makers in defense related agencies address complex problems. Complex problems are now often posed in terms of the capabilities desired, rather than in terms of requirements for a single systems. As a result, the way to provide a set of capabilities is through a collection of several individual, independent systems. This collection of individual independent systems is often referred to as a "System of Systems'' (SoS). Because of the independent nature of the constituent systems in an SoS, approaches to design an SoS, and more specifically, approaches to design a new system as a member of an SoS, will likely be different than the traditional design approaches for complex, monolithic (meaning the constituent parts have no ability for independent operation) systems. Because a system of system evolves over time, this simultaneous system design and resource allocation problem should be investigated in a dynamic context. Such dynamic optimization problems are similar to conventional control problems. However, this research considers problems which not only seek optimizing policies but also seek the proper system or vehicle to operate under these policies. This thesis presents a framework and a set of analytical tools to solve a class of SoS problems that involves the simultaneous design of a new system and allocation of the new system along with existing systems. Such a class of problems belongs to the problems of concurrent design and control of a new systems with solutions consisting of both optimal system design and optimal control strategy. Rigorous mathematical arguments show that the proposed framework solves the concurrent design and control problems. Many results exist for dynamic optimization problems of linear systems. In contrary, results on optimal nonlinear dynamic optimization problems are rare. The proposed framework is equipped with the set of analytical tools to solve several cases of nonlinear optimal control problems: continuous- and discrete-time nonlinear problems with applications on both optimal regulation and tracking. These tools are useful when mathematical descriptions of dynamic systems are available. In the absence of such a mathematical model, it is often necessary to derive a solution based on computer simulation. For this case, a set of parameterized decision may constitute a solution. This thesis presents a method to adjust these parameters based on the principle of stochastic approximation simultaneous perturbation using continuous measurements. The set of tools developed here mostly employs the methods of exact dynamic programming. However, due to the complexity of SoS problems, this research also develops suboptimal solution approaches, collectively recognized as approximate dynamic programming solutions, for large scale problems. The thesis presents, explores, and solves problems from an airline industry, in which a new aircraft is to be designed and allocated along with an existing fleet of aircraft. Because the life cycle of an aircraft is on the order of 10 to 20 years, this problem is to be addressed dynamically so that the new aircraft design is the best design for the fleet over a given time horizon.

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.

Documentation and archiving of the Space Shuttle wind tunnel test data base. Volume 2: User's Guide to the Archived Data Base

NASA Technical Reports Server (NTRS)

Romere, Paul O.; Brown, Steve Wesley

1995-01-01

Development of the Space Shuttle necessitated an extensive wind tunnel test program, with the cooperation of all the major wind tunnels in the United States. The result was approximately 100,000 hours of Space Shuttle wind tunnel testing conducted for aerodynamics, heat transfer, and structural dynamics. The test results were converted into Chrysler DATAMAN computer program format to facilitate use by analysts, a very cost effective method of collecting the wind tunnel test results from many test facilities into one centralized location. This report provides final documentation of the Space Shuttle wind tunnel program. The two-volume set covers the evolution of Space Shuttle aerodynamic configurations and gives wind tunnel test data, titles of wind tunnel data reports, sample data sets, and instructions for accessing the digital data base.

Documentation and archiving of the Space Shuttle wind tunnel test data base. Volume 1: Background and description

NASA Technical Reports Server (NTRS)

Romere, Paul O.; Brown, Steve Wesley

1995-01-01

Development of the space shuttle necessitated an extensive wind tunnel test program, with the cooperation of all the major wind tunnels in the United States. The result was approximately 100,000 hours of space shuttle wind tunnel testing conducted for aerodynamics, heat transfer, and structural dynamics. The test results were converted into Chrysler DATAMAN computer program format to facilitate use by analysts, a very cost effective method of collecting the wind tunnel test results from many test facilities into one centralized location. This report provides final documentation of the space shuttle wind tunnel program. The two-volume set covers evolution of space shuttle aerodynamic configurations and gives wind tunnel test data, titles of wind tunnel data reports, sample data sets, and instructions for accessing the digital data base.

Integrating flood modelling in a hydrological catchment model: flow approximations and spatial resolution.

NASA Astrophysics Data System (ADS)

van den Bout, Bastian; Jetten, Victor

2017-04-01

Within hydrological models, flow approximations are commonly used to reduce computation time. The validity of these approximations is strongly determined by flow height, flow velocity, the spatial resolution of the model, and by the manner in which flow routing is implemented. The assumptions of these approximations can furthermore limit emergent behavior, and influence flow behavior under space-time scaling. In this presentation, the validity and performance of the kinematic, diffusive and dynamic flow approximations are investigated for use in a catchment-based flood model. Particularly, the validity during flood events and for varying spatial resolutions is investigated. The OpenLISEM hydrological model is extended to implement these flow approximations and channel flooding based on dynamic flow. The kinematic routing uses a predefined converging flow network, the diffusive and dynamic routing uses a 2D flow solution over a DEM. The channel flow in all cases is a 1D kinematic wave approximation. The flow approximations are used to recreate measured discharge in three catchments of different size in China, Spain and Italy, among which is the hydrograph of the 2003 flood event in the Fella river basin (Italy). Furthermore, spatial resolutions are varied for the flood simulation in order to investigate the influence of spatial resolution on these flow approximations. Results show that the kinematic, diffusive and dynamic flow approximation provide least to highest accuracy, respectively, in recreating measured temporal variation of the discharge. Kinematic flow, which is commonly used in hydrological modelling, substantially over-estimates hydrological connectivity in the simulations with a spatial resolution of below 30 meters. Since spatial resolutions of models have strongly increased over the past decades, usage of routed kinematic flow should be reconsidered. In the case of flood events, spatial modelling of kinematic flow substantially over-estimates hydrological connectivity and flow concentration, leading to significant errors. The combination of diffusive or dynamic overland flow and dynamic channel flooding provides high accuracy in recreating the 2003 Fella river flood event. Finally, flow approximations substantially influenced the predictive potential of the (flash) flood model.

Safe landing area determination for a Moon lander by reachability analysis

NASA Astrophysics Data System (ADS)

Arslantaş, Yunus Emre; Oehlschlägel, Thimo; Sagliano, Marco

2016-11-01

In the last decades developments in space technology paved the way to more challenging missions like asteroid mining, space tourism and human expansion into the Solar System. These missions result in difficult tasks such as guidance schemes for re-entry, landing on celestial bodies and implementation of large angle maneuvers for spacecraft. There is a need for a safety system to increase the robustness and success of these missions. Reachability analysis meets this requirement by obtaining the set of all achievable states for a dynamical system starting from an initial condition with given admissible control inputs of the system. This paper proposes an algorithm for the approximation of nonconvex reachable sets (RS) by using optimal control. Therefore subset of the state space is discretized by equidistant points and for each grid point a distance function is defined. This distance function acts as an objective function for a related optimal control problem (OCP). Each infinite dimensional OCP is transcribed into a finite dimensional Nonlinear Programming Problem (NLP) by using Pseudospectral Methods (PSM). Finally, the NLPs are solved using available tools resulting in approximated reachable sets with information about the states of the dynamical system at these grid points. The algorithm is applied on a generic Moon landing mission. The proposed method computes approximated reachable sets and the attainable safe landing region with information about propellant consumption and time.

The Center of Excellence for Hypersonics Training and Research at the University of Texas at Austin

NASA Technical Reports Server (NTRS)

Dolling, David S.

1993-01-01

Over the period of this grant (1986-92), 23 graduate students were supported by the Center and received education and training in hypersonics through MS and Ph.D. programs. An additional 8 Ph.D. candidates and 2 MS candidates, with their own fellowship support, were attracted to The University of Texas and were recruited into the hypersonics program because of the Center. Their research, supervised by the 10 faculty involved in the Center, resulted in approximately 50 publications and presentations in journals and at national and international technical conferences. To provide broad-based training, a new hypersonics curriculum was created, enabling students to take 8 core classes in theoretical, computational, and experimental hypersonics, and other option classes over a two to four semester period. The Center also developed an active continuing education program. The Hypersonics Short Course was taught 3 times, twice in the USA and once in Europe. Approximately 300 persons were attracted to hear lectures by more than 25 of the leading experts in the field. In addition, a hypersonic aerodynamics short course was offered through AIAA, as well as short courses on computational fluid dynamics (CFD) and advanced CFD. The existence of the Center also enabled faculty to leverage a substantial volume of additional funds from other agencies, for research and graduate student training. Overall, this was a highly successful and highly visible program.

Evaluation of rate law approximations in bottom-up kinetic models of metabolism.

PubMed

Du, Bin; Zielinski, Daniel C; Kavvas, Erol S; Dräger, Andreas; Tan, Justin; Zhang, Zhen; Ruggiero, Kayla E; Arzumanyan, Garri A; Palsson, Bernhard O

2016-06-06

The mechanistic description of enzyme kinetics in a dynamic model of metabolism requires specifying the numerical values of a large number of kinetic parameters. The parameterization challenge is often addressed through the use of simplifying approximations to form reaction rate laws with reduced numbers of parameters. Whether such simplified models can reproduce dynamic characteristics of the full system is an important question. In this work, we compared the local transient response properties of dynamic models constructed using rate laws with varying levels of approximation. These approximate rate laws were: 1) a Michaelis-Menten rate law with measured enzyme parameters, 2) a Michaelis-Menten rate law with approximated parameters, using the convenience kinetics convention, 3) a thermodynamic rate law resulting from a metabolite saturation assumption, and 4) a pure chemical reaction mass action rate law that removes the role of the enzyme from the reaction kinetics. We utilized in vivo data for the human red blood cell to compare the effect of rate law choices against the backdrop of physiological flux and concentration differences. We found that the Michaelis-Menten rate law with measured enzyme parameters yields an excellent approximation of the full system dynamics, while other assumptions cause greater discrepancies in system dynamic behavior. However, iteratively replacing mechanistic rate laws with approximations resulted in a model that retains a high correlation with the true model behavior. Investigating this consistency, we determined that the order of magnitude differences among fluxes and concentrations in the network were greatly influential on the network dynamics. We further identified reaction features such as thermodynamic reversibility, high substrate concentration, and lack of allosteric regulation, which make certain reactions more suitable for rate law approximations. Overall, our work generally supports the use of approximate rate laws when building large scale kinetic models, due to the key role that physiologically meaningful flux and concentration ranges play in determining network dynamics. However, we also showed that detailed mechanistic models show a clear benefit in prediction accuracy when data is available. The work here should help to provide guidance to future kinetic modeling efforts on the choice of rate law and parameterization approaches.

On the sighting of unicorns: A variational approach to computing invariant sets in dynamical systems

NASA Astrophysics Data System (ADS)

Junge, Oliver; Kevrekidis, Ioannis G.

2017-06-01

We propose to compute approximations to invariant sets in dynamical systems by minimizing an appropriate distance between a suitably selected finite set of points and its image under the dynamics. We demonstrate, through computational experiments, that this approach can successfully converge to approximations of (maximal) invariant sets of arbitrary topology, dimension, and stability, such as, e.g., saddle type invariant sets with complicated dynamics. We further propose to extend this approach by adding a Lennard-Jones type potential term to the objective function, which yields more evenly distributed approximating finite point sets, and illustrate the procedure through corresponding numerical experiments.

On the sighting of unicorns: A variational approach to computing invariant sets in dynamical systems.

PubMed

Junge, Oliver; Kevrekidis, Ioannis G

2017-06-01

We propose to compute approximations to invariant sets in dynamical systems by minimizing an appropriate distance between a suitably selected finite set of points and its image under the dynamics. We demonstrate, through computational experiments, that this approach can successfully converge to approximations of (maximal) invariant sets of arbitrary topology, dimension, and stability, such as, e.g., saddle type invariant sets with complicated dynamics. We further propose to extend this approach by adding a Lennard-Jones type potential term to the objective function, which yields more evenly distributed approximating finite point sets, and illustrate the procedure through corresponding numerical experiments.

The validity of flow approximations when simulating catchment-integrated flash floods

NASA Astrophysics Data System (ADS)

Bout, B.; Jetten, V. G.

2018-01-01

Within hydrological models, flow approximations are commonly used to reduce computation time. The validity of these approximations is strongly determined by flow height, flow velocity and the spatial resolution of the model. In this presentation, the validity and performance of the kinematic, diffusive and dynamic flow approximations are investigated for use in a catchment-based flood model. Particularly, the validity during flood events and for varying spatial resolutions is investigated. The OpenLISEM hydrological model is extended to implement both these flow approximations and channel flooding based on dynamic flow. The flow approximations are used to recreate measured discharge in three catchments, among which is the hydrograph of the 2003 flood event in the Fella river basin. Furthermore, spatial resolutions are varied for the flood simulation in order to investigate the influence of spatial resolution on these flow approximations. Results show that the kinematic, diffusive and dynamic flow approximation provide least to highest accuracy, respectively, in recreating measured discharge. Kinematic flow, which is commonly used in hydrological modelling, substantially over-estimates hydrological connectivity in the simulations with a spatial resolution of below 30 m. Since spatial resolutions of models have strongly increased over the past decades, usage of routed kinematic flow should be reconsidered. The combination of diffusive or dynamic overland flow and dynamic channel flooding provides high accuracy in recreating the 2003 Fella river flood event. Finally, in the case of flood events, spatial modelling of kinematic flow substantially over-estimates hydrological connectivity and flow concentration since pressure forces are removed, leading to significant errors.

Hamiltonian Analysis of Subcritical Stochastic Epidemic Dynamics

PubMed Central

2017-01-01

We extend a technique of approximation of the long-term behavior of a supercritical stochastic epidemic model, using the WKB approximation and a Hamiltonian phase space, to the subcritical case. The limiting behavior of the model and approximation are qualitatively different in the subcritical case, requiring a novel analysis of the limiting behavior of the Hamiltonian system away from its deterministic subsystem. This yields a novel, general technique of approximation of the quasistationary distribution of stochastic epidemic and birth-death models and may lead to techniques for analysis of these models beyond the quasistationary distribution. For a classic SIS model, the approximation found for the quasistationary distribution is very similar to published approximations but not identical. For a birth-death process without depletion of susceptibles, the approximation is exact. Dynamics on the phase plane similar to those predicted by the Hamiltonian analysis are demonstrated in cross-sectional data from trachoma treatment trials in Ethiopia, in which declining prevalences are consistent with subcritical epidemic dynamics. PMID:28932256

Helicity in dynamic atmospheric processes

NASA Astrophysics Data System (ADS)

Kurgansky, M. V.

2017-03-01

An overview on the helicity of the velocity field and the role played by this concept in modern research in the field of geophysical fluid dynamics and dynamic meteorology is given. Different (both previously known in the literature and first presented) formulations of the equation of helicity balance in atmospheric motions (including those with allowance for effects of air compressibility and Earth's rotation) are brought together. Equations and relationships are given which are valid in different approximations accepted in dynamic meteorology: Boussinesq approximation, quasi-static approximation, and quasi-geostrophic approximation. Emphasis is placed on the analysis of helicity budget in large-scale quasi-geostrophic systems of motion; a formula for the helicity flux across the upper boundary of the nonlinear Ekman boundary layer is given, and this flux is shown to be exactly compensated for by the helicity destruction inside the Ekman boundary layer.

Bent dark soliton dynamics in two spatial dimensions beyond the mean field approximation

NASA Astrophysics Data System (ADS)

Mistakidis, Simeon; Katsimiga, Garyfallia; Koutentakis, Georgios; Kevrekidis, Panagiotis; Schmelcher, Peter; Theory Group of Fundamental Processes in Quantum Physics Team

2017-04-01

The dynamics of a bented dark soliton embedded in two spatial dimensions beyond the mean-field approximation is explored. We examine the case of a single bented dark soliton comparing the mean-field approximation to a correlated approach that involves multiple orbitals. Fragmentation is generally present and significantly affects the dynamics, especially in the case of stronger interparticle interactions and in that of lower atom numbers. It is shown that the presence of fragmentation allows for the appearance of solitonic and vortex structures in the higher-orbital dynamics. In particular, a variety of excitations including dark solitons in multiple orbitals and vortex-antidark complexes is observed to arise spontaneously within the beyond mean-field dynamics. Deutsche Forschungsgemeinschaft (DFG) in the framework of the SFB 925 ``Light induced dynamics and control of correlated quantum systems''.

Interlaced coarse-graining for the dynamical cluster approximation

NASA Astrophysics Data System (ADS)

Haehner, Urs; Staar, Peter; Jiang, Mi; Maier, Thomas; Schulthess, Thomas

The negative sign problem remains a challenging limiting factor in quantum Monte Carlo simulations of strongly correlated fermionic many-body systems. The dynamical cluster approximation (DCA) makes this problem less severe by coarse-graining the momentum space to map the bulk lattice to a cluster embedded in a dynamical mean-field host. Here, we introduce a new form of an interlaced coarse-graining and compare it with the traditional coarse-graining. We show that it leads to more controlled results with weaker cluster shape and smoother cluster size dependence, which with increasing cluster size converge to the results obtained using the standard coarse-graining. In addition, the new coarse-graining reduces the severity of the fermionic sign problem. Therefore, it enables calculations on much larger clusters and can allow the evaluation of the exact infinite cluster size result via finite size scaling. To demonstrate this, we study the hole-doped two-dimensional Hubbard model and show that the interlaced coarse-graining in combination with the DCA+ algorithm permits the determination of the superconducting Tc on cluster sizes, for which the results can be fitted with the Kosterlitz-Thouless scaling law. This research used resources of the Oak Ridge Leadership Computing Facility (OLCF) awarded by the INCITE program, and of the Swiss National Supercomputing Center. OLCF is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

Dynamic optimization of open-loop input signals for ramp-up current profiles in tokamak plasmas

NASA Astrophysics Data System (ADS)

Ren, Zhigang; Xu, Chao; Lin, Qun; Loxton, Ryan; Teo, Kok Lay

2016-03-01

Establishing a good current spatial profile in tokamak fusion reactors is crucial to effective steady-state operation. The evolution of the current spatial profile is related to the evolution of the poloidal magnetic flux, which can be modeled in the normalized cylindrical coordinates using a parabolic partial differential equation (PDE) called the magnetic diffusion equation. In this paper, we consider the dynamic optimization problem of attaining the best possible current spatial profile during the ramp-up phase of the tokamak. We first use the Galerkin method to obtain a finite-dimensional ordinary differential equation (ODE) model based on the original magnetic diffusion PDE. Then, we combine the control parameterization method with a novel time-scaling transformation to obtain an approximate optimal parameter selection problem, which can be solved using gradient-based optimization techniques such as sequential quadratic programming (SQP). This control parameterization approach involves approximating the tokamak input signals by piecewise-linear functions whose slopes and break-points are decision variables to be optimized. We show that the gradient of the objective function with respect to the decision variables can be computed by solving an auxiliary dynamic system governing the state sensitivity matrix. Finally, we conclude the paper with simulation results for an example problem based on experimental data from the DIII-D tokamak in San Diego, California.

Automated Dynamic Demand Response Implementation on a Micro-grid

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

Kuppannagari, Sanmukh R.; Kannan, Rajgopal; Chelmis, Charalampos

In this paper, we describe a system for real-time automated Dynamic and Sustainable Demand Response with sparse data consumption prediction implemented on the University of Southern California campus microgrid. Supply side approaches to resolving energy supply-load imbalance do not work at high levels of renewable energy penetration. Dynamic Demand Response (D 2R) is a widely used demand-side technique to dynamically adjust electricity consumption during peak load periods. Our D 2R system consists of accurate machine learning based energy consumption forecasting models that work with sparse data coupled with fast and sustainable load curtailment optimization algorithms that provide the ability tomore » dynamically adapt to changing supply-load imbalances in near real-time. Our Sustainable DR (SDR) algorithms attempt to distribute customer curtailment evenly across sub-intervals during a DR event and avoid expensive demand peaks during a few sub-intervals. It also ensures that each customer is penalized fairly in order to achieve the targeted curtailment. We develop near linear-time constant-factor approximation algorithms along with Polynomial Time Approximation Schemes (PTAS) for SDR curtailment that minimizes the curtailment error defined as the difference between the target and achieved curtailment values. Our SDR curtailment problem is formulated as an Integer Linear Program that optimally matches customers to curtailment strategies during a DR event while also explicitly accounting for customer strategy switching overhead as a constraint. We demonstrate the results of our D 2R system using real data from experiments performed on the USC smartgrid and show that 1) our prediction algorithms can very accurately predict energy consumption even with noisy or missing data and 2) our curtailment algorithms deliver DR with extremely low curtailment errors in the 0.01-0.05 kWh range.« less

AGARD standard aeroelastic configurations for dynamic response. 1: Wing 445.6

NASA Technical Reports Server (NTRS)

Yates, E. Carson, Jr.

1988-01-01

This report contains experimental flutter data for the AGARD 3-D swept tapered standard configuration Wing 445.6, along with related descriptive data of the model properties required for comparative flutter calculations. As part of a cooperative AGARD-SMP program, guided by the Sub-Committee on Aeroelasticity, this standard configuration may serve as a common basis for comparison of calculated and measured aeroelastic behavior. These comparisons will promote a better understanding of the assumptions, approximations and limitations underlying the various aerodynamic methods applied, thus pointing the way to further improvements.

Approximate Dynamic Programming for Military Resource Allocation

DTIC Science & Technology

2014-12-26

difference in means for W = 200, T = 200 ( c ) W = 200, T = 200 5 10 15 20 25 30 35 40 45 50 −2 0 2 4 6 8 Problem Number M ea n A D P − M ea n M M R 95...will provide analysts with a means for effectively determining which weapons concepts to explore further, how to appropriately fit a set of aircraft ...which optimization of the multi-stage DWTA is used to determine optimal weaponeering of aircraft . Because of its flexibility and applicability to

Experimental and computational flow-field results for an all-body hypersonic aircraft

NASA Technical Reports Server (NTRS)

Cleary, Joseph W.

1989-01-01

A comprehensive test program is defined which is being implemented in the NASA/Ames 3.5 foot Hypersonic Wind Tunnel for obtaining data on a generic all-body hypersonic vehicle for computational fluid dynamics (CFD) code validation. Computational methods (approximate inviscid methods and an upwind parabolized Navier-Stokes code) currently being applied to the all-body model are outlined. Experimental and computational results on surface pressure distributions and Pitot-pressure surveys for the basic sharp-nose model (without control surfaces) at a free-stream Mach number of 7 are presented.

Heuristic algorithms for solving of the tool routing problem for CNC cutting machines

NASA Astrophysics Data System (ADS)

Chentsov, P. A.; Petunin, A. A.; Sesekin, A. N.; Shipacheva, E. N.; Sholohov, A. E.

2015-11-01

The article is devoted to the problem of minimizing the path of the cutting tool to shape cutting machines began. This problem can be interpreted as a generalized traveling salesman problem. Earlier version of the dynamic programming method to solve this problem was developed. Unfortunately, this method allows to process an amount not exceeding thirty circuits. In this regard, the task of constructing quasi-optimal route becomes relevant. In this paper we propose options for quasi-optimal greedy algorithms. Comparison of the results of exact and approximate algorithms is given.

Dynamic Crush Characterization of Ice

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Boitnott, Richard L.; Kellas, Sotiris

2006-01-01

During the space shuttle return-to-flight preparations following the Columbia accident, finite element models were needed that could predict the threshold of critical damage to the orbiter's wing leading edge from ice debris impacts. Hence, an experimental program was initiated to provide crushing data from impacted ice for use in dynamic finite element material models. A high-speed drop tower was configured to capture force time histories of ice cylinders for impacts up to approximately 100 ft/s. At low velocity, the force-time history depended heavily on the internal crystalline structure of the ice. However, for velocities of 100 ft/s and above, the ice fractured on impact, behaved more like a fluid, and the subsequent force-time history curves were much less dependent on the internal crystalline structure.

Control methods for aiding a pilot during STOL engine failure transients

NASA Technical Reports Server (NTRS)

Nelson, E. R.; Debra, D. B.

1976-01-01

Candidate autopilot control laws that control the engine failure transient sink rates by demonstrating the engineering application of modern state variable control theory were defined. The results of approximate modal analysis were compared to those derived from full state analyses provided from computer design solutions. The aircraft was described, and a state variable model of its longitudinal dynamic motion due to engine and control variations was defined. The classical fast and slow modes were assumed to be sufficiently different to define reduced order approximations of the aircraft motion amendable to hand analysis control definition methods. The original state equations of motion were also applied to a large scale state variable control design program, in particular OPTSYS. The resulting control laws were compared with respect to their relative responses, ease of application, and meeting the desired performance objectives.

Biological sequence compression algorithms.

PubMed

Matsumoto, T; Sadakane, K; Imai, H

2000-01-01

Today, more and more DNA sequences are becoming available. The information about DNA sequences are stored in molecular biology databases. The size and importance of these databases will be bigger and bigger in the future, therefore this information must be stored or communicated efficiently. Furthermore, sequence compression can be used to define similarities between biological sequences. The standard compression algorithms such as gzip or compress cannot compress DNA sequences, but only expand them in size. On the other hand, CTW (Context Tree Weighting Method) can compress DNA sequences less than two bits per symbol. These algorithms do not use special structures of biological sequences. Two characteristic structures of DNA sequences are known. One is called palindromes or reverse complements and the other structure is approximate repeats. Several specific algorithms for DNA sequences that use these structures can compress them less than two bits per symbol. In this paper, we improve the CTW so that characteristic structures of DNA sequences are available. Before encoding the next symbol, the algorithm searches an approximate repeat and palindrome using hash and dynamic programming. If there is a palindrome or an approximate repeat with enough length then our algorithm represents it with length and distance. By using this preprocessing, a new program achieves a little higher compression ratio than that of existing DNA-oriented compression algorithms. We also describe new compression algorithm for protein sequences.

Wind turbine generator interaction with conventional diesel generators on Block Island, Rhode Island. Volume 2: Data analysis

NASA Technical Reports Server (NTRS)

Wilreker, V. F.; Stiller, P. H.; Scott, G. W.; Kruse, V. J.; Smith, R. F.

1984-01-01

Assessing the performance of a MOD-OA horizontal axis wind turbine connected to an isolated diesel utility, a comprehensive data measurement program was conducted on the Block Island Power Company installation on Block Island, Rhode Island. The detailed results of that program focusing on three principal areas of (1) fuel displacement (savings), (2) dynamic interaction between the diesel utility and the wind turbine, (3) effects of three models of wind turbine reactive power control are presented. The approximate two month duration of the data acquisition program conducted in the winter months (February into April 1982) revealed performance during periods of highest wind energy penetration and hence severity of operation. Even under such conditions fuel savings were significant resulting in a fuel reduction of 6.7% while the MOD-OA was generating 10.7% of the total electrical energy. Also, electrical disturbance and interactive effects were of an acceptable level.

The YAV-8B simulation and modeling. Volume 2: Program listing

NASA Technical Reports Server (NTRS)

1983-01-01

Detailed mathematical models of varying complexity representative of the YAV-8B aircraft are defined and documented. These models are used in parameter estimation and in linear analysis computer programs while investigating YAV-8B aircraft handling qualities. Both a six degree of freedom nonlinear model and a linearized three degree of freedom longitudinal and lateral directional model were developed. The nonlinear model is based on the mathematical model used on the MCAIR YAV-8B manned flight simulator. This simulator model has undergone periodic updating based on the results of approximately 360 YAV-8B flights and 8000 hours of wind tunnel testing. Qualified YAV-8B flight test pilots have commented that the handling qualities characteristics of the simulator are quite representative of the real aircraft. These comments are validated herein by comparing data from both static and dynamic flight test maneuvers to the same obtained using the nonlinear program.

MONTE CARLO SIMULATIONS OF PERIODIC PULSED REACTOR WITH MOVING GEOMETRY PARTS

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

Cao, Yan; Gohar, Yousry

2015-11-01

In a periodic pulsed reactor, the reactor state varies periodically from slightly subcritical to slightly prompt supercritical for producing periodic power pulses. Such periodic state change is accomplished by a periodic movement of specific reactor parts, such as control rods or reflector sections. The analysis of such reactor is difficult to perform with the current reactor physics computer programs. Based on past experience, the utilization of the point kinetics approximations gives considerable errors in predicting the magnitude and the shape of the power pulse if the reactor has significantly different neutron life times in different zones. To accurately simulate themore » dynamics of this type of reactor, a Monte Carlo procedure using the transfer function TRCL/TR of the MCNP/MCNPX computer programs is utilized to model the movable reactor parts. In this paper, two algorithms simulating the geometry part movements during a neutron history tracking have been developed. Several test cases have been developed to evaluate these procedures. The numerical test cases have shown that the developed algorithms can be utilized to simulate the reactor dynamics with movable geometry parts.« less

A determination of the external forces required to move the benchmark active controls testing model in pure plunge and pure pitch

NASA Technical Reports Server (NTRS)

Dcruz, Jonathan

1993-01-01

In view of the strong need for a well-documented set of experimental data which is suitable for the validation and/or calibration of modern Computational Fluid Dynamics codes, the Benchmark Models Program was initiated by the Structural Dynamics Division of the NASA Langley Research Center. One of the models in the program, the Benchmark Active Controls Testing Model, consists of a rigid wing of rectangular planform with a NACA 0012 profile and three control surfaces (a trailing-edge control surface, a lower-surface spoiler, and an upper-surface spoiler). The model is affixed to a flexible mount system which allows only plunging and/or pitching motion. An approximate analytical determination of the forces required to move this model, with its control surfaces fixed, in pure plunge and pure pitch at a number of test conditions is included. This provides a good indication of the type of actuator system required to generate the aerodynamic data resulting from pure plunging and pure pitching motion, in which much interest was expressed. The analysis makes use of previously obtained numerical results.

Implementation of the Hungarian Algorithm to Account for Ligand Symmetry and Similarity in Structure-Based Design

PubMed Central

2015-01-01

False negative docking outcomes for highly symmetric molecules are a barrier to the accurate evaluation of docking programs, scoring functions, and protocols. This work describes an implementation of a symmetry-corrected root-mean-square deviation (RMSD) method into the program DOCK based on the Hungarian algorithm for solving the minimum assignment problem, which dynamically assigns atom correspondence in molecules with symmetry. The algorithm adds only a trivial amount of computation time to the RMSD calculations and is shown to increase the reported overall docking success rate by approximately 5% when tested over 1043 receptor–ligand systems. For some families of protein systems the results are even more dramatic, with success rate increases up to 16.7%. Several additional applications of the method are also presented including as a pairwise similarity metric to compare molecules during de novo design, as a scoring function to rank-order virtual screening results, and for the analysis of trajectories from molecular dynamics simulation. The new method, including source code, is available to registered users of DOCK6 (http://dock.compbio.ucsf.edu). PMID:24410429

Bounds on stochastic chemical kinetic systems at steady state

NASA Astrophysics Data System (ADS)

Dowdy, Garrett R.; Barton, Paul I.

2018-02-01

The method of moments has been proposed as a potential means to reduce the dimensionality of the chemical master equation (CME) appearing in stochastic chemical kinetics. However, attempts to apply the method of moments to the CME usually result in the so-called closure problem. Several authors have proposed moment closure schemes, which allow them to obtain approximations of quantities of interest, such as the mean molecular count for each species. However, these approximations have the dissatisfying feature that they come with no error bounds. This paper presents a fundamentally different approach to the closure problem in stochastic chemical kinetics. Instead of making an approximation to compute a single number for the quantity of interest, we calculate mathematically rigorous bounds on this quantity by solving semidefinite programs. These bounds provide a check on the validity of the moment closure approximations and are in some cases so tight that they effectively provide the desired quantity. In this paper, the bounded quantities of interest are the mean molecular count for each species, the variance in this count, and the probability that the count lies in an arbitrary interval. At present, we consider only steady-state probability distributions, intending to discuss the dynamic problem in a future publication.

Dynamic Structure Factor: An Introduction

NASA Astrophysics Data System (ADS)

Sturm, K.

1993-02-01

The doubly differential cross-section for weak inelastic scattering of waves or particles by manybody systems is derived in Born approximation and expressed in terms of the dynamic structure factor according to van Hove. The application of this very general scheme to scattering of neutrons, x-rays and high-energy electrons is discussed briefly. The dynamic structure factor, which is the space and time Fourier transform of the density-density correlation function, is a property of the many-body system independent of the external probe and carries information on the excitation spectrum of the system. The relation of the electronic structure factor to the density-density response function defined in linear-response theory is shown using the fluctuation-dissipation theorem. This is important for calculations, since the response function can be calculated approximately from the independent-particle response function in self-consistent field approximations, such as the random-phase approximation or the local-density approximation of the density functional theory. Since the density-density response function also determines the dielectric function, the dynamic structure can be expressed by the dielectric function.

A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction

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

Chatterjee, Koushik; Jawulski, Konrad; Pastorczak, Ewa

A perfect-pairing generalized valence bond (GVB) approximation is known to be one of the simplest approximations, which allows one to capture the essence of static correlation in molecular systems. In spite of its attractive feature of being relatively computationally efficient, this approximation misses a large portion of dynamic correlation and does not offer sufficient accuracy to be generally useful for studying electronic structure of molecules. We propose to correct the GVB model and alleviate some of its deficiencies by amending it with the correlation energy correction derived from the recently formulated extended random phase approximation (ERPA). On the examples ofmore » systems of diverse electronic structures, we show that the resulting ERPA-GVB method greatly improves upon the GVB model. ERPA-GVB recovers most of the electron correlation and it yields energy barrier heights of excellent accuracy. Thanks to a balanced treatment of static and dynamic correlation, ERPA-GVB stays reliable when one moves from systems dominated by dynamic electron correlation to those for which the static correlation comes into play.« less

UNAERO: A package of FORTRAN subroutines for approximating unsteady aerodynamics in the time domain

NASA Technical Reports Server (NTRS)

Dunn, H. J.

1985-01-01

This report serves as an instruction and maintenance manual for a collection of CDC CYBER FORTRAN IV subroutines for approximating the unsteady aerodynamic forces in the time domain. The result is a set of constant-coefficient first-order differential equations that approximate the dynamics of the vehicle. Provisions are included for adjusting the number of modes used for calculating the approximations so that an accurate approximation is generated. The number of data points at different values of reduced frequency can also be varied to adjust the accuracy of the approximation over the reduced-frequency range. The denominator coefficients of the approximation may be calculated by means of a gradient method or a least-squares approximation technique. Both the approximation methods use weights on the residual error. A new set of system equations, at a different dynamic pressure, can be generated without the approximations being recalculated.

Data-Driven Model Reduction and Transfer Operator Approximation

NASA Astrophysics Data System (ADS)

Klus, Stefan; Nüske, Feliks; Koltai, Péter; Wu, Hao; Kevrekidis, Ioannis; Schütte, Christof; Noé, Frank

2018-06-01

In this review paper, we will present different data-driven dimension reduction techniques for dynamical systems that are based on transfer operator theory as well as methods to approximate transfer operators and their eigenvalues, eigenfunctions, and eigenmodes. The goal is to point out similarities and differences between methods developed independently by the dynamical systems, fluid dynamics, and molecular dynamics communities such as time-lagged independent component analysis, dynamic mode decomposition, and their respective generalizations. As a result, extensions and best practices developed for one particular method can be carried over to other related methods.

Dynamical calculations for RHEED intensity oscillations

NASA Astrophysics Data System (ADS)

Daniluk, Andrzej

2005-03-01

A practical computing algorithm working in real time has been developed for calculating the reflection high-energy electron diffraction from the molecular beam epitaxy growing surface. The calculations are based on the use of a dynamical diffraction theory in which the electrons are taken to be diffracted by a potential, which is periodic in the dimension perpendicular to the surface. The results of the calculations are presented in the form of rocking curves to illustrate how the diffracted beam intensities depend on the glancing angle of the incident beam. Program summaryTitle of program: RHEED Catalogue identifier:ADUY Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADUY Program obtainable from:CPC Program Library, Queen's University of Belfast, N. Ireland Computer for which the program is designed and others on which it has been tested: Pentium-based PC Operating systems or monitors under which the program has been tested: Windows 9x, XP, NT, Linux Programming language used: Borland C++ Memory required to execute with typical data: more than 1 MB Number of bits in a word: 64 bits Number of processors used: 1 Distribution format:tar.gz Number of lines in distributed program, including test data, etc.:982 Number of bytes in distributed program, including test data, etc.: 126 051 Nature of physical problem: Reflection high-energy electron diffraction (RHEED) is a very useful technique for studying growth and surface analysis of thin epitaxial structures prepared by the molecular beam epitaxy (MBE). Nowadays, RHEED is used in many laboratories all over the world where researchers deal with the growth of materials by MBE. The RHEED technique can reveal, almost instantaneously, changes either in the coverage of the sample surface by adsorbates or in the surface structure of a thin film. In most cases the interpretation of experimental results is based on the use of dynamical diffraction approaches. Such approaches are said to be quite useful in qualitative and quantitative analysis of RHEED experimental data. Method of solution: RHEED intensities are calculated within the framework of the general matrix formulation of Peng and Whelan [Surf. Sci. Lett. 238 (1990) L446] under the one-beam condition. The dynamical diffraction calculations presented in this paper utilize the systematic reflection case in RHEED, in which the atomic potential in the planes parallel to the surface are projected on the surface normal, so that the results are insensitive to the atomic arrangement in the layers parallel to the surface. This model shows a systematic approximation in calculating dynamical RHEED intensities, and only a layer coverage factor for the nth layer was taken into account in calculating the interaction potential between the fast electron and that layer. Typical running time: The typical running time is machine and user-parameters dependent. Unusual features of the program: The program is presented in the form of a basic unit RHEED.cpp and should be compiled using C++ compilers, including C++ Builder and g++.

The "Chaos Theory" and nonlinear dynamics in heart rate variability analysis: does it work in short-time series in patients with coronary heart disease?

PubMed

Krstacic, Goran; Krstacic, Antonija; Smalcelj, Anton; Milicic, Davor; Jembrek-Gostovic, Mirjana

2007-04-01

Dynamic analysis techniques may quantify abnormalities in heart rate variability (HRV) based on nonlinear and fractal analysis (chaos theory). The article emphasizes clinical and prognostic significance of dynamic changes in short-time series applied on patients with coronary heart disease (CHD) during the exercise electrocardiograph (ECG) test. The subjects were included in the series after complete cardiovascular diagnostic data. Series of R-R and ST-T intervals were obtained from exercise ECG data after sampling digitally. The range rescaled analysis method determined the fractal dimension of the intervals. To quantify fractal long-range correlation's properties of heart rate variability, the detrended fluctuation analysis technique was used. Approximate entropy (ApEn) was applied to quantify the regularity and complexity of time series, as well as unpredictability of fluctuations in time series. It was found that the short-term fractal scaling exponent (alpha(1)) is significantly lower in patients with CHD (0.93 +/- 0.07 vs 1.09 +/- 0.04; P < 0.001). The patients with CHD had higher fractal dimension in each exercise test program separately, as well as in exercise program at all. ApEn was significant lower in CHD group in both RR and ST-T ECG intervals (P < 0.001). The nonlinear dynamic methods could have clinical and prognostic applicability also in short-time ECG series. Dynamic analysis based on chaos theory during the exercise ECG test point out the multifractal time series in CHD patients who loss normal fractal characteristics and regularity in HRV. Nonlinear analysis technique may complement traditional ECG analysis.

Estimating Dynamical Systems: Derivative Estimation Hints From Sir Ronald A. Fisher.

PubMed

Deboeck, Pascal R

2010-08-06

The fitting of dynamical systems to psychological data offers the promise of addressing new and innovative questions about how people change over time. One method of fitting dynamical systems is to estimate the derivatives of a time series and then examine the relationships between derivatives using a differential equation model. One common approach for estimating derivatives, Local Linear Approximation (LLA), produces estimates with correlated errors. Depending on the specific differential equation model used, such correlated errors can lead to severely biased estimates of differential equation model parameters. This article shows that the fitting of dynamical systems can be improved by estimating derivatives in a manner similar to that used to fit orthogonal polynomials. Two applications using simulated data compare the proposed method and a generalized form of LLA when used to estimate derivatives and when used to estimate differential equation model parameters. A third application estimates the frequency of oscillation in observations of the monthly deaths from bronchitis, emphysema, and asthma in the United Kingdom. These data are publicly available in the statistical program R, and functions in R for the method presented are provided.

Structural characterization of a first-generation articulated-truss joint for space crane application

NASA Technical Reports Server (NTRS)

Sutter, Thomas R.; Wu, K. Chauncey; Riutort, Kevin T.; Laufer, Joseph B.; Phelps, James E.

1992-01-01

A first-generation space crane articulated-truss joint was statically and dynamically characterized in a configuration that approximated an operational environment. The articulated-truss joint was integrated into a test-bed for structural characterization. Static characterization was performed by applying known loads and measuring the corresponding deflections to obtain load-deflection curves. Dynamic characterization was performed using modal testing to experimentally determine the first six mode shapes, frequencies, and modal damping values. Static and dynamic characteristics were also determined for a reference truss that served as a characterization baseline. Load-deflection curves and experimental frequency response functions are presented for the reference truss and the articulated-truss joint mounted in the test-bed. The static and dynamic experimental results are compared with analytical predictions obtained from finite element analyses. Load-deflection response is also presented for one of the linear actuators used in the articulated-truss joint. Finally, an assessment is presented for the predictability of the truss hardware used in the reference truss and articulated-truss joint based upon hardware stiffness properties that were previously obtained during the Precision Segmented Reflector (PSR) Technology Development Program.

Real-time dynamics of matrix quantum mechanics beyond the classical approximation

NASA Astrophysics Data System (ADS)

Buividovich, Pavel; Hanada, Masanori; Schäfer, Andreas

2018-03-01

We describe a numerical method which allows to go beyond the classical approximation for the real-time dynamics of many-body systems by approximating the many-body Wigner function by the most general Gaussian function with time-dependent mean and dispersion. On a simple example of a classically chaotic system with two degrees of freedom we demonstrate that this Gaussian state approximation is accurate for significantly smaller field strengths and longer times than the classical one. Applying this approximation to matrix quantum mechanics, we demonstrate that the quantum Lyapunov exponents are in general smaller than their classical counterparts, and even seem to vanish below some temperature. This behavior resembles the finite-temperature phase transition which was found for this system in Monte-Carlo simulations, and ensures that the system does not violate the Maldacena-Shenker-Stanford bound λL < 2πT, which inevitably happens for classical dynamics at sufficiently small temperatures.

An equation-free probabilistic steady-state approximation: dynamic application to the stochastic simulation of biochemical reaction networks.

PubMed

Salis, Howard; Kaznessis, Yiannis N

2005-12-01

Stochastic chemical kinetics more accurately describes the dynamics of "small" chemical systems, such as biological cells. Many real systems contain dynamical stiffness, which causes the exact stochastic simulation algorithm or other kinetic Monte Carlo methods to spend the majority of their time executing frequently occurring reaction events. Previous methods have successfully applied a type of probabilistic steady-state approximation by deriving an evolution equation, such as the chemical master equation, for the relaxed fast dynamics and using the solution of that equation to determine the slow dynamics. However, because the solution of the chemical master equation is limited to small, carefully selected, or linear reaction networks, an alternate equation-free method would be highly useful. We present a probabilistic steady-state approximation that separates the time scales of an arbitrary reaction network, detects the convergence of a marginal distribution to a quasi-steady-state, directly samples the underlying distribution, and uses those samples to accurately predict the state of the system, including the effects of the slow dynamics, at future times. The numerical method produces an accurate solution of both the fast and slow reaction dynamics while, for stiff systems, reducing the computational time by orders of magnitude. The developed theory makes no approximations on the shape or form of the underlying steady-state distribution and only assumes that it is ergodic. We demonstrate the accuracy and efficiency of the method using multiple interesting examples, including a highly nonlinear protein-protein interaction network. The developed theory may be applied to any type of kinetic Monte Carlo simulation to more efficiently simulate dynamically stiff systems, including existing exact, approximate, or hybrid stochastic simulation techniques.

Missile sizing for ascent-phase intercept

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

Hull, D.G.; Salguero, D.E.

1994-11-01

A computer code has been developed to determine the size of a ground-launched, multistage missile which can intercept a theater ballistic missile before it leaves the atmosphere. Typical final conditions for the inteceptor are 450 km range, 60 km altitude, and 80 sec flight time. Given the payload mass (35 kg), which includes a kinetic kill vehicle, and achievable values for the stage mass fractions (0.85), the stage specific impulses (290 sec), and the vehicle density (60 lb/ft{sup 3}), the launch mass is minimized with respect to the stage payload mass ratios, the stage burn times, and the missile anglemore » of attack history subject to limits on the angle of attack (10 deg), the dynamic pressure (60,000 psf), and the maneuver load (200,000 psf deg). For a conical body, the minimum launch mass is approximately 1900 kg. The missile has three stages, and the payload coasts for 57 sec. A trade study has been performed by varying the flight time, the range, and the dynamic pressure Emits. With the results of a sizing study for a 70 lb payload and q{sub max} = 35,000 psf, a more detailed design has been carried out to determine heat shield mass, tabular aerodynamics, and altitude dependent thrust. The resulting missile has approximately 100 km less range than the sizing program predicted primarily because of the additional mass required for heat protection. On the other hand, launching the same missile from an aircraft increases its range by approximately 100 km. Sizing the interceptor for air launch with the same final conditions as the ground-launched missile reduces its launch mass to approximately 1000 kg.« less

Liquid Aluminum: Atomic diffusion and viscosity from ab initio molecular dynamics

PubMed Central

Jakse, Noel; Pasturel, Alain

2013-01-01

We present a study of dynamic properties of liquid aluminum using density-functional theory within the local-density (LDA) and generalized gradient (GGA) approximations. We determine the temperature dependence of the self-diffusion coefficient as well the viscosity using direct methods. Comparisons with experimental data favor the LDA approximation to compute dynamic properties of liquid aluminum. We show that the GGA approximation induce more important backscattering effects due to an enhancement of the icosahedral short range order (ISRO) that impact directly dynamic properties like the self-diffusion coefficient. All these results are then used to test the Stokes-Einstein relation and the universal scaling law relating the diffusion coefficient and the excess entropy of a liquid. PMID:24190311

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical Dynamics.

PubMed

Crespo-Otero, Rachel; Barbatti, Mario

2018-05-16

Nonadiabatic mixed quantum-classical (NA-MQC) dynamics methods form a class of computational theoretical approaches in quantum chemistry tailored to investigate the time evolution of nonadiabatic phenomena in molecules and supramolecular assemblies. NA-MQC is characterized by a partition of the molecular system into two subsystems: one to be treated quantum mechanically (usually but not restricted to electrons) and another to be dealt with classically (nuclei). The two subsystems are connected through nonadiabatic couplings terms to enforce self-consistency. A local approximation underlies the classical subsystem, implying that direct dynamics can be simulated, without needing precomputed potential energy surfaces. The NA-MQC split allows reducing computational costs, enabling the treatment of realistic molecular systems in diverse fields. Starting from the three most well-established methods-mean-field Ehrenfest, trajectory surface hopping, and multiple spawning-this review focuses on the NA-MQC dynamics methods and programs developed in the last 10 years. It stresses the relations between approaches and their domains of application. The electronic structure methods most commonly used together with NA-MQC dynamics are reviewed as well. The accuracy and precision of NA-MQC simulations are critically discussed, and general guidelines to choose an adequate method for each application are delivered.

A Generalization of the Karush-Kuhn-Tucker Theorem for Approximate Solutions of Mathematical Programming Problems Based on Quadratic Approximation

NASA Astrophysics Data System (ADS)

Voloshinov, V. V.

2018-03-01

In computations related to mathematical programming problems, one often has to consider approximate, rather than exact, solutions satisfying the constraints of the problem and the optimality criterion with a certain error. For determining stopping rules for iterative procedures, in the stability analysis of solutions with respect to errors in the initial data, etc., a justified characteristic of such solutions that is independent of the numerical method used to obtain them is needed. A necessary δ-optimality condition in the smooth mathematical programming problem that generalizes the Karush-Kuhn-Tucker theorem for the case of approximate solutions is obtained. The Lagrange multipliers corresponding to the approximate solution are determined by solving an approximating quadratic programming problem.

Robust optimization for nonlinear time-delay dynamical system of dha regulon with cost sensitivity constraint in batch culture

NASA Astrophysics Data System (ADS)

Yuan, Jinlong; Zhang, Xu; Liu, Chongyang; Chang, Liang; Xie, Jun; Feng, Enmin; Yin, Hongchao; Xiu, Zhilong

2016-09-01

Time-delay dynamical systems, which depend on both the current state of the system and the state at delayed times, have been an active area of research in many real-world applications. In this paper, we consider a nonlinear time-delay dynamical system of dha-regulonwith unknown time-delays in batch culture of glycerol bioconversion to 1,3-propanediol induced by Klebsiella pneumonia. Some important properties and strong positive invariance are discussed. Because of the difficulty in accurately measuring the concentrations of intracellular substances and the absence of equilibrium points for the time-delay system, a quantitative biological robustness for the concentrations of intracellular substances is defined by penalizing a weighted sum of the expectation and variance of the relative deviation between system outputs before and after the time-delays are perturbed. Our goal is to determine optimal values of the time-delays. To this end, we formulate an optimization problem in which the time delays are decision variables and the cost function is to minimize the biological robustness. This optimization problem is subject to the time-delay system, parameter constraints, continuous state inequality constraints for ensuring that the concentrations of extracellular and intracellular substances lie within specified limits, a quality constraint to reflect operational requirements and a cost sensitivity constraint for ensuring that an acceptable level of the system performance is achieved. It is approximated as a sequence of nonlinear programming sub-problems through the application of constraint transcription and local smoothing approximation techniques. Due to the highly complex nature of this optimization problem, the computational cost is high. Thus, a parallel algorithm is proposed to solve these nonlinear programming sub-problems based on the filled function method. Finally, it is observed that the obtained optimal estimates for the time-delays are highly satisfactory via numerical simulations.

Dynamical cluster approximation plus semiclassical approximation study for a Mott insulator and d-wave pairing

NASA Astrophysics Data System (ADS)

Kim, SungKun; Lee, Hunpyo

2017-06-01

Via a dynamical cluster approximation with N c = 4 in combination with a semiclassical approximation (DCA+SCA), we study the doped two-dimensional Hubbard model. We obtain a plaquette antiferromagnetic (AF) Mott insulator, a plaquette AF ordered metal, a pseudogap (or d-wave superconductor) and a paramagnetic metal by tuning the doping concentration. These features are similar to the behaviors observed in copper-oxide superconductors and are in qualitative agreement with the results calculated by the cluster dynamical mean field theory with the continuous-time quantum Monte Carlo (CDMFT+CTQMC) approach. The results of our DCA+SCA differ from those of the CDMFT+CTQMC approach in that the d-wave superconducting order parameters are shown even in the high doped region, unlike the results of the CDMFT+CTQMC approach. We think that the strong plaquette AF orderings in the dynamical cluster approximation (DCA) with N c = 4 suppress superconducting states with increasing doping up to strongly doped region, because frozen dynamical fluctuations in a semiclassical approximation (SCA) approach are unable to destroy those orderings. Our calculation with short-range spatial fluctuations is initial research, because the SCA can manage long-range spatial fluctuations in feasible computational times beyond the CDMFT+CTQMC tool. We believe that our future DCA+SCA calculations should supply information on the fully momentum-resolved physical properties, which could be compared with the results measured by angle-resolved photoemission spectroscopy experiments.

Real-time management of a multipurpose water reservoir with a heteroscedastic inflow model

NASA Astrophysics Data System (ADS)

Pianosi, F.; Soncini-Sessa, R.

2009-10-01

Stochastic dynamic programming has been extensively used as a method for designing optimal regulation policies for water reservoirs. However, the potential of this method is dramatically reduced by its computational burden, which often forces to introduce strong approximations in the model of the system, especially in the description of the reservoir inflow. In this paper, an approach to partially remedy this problem is proposed and applied to a real world case study. It foresees solving the management problem on-line, using a reduced model of the system and the inflow forecast provided by a dynamic model. By doing so, all the hydrometeorological information that is available in real-time is fully exploited. The model here proposed for the inflow forecasting is a nonlinear, heteroscedastic model that provides both the expected value and the standard deviation of the inflow through dynamic relations. The effectiveness of such model for the purpose of the reservoir regulation is evaluated through simulation and comparison with the results provided by conventional homoscedastic inflow models.

Impact Landing Dynamics Facility Crash Test

NASA Image and Video Library

1975-08-03

Photographed on: 08/03/75. -- By 1972 the Lunar Landing Research Facility was no longer in use for its original purpose. The 400-foot high structure was swiftly modified to allow engineers to study the dynamics of aircraft crashes. "The Impact Dynamics Research Facility is used to conduct crash testing of full-scale aircraft under controlled conditions. The aircraft are swung by cables from an A-frame structure that is approximately 400 ft. long and 230 foot high. The impact runway can be modified to simulate other grand crash environments, such as packed dirt, to meet a specific test requirement." "In 1972, NASA and the FAA embarked on a cooperative effort to develop technology for improved crashworthiness and passenger survivability in general aviation aircraft with little or no increase in weight and acceptable cost. Since then, NASA has "crashed" dozens of GA aircraft by using the lunar excursion module (LEM) facility originally built for the Apollo program." This photograph shows Crash Test No. 7. Crash Test: Test #7

Approximated Stable Inversion for Nonlinear Systems with Nonhyperbolic Internal Dynamics. Revised

NASA Technical Reports Server (NTRS)

Devasia, Santosh

1999-01-01

A technique to achieve output tracking for nonminimum phase nonlinear systems with non- hyperbolic internal dynamics is presented. The present paper integrates stable inversion techniques (that achieve exact-tracking) with approximation techniques (that modify the internal dynamics) to circumvent the nonhyperbolicity of the internal dynamics - this nonhyperbolicity is an obstruction to applying presently available stable inversion techniques. The theory is developed for nonlinear systems and the method is applied to a two-cart with inverted-pendulum example.

WavePacket: A Matlab package for numerical quantum dynamics.II: Open quantum systems, optimal control, and model reduction

NASA Astrophysics Data System (ADS)

Schmidt, Burkhard; Hartmann, Carsten

2018-07-01

WavePacket is an open-source program package for numeric simulations in quantum dynamics. It can solve time-independent or time-dependent linear Schrödinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows, e.g., to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semi-classical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. Being highly versatile and offering visualization of quantum dynamics 'on the fly', WavePacket is well suited for teaching or research projects in atomic, molecular and optical physics as well as in physical or theoretical chemistry. Building on the previous Part I [Comp. Phys. Comm. 213, 223-234 (2017)] which dealt with closed quantum systems and discrete variable representations, the present Part II focuses on the dynamics of open quantum systems, with Lindblad operators modeling dissipation and dephasing. This part also describes the WavePacket function for optimal control of quantum dynamics, building on rapid monotonically convergent iteration methods. Furthermore, two different approaches to dimension reduction implemented in WavePacket are documented here. In the first one, a balancing transformation based on the concepts of controllability and observability Gramians is used to identify states that are neither well controllable nor well observable. Those states are either truncated or averaged out. In the other approach, the H2-error for a given reduced dimensionality is minimized by H2 optimal model reduction techniques, utilizing a bilinear iterative rational Krylov algorithm. The present work describes the MATLAB version of WavePacket 5.3.0 which is hosted and further developed at the Sourceforge platform, where also extensive Wiki-documentation as well as numerous worked-out demonstration examples with animated graphics can be found.

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.

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

NASA Astrophysics Data System (ADS)

Zhou, Da; Qian, Hong

2011-09-01

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

Adaptive Sliding Mode Control of Dynamic Systems Using Double Loop Recurrent Neural Network Structure.

PubMed

Fei, Juntao; Lu, Cheng

2018-04-01

In this paper, an adaptive sliding mode control system using a double loop recurrent neural network (DLRNN) structure is proposed for a class of nonlinear dynamic systems. A new three-layer RNN is proposed to approximate unknown dynamics with two different kinds of feedback loops where the firing weights and output signal calculated in the last step are stored and used as the feedback signals in each feedback loop. Since the new structure has combined the advantages of internal feedback NN and external feedback NN, it can acquire the internal state information while the output signal is also captured, thus the new designed DLRNN can achieve better approximation performance compared with the regular NNs without feedback loops or the regular RNNs with a single feedback loop. The new proposed DLRNN structure is employed in an equivalent controller to approximate the unknown nonlinear system dynamics, and the parameters of the DLRNN are updated online by adaptive laws to get favorable approximation performance. To investigate the effectiveness of the proposed controller, the designed adaptive sliding mode controller with the DLRNN is applied to a -axis microelectromechanical system gyroscope to control the vibrating dynamics of the proof mass. Simulation results demonstrate that the proposed methodology can achieve good tracking property, and the comparisons of the approximation performance between radial basis function NN, RNN, and DLRNN show that the DLRNN can accurately estimate the unknown dynamics with a fast speed while the internal states of DLRNN are more stable.

Retrospective cost-effectiveness analyses for polio vaccination in the United States.

PubMed

Thompson, Kimberly M; Tebbens, Radboud J Duintjer

2006-12-01

The history of polio vaccination in the United States spans 50 years and includes different phases of the disease, multiple vaccines, and a sustained significant commitment of resources. We estimated cost-effectiveness ratios and assessed the net benefits of polio vaccination applicable at various points in time from the societal perspective and we discounted these back to appropriate points in time. We reconstructed vaccine price data from available sources and used these to retrospectively estimate the total costs of the U.S. historical polio vaccination strategies (all costs reported in year 2002 dollars). We estimate that the United States invested approximately US dollars 35 billion (1955 net present value, discount rate of 3%) in polio vaccines between 1955 and 2005 and will invest approximately US dollars 1.4 billion (1955 net present value, or US dollars 6.3 billion in 2006 net present value) between 2006 and 2015 assuming a policy of continued use of inactivated poliovirus vaccine (IPV) for routine vaccination. The historical and future investments translate into over 1.7 billion vaccinations that prevent approximately 1.1 million cases of paralytic polio and over 160,000 deaths (1955 net present values of approximately 480,000 cases and 73,000 deaths). Due to treatment cost savings, the investment implies net benefits of approximately US dollars 180 billion (1955 net present value), even without incorporating the intangible costs of suffering and death and of averted fear. Retrospectively, the U.S. investment in polio vaccination represents a highly valuable, cost-saving public health program. Observed changes in the cost-effectiveness ratio estimates over time suggest the need for living economic models for interventions that appropriately change with time. This article also demonstrates that estimates of cost-effectiveness ratios at any single time point may fail to adequately consider the context of the investment made to date and the importance of population and other dynamics, and shows the importance of dynamic modeling.

Individual-based approach to epidemic processes on arbitrary dynamic contact networks

NASA Astrophysics Data System (ADS)

Rocha, Luis E. C.; Masuda, Naoki

2016-08-01

The dynamics of contact networks and epidemics of infectious diseases often occur on comparable time scales. Ignoring one of these time scales may provide an incomplete understanding of the population dynamics of the infection process. We develop an individual-based approximation for the susceptible-infected-recovered epidemic model applicable to arbitrary dynamic networks. Our framework provides, at the individual-level, the probability flow over time associated with the infection dynamics. This computationally efficient framework discards the correlation between the states of different nodes, yet provides accurate results in approximating direct numerical simulations. It naturally captures the temporal heterogeneities and correlations of contact sequences, fundamental ingredients regulating the timing and size of an epidemic outbreak, and the number of secondary infections. The high accuracy of our approximation further allows us to detect the index individual of an epidemic outbreak in real-life network data.

Simulation gravity modeling to spacecraft-tracking data - Analysis and application

NASA Technical Reports Server (NTRS)

Phillips, R. J.; Sjogren, W. L.; Abbott, E. A.; Zisk, S. H.

1978-01-01

It is proposed that line-of-sight gravity measurements derived from spacecraft-tracking data can be used for quantitative subsurface density modeling by suitable orbit simulation procedures. Such an approach avoids complex dynamic reductions and is analogous to the modeling of conventional surface gravity data. This procedure utilizes the vector calculations of a given gravity model in a simplified trajectory integration program that simulates the line-of-sight gravity. Solutions from an orbit simulation inversion and a dynamic inversion on Doppler observables compare well (within 1% in mass and size), and the error sources in the simulation approximation are shown to be quite small. An application of this technique is made to lunar crater gravity anomalies by simulating the complete Bouguer correction to several large young lunar craters. It is shown that the craters all have negative Bouguer anomalies.

A new approach of optimal control for a class of continuous-time chaotic systems by an online ADP algorithm

NASA Astrophysics Data System (ADS)

Song, Rui-Zhuo; Xiao, Wen-Dong; Wei, Qing-Lai

2014-05-01

We develop an online adaptive dynamic programming (ADP) based optimal control scheme for continuous-time chaotic systems. The idea is to use the ADP algorithm to obtain the optimal control input that makes the performance index function reach an optimum. The expression of the performance index function for the chaotic system is first presented. The online ADP algorithm is presented to achieve optimal control. In the ADP structure, neural networks are used to construct a critic network and an action network, which can obtain an approximate performance index function and the control input, respectively. It is proven that the critic parameter error dynamics and the closed-loop chaotic systems are uniformly ultimately bounded exponentially. Our simulation results illustrate the performance of the established optimal control method.

An adaptive critic-based scheme for consensus control of nonlinear multi-agent systems

NASA Astrophysics Data System (ADS)

Heydari, Ali; Balakrishnan, S. N.

2014-12-01

The problem of decentralised consensus control of a network of heterogeneous nonlinear systems is formulated as an optimal tracking problem and a solution is proposed using an approximate dynamic programming based neurocontroller. The neurocontroller training comprises an initial offline training phase and an online re-optimisation phase to account for the fact that the reference signal subject to tracking is not fully known and available ahead of time, i.e., during the offline training phase. As long as the dynamics of the agents are controllable, and the communication graph has a directed spanning tree, this scheme guarantees the synchronisation/consensus even under switching communication topology and directed communication graph. Finally, an aerospace application is selected for the evaluation of the performance of the method. Simulation results demonstrate the potential of the scheme.

LATDYN - PROGRAM FOR SIMULATION OF LARGE ANGLE TRANSIENT DYNAMICS OF FLEXIBLE AND RIGID STRUCTURES

NASA Technical Reports Server (NTRS)

Housner, J. M.

1994-01-01

LATDYN is a computer code for modeling the Large Angle Transient DYNamics of flexible articulating structures and mechanisms involving joints about which members rotate through large angles. LATDYN extends and brings together some of the aspects of Finite Element Structural Analysis, Multi-Body Dynamics, and Control System Analysis; three disciplines that have been historically separate. It combines significant portions of their distinct capabilities into one single analysis tool. The finite element formulation for flexible bodies in LATDYN extends the conventional finite element formulation by using a convected coordinate system for constructing the equation of motion. LATDYN's formulation allows for large displacements and rotations of finite elements subject to the restriction that deformations within each are small. Also, the finite element approach implemented in LATDYN provides a convergent path for checking solutions simply by increasing mesh density. For rigid bodies and joints LATDYN borrows extensively from methodology used in multi-body dynamics where rigid bodies may be defined and connected together through joints (hinges, ball, universal, sliders, etc.). Joints may be modeled either by constraints or by adding joint degrees of freedom. To eliminate error brought about by the separation of structural analysis and control analysis, LATDYN provides symbolic capabilities for modeling control systems which are integrated with the structural dynamic analysis itself. Its command language contains syntactical structures which perform symbolic operations which are also interfaced directly with the finite element structural model, bypassing the modal approximation. Thus, when the dynamic equations representing the structural model are integrated, the equations representing the control system are integrated along with them as a coupled system. This procedure also has the side benefit of enabling a dramatic simplification of the user interface for modeling control systems. Three FORTRAN computer programs, the LATDYN Program, the Preprocessor, and the Postprocessor, make up the collective LATDYN System. The Preprocessor translates user commands into a form which can be used while the LATDYN program provides the computational core. The Postprocessor allows the user to interactively plot and manage a database of LATDYN transient analysis results. It also includes special facilities for modeling control systems and for programming changes to the model which take place during analysis sequence. The documentation includes a Demonstration Problem Manual for the evaluation and verification of results and a Postprocessor guide. Because the program should be viewed as a byproduct of research on technology development, LATDYN's scope is limited. It does not have a wide library of finite elements, and 3-D Graphics are not available. Nevertheless, it does have a measure of "user friendliness". The LATDYN program was developed over a period of several years and was implemented on a CDC NOS/VE & Convex Unix computer. It is written in FORTRAN 77 and has a virtual memory requirement of 1.46 MB. The program was validated on a DEC MICROVAX operating under VMS 5.2.

Families of FPGA-Based Accelerators for Approximate String Matching1

PubMed Central

Van Court, Tom; Herbordt, Martin C.

2011-01-01

Dynamic programming for approximate string matching is a large family of different algorithms, which vary significantly in purpose, complexity, and hardware utilization. Many implementations have reported impressive speed-ups, but have typically been point solutions – highly specialized and addressing only one or a few of the many possible options. The problem to be solved is creating a hardware description that implements a broad range of behavioral options without losing efficiency due to feature bloat. We report a set of three component types that address different parts of the approximate string matching problem. This allows each application to choose the feature set required, then make maximum use of the FPGA fabric according to that application’s specific resource requirements. Multiple, interchangeable implementations are available for each component type. We show that these methods allow the efficient generation of a large, if not complete, family of accelerators for this application. This flexibility was obtained while retaining high performance: We have evaluated a sample against serial reference codes and found speed-ups of from 150× to 400× over a high-end PC. PMID:21603598

First principles calculation of thermo-mechanical properties of thoria using Quantum ESPRESSO

NASA Astrophysics Data System (ADS)

Malakkal, Linu; Szpunar, Barbara; Zuniga, Juan Carlos; Siripurapu, Ravi Kiran; Szpunar, Jerzy A.

2016-05-01

In this work, we have used Quantum ESPRESSO (QE), an open source first principles code, based on density-functional theory, plane waves, and pseudopotentials, along with quasi-harmonic approximation (QHA) to calculate the thermo-mechanical properties of thorium dioxide (ThO2). Using Python programming language, our group developed qe-nipy-advanced, an interface to QE, which can evaluate the structural and thermo-mechanical properties of materials. We predicted the phonon contribution to thermal conductivity (kL) using the Slack model. We performed the calculations within local density approximation (LDA) and generalized gradient approximation (GGA) with the recently proposed version for solids (PBEsol). We employed a Monkhorst-Pack 5 × 5 × 5 k-points mesh in reciprocal space with a plane wave cut-off energy of 150 Ry to obtain the convergence of the structure. We calculated the dynamical matrices of the lattice on a 4 × 4 × 4 mesh. We have predicted the heat capacity, thermal expansion and the phonon contribution to thermal conductivity, as a function of temperature up to 1400K, and compared them with the previous work and known experimental results.

Emergency in-flight egress opening for general aviation aircraft

NASA Technical Reports Server (NTRS)

Bement, L. J.

1980-01-01

In support of a stall/spin research program, an emergency in-flight egress system is being installed in a light general aviation airplane. To avoid a major structural redesign for a mechanical door, an add-on 11.2 kg pyrotechnic-actuated system was developed to create an opening in the existing structure. The airplane skin will be explosively severed around the side window, across a central stringer, and down to the floor, creating an opening of approximately 76 by 76 cm. The severed panel will be jettisoned at an initial velocity of approximately 13.7 m/sec. System development included a total of 68 explosive severance tests on aluminum material using small samples, small and full scale flat panel aircraft structural mock-ups, and an actual aircraft fuselage. These tests proved explosive sizing/severance margins, explosive initiation, explosive product containment, and system dynamics.

Approximate probabilistic cellular automata for the dynamics of single-species populations under discrete logisticlike growth with and without weak Allee effects.

PubMed

Mendonça, J Ricardo G; Gevorgyan, Yeva

2017-05-01

We investigate one-dimensional elementary probabilistic cellular automata (PCA) whose dynamics in first-order mean-field approximation yields discrete logisticlike growth models for a single-species unstructured population with nonoverlapping generations. Beginning with a general six-parameter model, we find constraints on the transition probabilities of the PCA that guarantee that the ensuing approximations make sense in terms of population dynamics and classify the valid combinations thereof. Several possible models display a negative cubic term that can be interpreted as a weak Allee factor. We also investigate the conditions under which a one-parameter PCA derived from the more general six-parameter model can generate valid population growth dynamics. Numerical simulations illustrate the behavior of some of the PCA found.

High Altitude Supersonic Decelerator Test Vehicle

NASA Technical Reports Server (NTRS)

Cook, Brant T.; Blando, Guillermo; Kennett, Andrew; Von Der Heydt, Max; Wolff, John Luke; Yerdon, Mark

2013-01-01

The Low Density Supersonic Decelerator (LDSD) project is tasked by NASA's Office of the Chief Technologist (OCT) to advance the state of the art in Mars entry and descent technology in order to allow for larger payloads to be delivered to Mars at higher altitudes with better accuracy. The project will develop a 33.5 m Do Supersonic Ringsail (SSRS) parachute, 6m attached torus, robotic class Supersonic Inflatable Aerodynamic Decelerator (SIAD-R), and an 8 m attached isotensoid, exploration class Supersonic Inflatable Aerodynamic Decelerator (SIAD-E). The SSRS and SIAD-R should be brought to TRL-6, while the SIAD-E should be brought to TRL-5. As part of the qualification and development program, LDSD must perform a Mach-scaled Supersonic Flight Dynamics Test (SFDT) in order to demonstrate successful free flight dynamic deployments at Mars equivalent altitude, of all three technologies. In order to perform these tests, LDSD must design and build a test vehicle to deliver all technologies to approximately 180,000 ft and Mach 4, deploy a SIAD, free fly to approximately Mach 2, deploy the SSRS, record high-speed and high-resolution imagery of both deployments, as well as record data from an instrumentation suite capable of characterizing the technology induced vehicle dynamics. The vehicle must also be recoverable after splashdown into the ocean under a nominal flight, while guaranteeing forensic data protection in an off nominal catastrophic failure of a test article that could result in a terminal velocity, tumbling water impact.

A dynamic-solver-consistent minimum action method: With an application to 2D Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Wan, Xiaoliang; Yu, Haijun

2017-02-01

This paper discusses the necessity and strategy to unify the development of a dynamic solver and a minimum action method (MAM) for a spatially extended system when employing the large deviation principle (LDP) to study the effects of small random perturbations. A dynamic solver is used to approximate the unperturbed system, and a minimum action method is used to approximate the LDP, which corresponds to solving an Euler-Lagrange equation related to but more complicated than the unperturbed system. We will clarify possible inconsistencies induced by independent numerical approximations of the unperturbed system and the LDP, based on which we propose to define both the dynamic solver and the MAM on the same approximation space for spatial discretization. The semi-discrete LDP can then be regarded as the exact LDP of the semi-discrete unperturbed system, which is a finite-dimensional ODE system. We achieve this methodology for the two-dimensional Navier-Stokes equations using a divergence-free approximation space. The method developed can be used to study the nonlinear instability of wall-bounded parallel shear flows, and be generalized straightforwardly to three-dimensional cases. Numerical experiments are presented.

Searching for globally optimal functional forms for interatomic potentials using genetic programming with parallel tempering.

PubMed

Slepoy, A; Peters, M D; Thompson, A P

2007-11-30

Molecular dynamics and other molecular simulation methods rely on a potential energy function, based only on the relative coordinates of the atomic nuclei. Such a function, called a force field, approximately represents the electronic structure interactions of a condensed matter system. Developing such approximate functions and fitting their parameters remains an arduous, time-consuming process, relying on expert physical intuition. To address this problem, a functional programming methodology was developed that may enable automated discovery of entirely new force-field functional forms, while simultaneously fitting parameter values. The method uses a combination of genetic programming, Metropolis Monte Carlo importance sampling and parallel tempering, to efficiently search a large space of candidate functional forms and parameters. The methodology was tested using a nontrivial problem with a well-defined globally optimal solution: a small set of atomic configurations was generated and the energy of each configuration was calculated using the Lennard-Jones pair potential. Starting with a population of random functions, our fully automated, massively parallel implementation of the method reproducibly discovered the original Lennard-Jones pair potential by searching for several hours on 100 processors, sampling only a minuscule portion of the total search space. This result indicates that, with further improvement, the method may be suitable for unsupervised development of more accurate force fields with completely new functional forms. Copyright (c) 2007 Wiley Periodicals, Inc.

Prediction of novel alloy phases of Al with Sc or Ta

PubMed Central

Bilić, Ante; Gale, Julian D.; Gibson, Mark A.; Wilson, Nick; McGregor, Kathie

2015-01-01

Using the evolutionary optimization algorithm, as implemented in the USPEX crystal predictor program, and first principles total energy calculations, the compositional phase diagrams for Al-Sc and Al-Ta alloy systems at zero temperature and pressure have been calculated. In addition to the known binary intermetallic phases, new potentially stable alloys, AlSc3 and AlTa7, have been identified in the Al-poor region of the phase diagram. The dynamic and thermal stability of their lattices has been confirmed from the calculated vibrational normal mode spectra in the harmonic approximation. PMID:25950915

Physical foundation of the fluid particle dynamics method for colloid dynamics simulation.

PubMed

Furukawa, Akira; Tateno, Michio; Tanaka, Hajime

2018-05-16

Colloid dynamics is significantly influenced by many-body hydrodynamic interactions mediated by a suspending fluid. However, theoretical and numerical treatments of such interactions are extremely difficult. To overcome this situation, we developed a fluid particle dynamics (FPD) method [H. Tanaka and T. Araki, Phys. Rev. Lett., 2000, 35, 3523], which is based on two key approximations: (i) a colloidal particle is treated as a highly viscous particle and (ii) the viscosity profile is described by a smooth interfacial profile function. Approximation (i) makes our method free from the solid-fluid boundary condition, significantly simplifying the treatment of many-body hydrodynamic interactions while satisfying the incompressible condition without the Stokes approximation. Approximation (ii) allows us to incorporate an extra degree of freedom in a fluid, e.g., orientational order and concentration, as an additional field variable. Here, we consider two fundamental problems associated with these approximations. One is the introduction of thermal noise and the other is the incorporation of coupling of the colloid surface with an order parameter introduced into a fluid component, which is crucial when considering colloidal particles suspended in a complex fluid. Here, we show that our FPD method makes it possible to simulate colloid dynamics properly while including full hydrodynamic interactions, inertia effects, incompressibility, thermal noise, and additional degrees of freedom of a fluid, which may be relevant for wide applications in colloidal and soft matter science.

Approximation concepts for efficient structural synthesis

NASA Technical Reports Server (NTRS)

Schmit, L. A., Jr.; Miura, H.

1976-01-01

It is shown that efficient structural synthesis capabilities can be created by using approximation concepts to mesh finite element structural analysis methods with nonlinear mathematical programming techniques. The history of the application of mathematical programming techniques to structural design optimization problems is reviewed. Several rather general approximation concepts are described along with the technical foundations of the ACCESS 1 computer program, which implements several approximation concepts. A substantial collection of structural design problems involving truss and idealized wing structures is presented. It is concluded that since the basic ideas employed in creating the ACCESS 1 program are rather general, its successful development supports the contention that the introduction of approximation concepts will lead to the emergence of a new generation of practical and efficient, large scale, structural synthesis capabilities in which finite element analysis methods and mathematical programming algorithms will play a central role.

A hybrid approach to modeling and control of vehicle height for electronically controlled air suspension

NASA Astrophysics Data System (ADS)

Sun, Xiaoqiang; Cai, Yingfeng; Wang, Shaohua; Liu, Yanling; Chen, Long

2016-01-01

The control problems associated with vehicle height adjustment of electronically controlled air suspension (ECAS) still pose theoretical challenges for researchers, which manifest themselves in the publications on this subject over the last years. This paper deals with modeling and control of a vehicle height adjustment system for ECAS, which is an example of a hybrid dynamical system due to the coexistence and coupling of continuous variables and discrete events. A mixed logical dynamical (MLD) modeling approach is chosen for capturing enough details of the vehicle height adjustment process. The hybrid dynamic model is constructed on the basis of some assumptions and piecewise linear approximation for components nonlinearities. Then, the on-off statuses of solenoid valves and the piecewise approximation process are described by propositional logic, and the hybrid system is transformed into the set of linear mixed-integer equalities and inequalities, denoted as MLD model, automatically by HYSDEL. Using this model, a hybrid model predictive controller (HMPC) is tuned based on online mixed-integer quadratic optimization (MIQP). Two different scenarios are considered in the simulation, whose results verify the height adjustment effectiveness of the proposed approach. Explicit solutions of the controller are computed to control the vehicle height adjustment system in realtime using an offline multi-parametric programming technology (MPT), thus convert the controller into an equivalent explicit piecewise affine form. Finally, bench experiments for vehicle height lifting, holding and lowering procedures are conducted, which demonstrate that the HMPC can adjust the vehicle height by controlling the on-off statuses of solenoid valves directly. This research proposes a new modeling and control method for vehicle height adjustment of ECAS, which leads to a closed-loop system with favorable dynamical properties.

Development of a three-dimensional core dynamics analysis program for commercial boiling water reactors

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

Bessho, Yasunori; Yokomizo, Osamu; Yoshimoto, Yuichiro

1997-03-01

Development and qualification results are described for a three-dimensional, time-domain core dynamics analysis program for commercial boiling water reactors (BWRs). The program allows analysis of the reactor core with a detailed mesh division, which eliminates calculational ambiguity in the nuclear-thermal-hydraulic stability analysis caused by reactor core regional division. During development, emphasis was placed on high calculational speed and large memory size as attained by the latest supercomputer technology. The program consists of six major modules, namely a core neutronics module, a fuel heat conduction/transfer module, a fuel channel thermal-hydraulic module, an upper plenum/separator module, a feedwater/recirculation flow module, and amore » control system module. Its core neutronics module is based on the modified one-group neutron kinetics equation with the prompt jump approximation and with six delayed neutron precursor groups. The module is used to analyze one fuel bundle of the reactor core with one mesh (region). The fuel heat conduction/transfer module solves the one-dimensional heat conduction equation in the radial direction with ten nodes in the fuel pin. The fuel channel thermal-hydraulic module is based on separated three-equation, two-phase flow equations with the drift flux correlation, and it analyzes one fuel bundle of the reactor core with one channel to evaluate flow redistribution between channels precisely. Thermal margin is evaluated by using the GEXL correlation, for example, in the module.« less

Multiconfigurational short-range density-functional theory for open-shell systems

NASA Astrophysics Data System (ADS)

Hedegârd, Erik Donovan; Toulouse, Julien; Jensen, Hans Jørgen Aagaard

2018-06-01

Many chemical systems cannot be described by quantum chemistry methods based on a single-reference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important configurations (static correlation) and obtaining dynamical correlation efficiently. The former is most naturally done through a multiconfigurational (MC) wave function, whereas the latter can be done by, e.g., perturbation theory. We have employed a different strategy, namely, a hybrid between multiconfigurational wave functions and density-functional theory (DFT) based on range separation. The method is denoted by MC short-range DFT (MC-srDFT) and is more efficient than perturbative approaches as it capitalizes on the efficient treatment of the (short-range) dynamical correlation by DFT approximations. In turn, the method also improves DFT with standard approximations through the ability of multiconfigurational wave functions to recover large parts of the static correlation. Until now, our implementation was restricted to closed-shell systems, and to lift this restriction, we present here the generalization of MC-srDFT to open-shell cases. The additional terms required to treat open-shell systems are derived and implemented in the DALTON program. This new method for open-shell systems is illustrated on dioxygen and [Fe(H2O)6]3+.

Chemically reacting fluid flow in exoplanet and brown dwarf atmospheres

NASA Astrophysics Data System (ADS)

Bordwell, Baylee; Brown, Benjamin P.; Oishi, Jeffrey S.

2016-11-01

In the past few decades, spectral observations of planets and brown dwarfs have demonstrated significant deviations from predictions in certain chemical abundances. Starting with Jupiter, these deviations were successfully explained to be the effect of fast dynamics on comparatively slow chemical reactions. These dynamical effects are treated using mixing length theory in what is known as the "quench" approximation. In these objects, however, both radiative and convective zones are present, and it is not clear that this approximation applies. To resolve this issue, we solve the fully compressible equations of fluid dynamics in a matched polytropic atmosphere using the state-of-the-art pseudospectral simulation framework Dedalus. Through the inclusion of passive tracers, we explore the transport properties of convective and radiative zones, and verify the classical eddy diffusion parameterization. With the addition of active tracers, we examine the interactions between dynamical and chemical processes using abstract chemical reactions. By locating the quench point (the point at which the dynamical and chemical timescales are the same) in different dynamical regimes, we test the quench approximation, and generate prescriptions for the exoplanet and brown dwarf communities.

Heisenberg operator approach for spin squeezing dynamics

NASA Astrophysics Data System (ADS)

Bhattacherjee, Aranya Bhuti; Sharma, Deepti; Pelster, Axel

2017-12-01

We reconsider the one-axis twisting Hamiltonian, which is commonly used for generating spin squeezing, and treat its dynamics within the Heisenberg operator approach. To this end we solve the underlying Heisenberg equations of motion perturbatively and evaluate the expectation values of the resulting time-dependent Heisenberg operators in order to determine approximately the dynamics of spin squeezing. Comparing our results with those originating from exact numerics reveals that they are more accurate than the commonly used frozen spin approximation.

Kinetic description of ionospheric dynamics in the three-fluid approximation

NASA Technical Reports Server (NTRS)

Comfort, R. H.

1975-01-01

Conservation equations are developed in the three-fluid approximation for general application problems of ionospheric dynamics in the altitude region 90 km to 800 km for all geographic locations. These equations are applied to a detailed study of auroral E region neutral winds and their relationship to ionospheric plasma motions.

Adaptive dynamic programming approach to experience-based systems identification and control.

PubMed

Lendaris, George G

2009-01-01

Humans have the ability to make use of experience while selecting their control actions for distinct and changing situations, and their process speeds up and have enhanced effectiveness as more experience is gained. In contrast, current technological implementations slow down as more knowledge is stored. A novel way of employing Approximate (or Adaptive) Dynamic Programming (ADP) is described that shifts the underlying Adaptive Critic type of Reinforcement Learning method "up a level", away from designing individual (optimal) controllers to that of developing on-line algorithms that efficiently and effectively select designs from a repository of existing controller solutions (perhaps previously developed via application of ADP methods). The resulting approach is called Higher-Level Learning Algorithm. The approach and its rationale are described and some examples of its application are given. The notions of context and context discernment are important to understanding the human abilities noted above. These are first defined, in a manner appropriate to controls and system-identification, and as a foundation relating to the application arena, a historical view of the various phases during development of the controls field is given, organized by how the notion 'context' was, or was not, involved in each phase.

Learning-Based Adaptive Optimal Tracking Control of Strict-Feedback Nonlinear Systems.

PubMed

Gao, Weinan; Jiang, Zhong-Ping; Weinan Gao; Zhong-Ping Jiang; Gao, Weinan; Jiang, Zhong-Ping

2018-06-01

This paper proposes a novel data-driven control approach to address the problem of adaptive optimal tracking for a class of nonlinear systems taking the strict-feedback form. Adaptive dynamic programming (ADP) and nonlinear output regulation theories are integrated for the first time to compute an adaptive near-optimal tracker without any a priori knowledge of the system dynamics. Fundamentally different from adaptive optimal stabilization problems, the solution to a Hamilton-Jacobi-Bellman (HJB) equation, not necessarily a positive definite function, cannot be approximated through the existing iterative methods. This paper proposes a novel policy iteration technique for solving positive semidefinite HJB equations with rigorous convergence analysis. A two-phase data-driven learning method is developed and implemented online by ADP. The efficacy of the proposed adaptive optimal tracking control methodology is demonstrated via a Van der Pol oscillator with time-varying exogenous signals.

Watershed-based point sources permitting strategy and dynamic permit-trading analysis.

PubMed

Ning, Shu-Kuang; Chang, Ni-Bin

2007-09-01

Permit-trading policy in a total maximum daily load (TMDL) program may provide an additional avenue to produce environmental benefit, which closely approximates what would be achieved through a command and control approach, with relatively lower costs. One of the important considerations that might affect the effective trading mechanism is to determine the dynamic transaction prices and trading ratios in response to seasonal changes of assimilative capacity in the river. Advanced studies associated with multi-temporal spatially varied trading ratios among point sources to manage water pollution hold considerable potential for industries and policy makers alike. This paper aims to present an integrated simulation and optimization analysis for generating spatially varied trading ratios and evaluating seasonal transaction prices accordingly. It is designed to configure a permit-trading structure basin-wide and provide decision makers with a wealth of cost-effective, technology-oriented, risk-informed, and community-based management strategies. The case study, seamlessly integrating a QUAL2E simulation model with an optimal waste load allocation (WLA) scheme in a designated TMDL study area, helps understand the complexity of varying environmental resources values over space and time. The pollutants of concern in this region, which are eligible for trading, mainly include both biochemical oxygen demand (BOD) and ammonia-nitrogen (NH3-N). The problem solution, as a consequence, suggests an array of waste load reduction targets in a well-defined WLA scheme and exhibits a dynamic permit-trading framework among different sub-watersheds in the study area. Research findings gained in this paper may extend to any transferable dynamic-discharge permit (TDDP) program worldwide.

Design and performance analysis of solid-propellant rocket motors using a simplified computer program

NASA Technical Reports Server (NTRS)

Sforzini, R. H.

1972-01-01

An analysis and a computer program are presented which represent a compromise between the more sophisticated programs using precise burning geometric relations and the textbook type of solutions. The program requires approximately 900 computer cards including a set of 20 input data cards required for a typical problem. The computer operating time for a single configuration is approximately 1 minute and 30 seconds on the IBM 360 computer. About l minute and l5 seconds of the time is compilation time so that additional configurations input at the same time require approximately 15 seconds each. The program uses approximately 11,000 words on the IBM 360. The program is written in FORTRAN 4 and is readily adaptable for use on a number of different computers: IBM 7044, IBM 7094, and Univac 1108.

A computer program for calculation of approximate embryo/fetus radiation dose in nuclear medicine applications.

PubMed

Bayram, Tuncay; Sönmez, Bircan

2012-04-01

In this study, we aimed to make a computer program that calculates approximate radiation dose received by embryo/fetus in nuclear medicine applications. Radiation dose values per MBq-1 received by embryo/fetus in nuclear medicine applications were gathered from literature for various stages of pregnancy. These values were embedded in the computer code, which was written in Fortran 90 program language. The computer program called nmfdose covers almost all radiopharmaceuticals used in nuclear medicine applications. Approximate radiation dose received by embryo/fetus can be calculated easily at a few steps using this computer program. Although there are some constraints on using the program for some special cases, nmfdose is useful and it provides practical solution for calculation of approximate dose to embryo/fetus in nuclear medicine applications. None declared.

Computational fluid dynamics at NASA Ames and the numerical aerodynamic simulation program

NASA Technical Reports Server (NTRS)

Peterson, V. L.

1985-01-01

Computers are playing an increasingly important role in the field of aerodynamics such as that they now serve as a major complement to wind tunnels in aerospace research and development. Factors pacing advances in computational aerodynamics are identified, including the amount of computational power required to take the next major step in the discipline. The four main areas of computational aerodynamics research at NASA Ames Research Center which are directed toward extending the state of the art are identified and discussed. Example results obtained from approximate forms of the governing equations are presented and discussed, both in the context of levels of computer power required and the degree to which they either further the frontiers of research or apply to programs of practical importance. Finally, the Numerical Aerodynamic Simulation Program--with its 1988 target of achieving a sustained computational rate of 1 billion floating-point operations per second--is discussed in terms of its goals, status, and its projected effect on the future of computational aerodynamics.

The Magnetospheric Constellation Mission. Dynamic Response and Coupling Observatory (DRACO): Understanding the Global Dynamics of the Structured Magnetotail

NASA Technical Reports Server (NTRS)

2001-01-01

Magnetospheric Constellation Dynamic Response and Coupling Observatory (DRACO) is the Solar Terrestrial Probe (STP) designed to understand the nonlinear dynamics, responses, and connections within the Earth's structured magnetotail, using a constellation of approximately 50 to 100 distributed vector measurement spacecraft. DRACO will reveal magnetotail processes operating within a domain extending 20 Earth radii (R(sub E)) across the tail and 40 R(sub E)down the tail, on spatial and time scales accessible to global circulation models, i.e., approximately 2 R(sub E) and 10 seconds.

The exact thermal rotational spectrum of a two-dimensional rigid rotor obtained using Gaussian wave packet dynamics

NASA Technical Reports Server (NTRS)

Reimers, J. R.; Heller, E. J.

1985-01-01

The exact thermal rotational spectrum of a two-dimensional rigid rotor is obtained using Gaussian wave packet dynamics. The spectrum is obtained by propagating, without approximation, infinite sets of Gaussian wave packets. These sets are constructed so that collectively they have the correct periodicity, and indeed, are coherent states appropriate to this problem. Also, simple, almost classical, approximations to full wave packet dynamics are shown to give results which are either exact or very nearly exact. Advantages of the use of Gaussian wave packet dynamics over conventional linear response theory are discussed.

Sparse dynamics for partial differential equations

PubMed Central

Schaeffer, Hayden; Caflisch, Russel; Hauck, Cory D.; Osher, Stanley

2013-01-01

We investigate the approximate dynamics of several differential equations when the solutions are restricted to a sparse subset of a given basis. The restriction is enforced at every time step by simply applying soft thresholding to the coefficients of the basis approximation. By reducing or compressing the information needed to represent the solution at every step, only the essential dynamics are represented. In many cases, there are natural bases derived from the differential equations, which promote sparsity. We find that our method successfully reduces the dynamics of convection equations, diffusion equations, weak shocks, and vorticity equations with high-frequency source terms. PMID:23533273

Sparse dynamics for partial differential equations.

PubMed

Schaeffer, Hayden; Caflisch, Russel; Hauck, Cory D; Osher, Stanley

2013-04-23

We investigate the approximate dynamics of several differential equations when the solutions are restricted to a sparse subset of a given basis. The restriction is enforced at every time step by simply applying soft thresholding to the coefficients of the basis approximation. By reducing or compressing the information needed to represent the solution at every step, only the essential dynamics are represented. In many cases, there are natural bases derived from the differential equations, which promote sparsity. We find that our method successfully reduces the dynamics of convection equations, diffusion equations, weak shocks, and vorticity equations with high-frequency source terms.

Essential uncontrollability of discrete linear, time-invariant, dynamical systems

NASA Technical Reports Server (NTRS)

Cliff, E. M.

1975-01-01

The concept of a 'best approximating m-dimensional subspace' for a given set of vectors in n-dimensional whole space is introduced. Such a subspace is easily described in terms of the eigenvectors of an associated Gram matrix. This technique is used to approximate an achievable set for a discrete linear time-invariant dynamical system. This approximation characterizes the part of the state space that may be reached using modest levels of control. If the achievable set can be closely approximated by a proper subspace of the whole space then the system is 'essentially uncontrollable'. The notion finds application in studies of failure-tolerant systems, and in decoupling.

Multivariate moment closure techniques for stochastic kinetic models

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

Lakatos, Eszter, E-mail: e.lakatos13@imperial.ac.uk; Ale, Angelique; Kirk, Paul D. W.

2015-09-07

Stochastic effects dominate many chemical and biochemical processes. Their analysis, however, can be computationally prohibitively expensive and a range of approximation schemes have been proposed to lighten the computational burden. These, notably the increasingly popular linear noise approximation and the more general moment expansion methods, perform well for many dynamical regimes, especially linear systems. At higher levels of nonlinearity, it comes to an interplay between the nonlinearities and the stochastic dynamics, which is much harder to capture correctly by such approximations to the true stochastic processes. Moment-closure approaches promise to address this problem by capturing higher-order terms of the temporallymore » evolving probability distribution. Here, we develop a set of multivariate moment-closures that allows us to describe the stochastic dynamics of nonlinear systems. Multivariate closure captures the way that correlations between different molecular species, induced by the reaction dynamics, interact with stochastic effects. We use multivariate Gaussian, gamma, and lognormal closure and illustrate their use in the context of two models that have proved challenging to the previous attempts at approximating stochastic dynamics: oscillations in p53 and Hes1. In addition, we consider a larger system, Erk-mediated mitogen-activated protein kinases signalling, where conventional stochastic simulation approaches incur unacceptably high computational costs.« less

a Numerical Comparison of Langrange and Kane's Methods of AN Arm Segment

NASA Astrophysics Data System (ADS)

Rambely, Azmin Sham; Halim, Norhafiza Ab.; Ahmad, Rokiah Rozita

A 2-D model of a two-link kinematic chain is developed using two dynamics equations of motion, namely Kane's and Lagrange Methods. The dynamics equations are reduced to first order differential equation and solved using modified Euler and fourth order Runge Kutta to approximate the shoulder and elbow joint angles during a smash performance in badminton. Results showed that Runge-Kutta produced a better and exact approximation than that of modified Euler and both dynamic equations produced better absolute errors.

Momentum-space cluster dual-fermion method

NASA Astrophysics Data System (ADS)

Iskakov, Sergei; Terletska, Hanna; Gull, Emanuel

2018-03-01

Recent years have seen the development of two types of nonlocal extensions to the single-site dynamical mean field theory. On one hand, cluster approximations, such as the dynamical cluster approximation, recover short-range momentum-dependent correlations nonperturbatively. On the other hand, diagrammatic extensions, such as the dual-fermion theory, recover long-ranged corrections perturbatively. The correct treatment of both strong short-ranged and weak long-ranged correlations within the same framework is therefore expected to lead to a quick convergence of results, and offers the potential of obtaining smooth self-energies in nonperturbative regimes of phase space. In this paper, we present an exact cluster dual-fermion method based on an expansion around the dynamical cluster approximation. Unlike previous formulations, our method does not employ a coarse-graining approximation to the interaction, which we show to be the leading source of error at high temperature, and converges to the exact result independently of the size of the underlying cluster. We illustrate the power of the method with results for the second-order cluster dual-fermion approximation to the single-particle self-energies and double occupancies.

Modeling the growth dynamics of four candidate crops for Controlled Ecological Life Support Systems (CELSS)

NASA Technical Reports Server (NTRS)

Volk, Tyler

1987-01-01

The production of food for human life support for advanced space missions will require the management of many different crops. The research to design these food production capabilities along with the waste management to recycle human metabolic wastes and inedible plant components are parts of Controlled Ecological Life Support Systems (CELSS). Since complete operating CELSS were not yet built, a useful adjunct to the research developing the various pieces of a CELSS are system simulation models that can examine what is currently known about the possible assembly of subsystems into a full CELSS. The growth dynamics of four crops (wheat, soybeans, potatoes, and lettuce) are examined for their general similarities and differences within the context of their important effects upon the dynamics of the gases, liquids, and solids in the CELSS. Data for the four crops currently under active research in the CELSS program using high-production hydroponics are presented. Two differential equations are developed and applied to the general characteristics of each crop growth pattern. Model parameters are determined by closely approximating each crop's data.

Reproductive Ecology of the Giant African Snail in South Florida: Implications for Eradication Programs.

PubMed

Roda, Amy; Nachman, Gösta; Weihman, Scott; Yong Cong, Mary; Zimmerman, Fredrick

2016-01-01

Giant African snail (Achatina fulica (Bowdich, 1822)), an important invasive snail, was recently found in South Florida, USA. An extensive eradication effort was initiated consisting of pesticide applications, debris removal and hand collections. We studied the reproduction capacity and population dynamics of snails collected from 22 populations for two years to help evaluate the likely success of the eradication program. A total of 23,890 snails, ranging from 25-131 mm, were measured, dissected and the number of eggs in each snail counted. Gravid snails ranged from 48-128 mm. Only 5% of snails had eggs, which were found year round. As the snails increased in size, they were more likely to include reproducing individuals. However, the percentage of gravid snails peaked when snails were approximately 90 mm. Although more prevalent, small (<65 mm) adults contributed fewer eggs to the population than the larger snails. We evaluated the effect of control measures on six populations having >1000 adult snails and used data from the two largest populations to investigate how environmental factors (temperature, humidity, and rainfall) interacted with population dynamics and control measures. More snails were collected in weeks with high humidity and more gravid snails were collected when the temperature was higher. The addition of metaldehyde pesticides had the greatest impact on population dynamics by reducing snail numbers. In populations with fewer snails, their numbers were already declining before the use of metaldehyde, although the new treatment accelerated the process. As a consequence of the eradication program, egg-producing snails were no longer collected from most populations by the end of the study. The aggressive and persistent control efforts apparently lead to reduced populations of egg producing snails, eventually resulting in local extinctions of this important pest.

Reproductive Ecology of the Giant African Snail in South Florida: Implications for Eradication Programs

PubMed Central

2016-01-01

Giant African snail (Achatina fulica (Bowdich, 1822)), an important invasive snail, was recently found in South Florida, USA. An extensive eradication effort was initiated consisting of pesticide applications, debris removal and hand collections. We studied the reproduction capacity and population dynamics of snails collected from 22 populations for two years to help evaluate the likely success of the eradication program. A total of 23,890 snails, ranging from 25–131 mm, were measured, dissected and the number of eggs in each snail counted. Gravid snails ranged from 48–128 mm. Only 5% of snails had eggs, which were found year round. As the snails increased in size, they were more likely to include reproducing individuals. However, the percentage of gravid snails peaked when snails were approximately 90 mm. Although more prevalent, small (<65 mm) adults contributed fewer eggs to the population than the larger snails. We evaluated the effect of control measures on six populations having >1000 adult snails and used data from the two largest populations to investigate how environmental factors (temperature, humidity, and rainfall) interacted with population dynamics and control measures. More snails were collected in weeks with high humidity and more gravid snails were collected when the temperature was higher. The addition of metaldehyde pesticides had the greatest impact on population dynamics by reducing snail numbers. In populations with fewer snails, their numbers were already declining before the use of metaldehyde, although the new treatment accelerated the process. As a consequence of the eradication program, egg-producing snails were no longer collected from most populations by the end of the study. The aggressive and persistent control efforts apparently lead to reduced populations of egg producing snails, eventually resulting in local extinctions of this important pest. PMID:27861504

Spline smoothing of histograms by linear programming

NASA Technical Reports Server (NTRS)

Bennett, J. O.

1972-01-01

An algorithm for an approximating function to the frequency distribution is obtained from a sample of size n. To obtain the approximating function a histogram is made from the data. Next, Euclidean space approximations to the graph of the histogram using central B-splines as basis elements are obtained by linear programming. The approximating function has area one and is nonnegative.

78 FR 60822 - Notice of Funding Availability for the Biorefinery Assistance Program

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-02

... Notice announces approximately $76 million in carry over budget authority that will support a program...(a). B. Statutory Authority. This Program is authorized under 7 U.S.C. 8103. Regulations are... provides approximately $76 million in available budget authority that will support a program level of...

ISAC: A tool for aeroservoelastic modeling and analysis

NASA Technical Reports Server (NTRS)

Adams, William M., Jr.; Hoadley, Sherwood Tiffany

1993-01-01

The capabilities of the Interaction of Structures, Aerodynamics, and Controls (ISAC) system of program modules is discussed. The major modeling, analysis, and data management components of ISAC are identified. Equations of motion are displayed for a Laplace-domain representation of the unsteady aerodynamic forces. Options for approximating a frequency-domain representation of unsteady aerodynamic forces with rational functions of the Laplace variable are shown. Linear time invariant state-space equations of motion that result are discussed. Model generation and analyses of stability and dynamic response characteristics are shown for an aeroelastic vehicle which illustrates some of the capabilities of ISAC as a modeling and analysis tool for aeroelastic applications.

Analysis, simulation and visualization of 1D tapping via reduced dynamical models

NASA Astrophysics Data System (ADS)

Blackmore, Denis; Rosato, Anthony; Tricoche, Xavier; Urban, Kevin; Zou, Luo

2014-04-01

A low-dimensional center-of-mass dynamical model is devised as a simplified means of approximately predicting some important aspects of the motion of a vertical column comprised of a large number of particles subjected to gravity and periodic vertical tapping. This model is investigated first as a continuous dynamical system using analytical, simulation and visualization techniques. Then, by employing an approach analogous to that used to approximate the dynamics of a bouncing ball on an oscillating flat plate, it is modeled as a discrete dynamical system and analyzed to determine bifurcations and transitions to chaotic motion along with other properties. The predictions of the analysis are then compared-primarily qualitatively-with visualization and simulation results of the reduced continuous model, and ultimately with simulations of the complete system dynamics.

A Maxwell-Schrödinger solver for quantum optical few-level systems

NASA Astrophysics Data System (ADS)

Fleischhaker, Robert; Evers, Jörg

2011-03-01

The msprop program presented in this work is capable of solving the Maxwell-Schrödinger equations for one or several laser fields propagating through a medium of quantum optical few-level systems in one spatial dimension and in time. In particular, it allows to numerically treat systems in which a laser field interacts with the medium with both its electric and magnetic component at the same time. The internal dynamics of the few-level system is modeled by a quantum optical master equation which includes coherent processes due to optical transitions driven by the laser fields as well as incoherent processes due to decay and dephasing. The propagation dynamics of the laser fields is treated in slowly varying envelope approximation resulting in a first order wave equation for each laser field envelope function. The program employs an Adams predictor formula second order in time to integrate the quantum optical master equation and a Lax-Wendroff scheme second order in space and time to evolve the wave equations for the fields. The source function in the Lax-Wendroff scheme is specifically adapted to allow taking into account the simultaneous coupling of a laser field to the polarization and the magnetization of the medium. To reduce execution time, a customized data structure is implemented and explained. In three examples the features of the program are demonstrated and the treatment of a system with a phase-dependent cross coupling of the electric and magnetic field component of a laser field is shown. Program summaryProgram title: msprop Catalogue identifier: AEHR_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHR_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 507 625 No. of bytes in distributed program, including test data, etc.: 10 698 552 Distribution format: tar.gz Programming language: C (C99 standard), Mathematica, bash script, gnuplot script Computer: Tested on x86 architecture Operating system: Unix/Linux environment RAM: Less than 30 MB Classification: 2.5 External routines: Standard C math library, accompanying bash script uses gnuplot, bc (basic calculator), and convert (ImageMagick) Nature of problem: We consider a system of quantum optical few-level atoms exposed to several near-resonant continuous-wave or pulsed laser fields. The complexity of the problem arises from the combination of the coherent and incoherent time evolution of the atoms and its dependence on the spatially varying fields. In systems with a coupling to the electric and magnetic field component the simultaneous treatment of both field components poses an additional challenge. Studying the system dynamics requires solving the quantum optical master equation coupled to the wave equations governing the spatio-temporal dynamics of the fields [1,2]. Solution method: We numerically integrate the equations of motion using a second order Adams predictor method for the time evolution of the atomic density matrix and a second order Lax-Wendroff scheme for iterating the fields in space [3]. For the Lax-Wendroff scheme, the source function is adapted such that a simultaneous coupling to the polarization and the magnetization of the medium can be taken into account. Restrictions: The evolution of the fields is treated in slowly varying envelope approximation [2] such that variations of the fields in space and time must be on a scale larger than the wavelength and the optical cycle. Propagation is restricted to the forward direction and to one dimension. Concerning the description of the atomic system, only a finite number of basis states can be treated and the laser-driven transitions have to be near-resonant such that the rotating-wave approximation can be applied [2]. Unusual features: The program allows the dipole interaction of both the electric and the magnetic component of a laser field to be taken into account at the same time. Thus, a system with a phase-dependent cross coupling of electric and magnetic field component can be treated (see Section 4.2 and [4]). Concerning the implementation of the data structure, it has been optimized for faster memory access. Compared to using standard memory allocation methods, shorter run times are achieved (see Section 3.2). Additional comments: Three examples are given. They each include a readme file, a Mathematica notebook to generate the C-code form of the quantum optical master equation, a parameter file, a bash script which runs the program and converts the numerical data into a movie, two gnuplot scripts, and all files that are produced by running the bash script. Running time: For the first two examples the running time is less than a minute, the third example takes about 12 minutes. On a Pentium 4 (3 GHz) system, a rough estimate can be made with a value of 1 second per million grid points and per field variable.

Rupture Dynamics and Scaling Behavior of Hydraulically Stimulated Micro-Earthquakes in a Shale Reservoir

NASA Astrophysics Data System (ADS)

Viegas, G. F.; Urbancic, T.; Baig, A. M.

2014-12-01

In hydraulic fracturing completion programs fluids are injected under pressure into fractured rock formations to open escape pathways for trapped hydrocarbons along pre-existing and newly generated fractures. To characterize the failure process, we estimate static and dynamic source and rupture parameters, such as dynamic and static stress drop, radiated energy, seismic efficiency, failure modes, failure plane orientations and dimensions, and rupture velocity to investigate the rupture dynamics and scaling relations of micro-earthquakes induced during a hydraulic fracturing shale completion program in NE British Columbia, Canada. The relationships between the different parameters combined with the in-situ stress field and rock properties provide valuable information on the rupture process giving insights into the generation and development of the fracture network. Approximately 30,000 micro-earthquakes were recorded using three multi-sensor arrays of high frequency geophones temporarily placed close to the treatment area at reservoir depth (~2km). On average the events have low radiated energy, low dynamic stress and low seismic efficiency, consistent with the obtained slow rupture velocities. Events fail in overshoot mode (slip weakening failure model), with fluids lubricating faults and decreasing friction resistance. Events occurring in deeper formations tend to have faster rupture velocities and are more efficient in radiating energy. Variations in rupture velocity tend to correlate with variation in depth, fault azimuth and elapsed time, reflecting a dominance of the local stress field over other factors. Several regions with different characteristic failure modes are identifiable based on coherent stress drop, seismic efficiency, rupture velocities and fracture orientations. Variations of source parameters with rock rheology and hydro-fracture fluids are also observed. Our results suggest that the spatial and temporal distribution of events with similar characteristic rupture behaviors can be used to determine reservoir geophysical properties, constrain reservoir geo-mechanical models, classify dynamic rupture processes for fracture models and improve fracture treatment designs.

Structural optimization with approximate sensitivities

NASA Technical Reports Server (NTRS)

Patnaik, S. N.; Hopkins, D. A.; Coroneos, R.

1994-01-01

Computational efficiency in structural optimization can be enhanced if the intensive computations associated with the calculation of the sensitivities, that is, gradients of the behavior constraints, are reduced. Approximation to gradients of the behavior constraints that can be generated with small amount of numerical calculations is proposed. Structural optimization with these approximate sensitivities produced correct optimum solution. Approximate gradients performed well for different nonlinear programming methods, such as the sequence of unconstrained minimization technique, method of feasible directions, sequence of quadratic programming, and sequence of linear programming. Structural optimization with approximate gradients can reduce by one third the CPU time that would otherwise be required to solve the problem with explicit closed-form gradients. The proposed gradient approximation shows potential to reduce intensive computation that has been associated with traditional structural optimization.

Interpolation Method Needed for Numerical Uncertainty Analysis of Computational Fluid Dynamics

NASA Technical Reports Server (NTRS)

Groves, Curtis; Ilie, Marcel; Schallhorn, Paul

2014-01-01

Using Computational Fluid Dynamics (CFD) to predict a flow field is an approximation to the exact problem and uncertainties exist. There is a method to approximate the errors in CFD via Richardson's Extrapolation. This method is based off of progressive grid refinement. To estimate the errors in an unstructured grid, the analyst must interpolate between at least three grids. This paper describes a study to find an appropriate interpolation scheme that can be used in Richardson's extrapolation or other uncertainty method to approximate errors. Nomenclature

Economic evaluation of varicella vaccination in Spain: results from a dynamic model.

PubMed

Lenne, X; Diez Domingo, J; Gil, A; Ridao, M; Lluch, J A; Dervaux, B

2006-11-17

Varicella is a universal childhood disease in Spain, causing approximately 400,000 cases, 1,500 hospitalizations and 15 deaths every year. The aim of this study is to determine the economic impact of childhood varicella vaccination on the burden of disease and associated costs by using a dynamic model. The analysis is based on the varicella transmission model developed by Halloran and adapted to the Spanish context. Cost data (Euro, 2004) were derived from previous studies and official tariffs. Two vaccination scenarios were analysed: (1) routine vaccination program for children aged 1-2 years, and (2) routine vaccination program for children aged 1-2 years completed by a catch-up program during the first year of vaccine marketing for children aged 2-11 years. The analysis considers that a similar coverage rate to the MMR one would be achieved (97.15%). A societal perspective, including direct and indirect costs, and a health care payor perspective were adopted. A probabilistic sensitivity analysis was performed. A routine vaccination program has a positive impact on varicella-related morbidity: the number of varicella cases is estimated to be reduced by 89%, and 1230 hospitalizations are prevented. From the societal perspective, scenario (1) is cost-saving whether or not indirect costs are considered (-51 and -4%, respectively). From the Health Care System the strategy is cost-effective, with a cost-effectiveness ratio estimated at 3,982 Euro per life-year gained, although it leads to a small increase in the costs. Considering the impact of vaccination on morbidity and costs, a routine childhood vaccination program against varicella is worth while in Spain without taking into account the potential impact on HZ.

Generating functionals and Gaussian approximations for interruptible delay reactions

NASA Astrophysics Data System (ADS)

Brett, Tobias; Galla, Tobias

2015-10-01

We develop a generating functional description of the dynamics of non-Markovian individual-based systems in which delay reactions can be terminated before completion. This generalizes previous work in which a path-integral approach was applied to dynamics in which delay reactions complete with certainty. We construct a more widely applicable theory, and from it we derive Gaussian approximations of the dynamics, valid in the limit of large, but finite, population sizes. As an application of our theory we study predator-prey models with delay dynamics due to gestation or lag periods to reach the reproductive age. In particular, we focus on the effects of delay on noise-induced cycles.

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

Naoz, Smadar; Li, Gongjie; Zanardi, Macarena

The secular approximation of the hierarchical three body systems has been proven to be very useful in addressing many astrophysical systems, from planets to stars to black holes. In such a system, two objects are on a tight orbit and the tertiary is on a much wider orbit. Here, we study the dynamics of a system by taking the tertiary mass to zero and solve the hierarchical three body system up to the octupole level of approximation. We find a rich dynamics that the outer orbit undergoes due to gravitational perturbations from the inner binary. The nominal result of themore » precession of the nodes is mostly limited for the lowest order of approximation; however, when the octupole level of approximation is introduced, the system becomes chaotic, as expected, and the tertiary oscillates below and above 90°, similarly to the non-test particle flip behavior. We provide the Hamiltonian of the system and investigate the dynamics of the system from the quadrupole to the octupole level of approximations. We also analyze the chaotic and quasi-periodic orbital evolution by studying the surfaces of sections. Furthermore, including general relativity, we showcase the long-term evolution of individual debris disk particles under the influence of a far-away interior eccentric planet. We show that this dynamics can naturally result in retrograde objects and a puffy disk after a long timescale evolution (a few Gyr) for initially aligned configuration.« less

Exact Solution of Gas Dynamics Equations Through Reduced Differential Transform and Sumudu Transform Linked with Pades Approximants

NASA Astrophysics Data System (ADS)

Rao, T. R. Ramesh

2018-04-01

In this paper, we study the analytical method based on reduced differential transform method coupled with sumudu transform through Pades approximants. The proposed method may be considered as alternative approach for finding exact solution of Gas dynamics equation in an effective manner. This method does not require any discretization, linearization and perturbation.

Resolving the Ripples (and a Mine): High-Resolution Multibeam Survey of Martha's Vineyard ONR Mine Burial Program Field Area

NASA Astrophysics Data System (ADS)

Mayer, L. A.; Raymond, R.; Glang, G.; Huff, L.

2002-12-01

In an effort to better understand the coastal processes responsible for the burial and exposure of small objects on the seafloor, the Office of Naval Research is sponsoring the Mine Burial Program. Among the field areas chosen for this program is the site of the Martha's Vineyard Coastal Observatory (MVCO), a permanent instrumented node in 12 m of water about 500 m off the southern shore of Martha?s Vineyard. In support of the ONR program, several site surveys of the MVCO area have been conducted (see Goff et al); here we report the result of the most recent of these surveys, a very high-resolution multibeam survey aimed at establishing a detailed base map for the region and providing a baseline from which subsequent surveys can measure seafloor change In late July we conducted a five day survey of an approximately 3 x 5 km area surrounding the MVCO node using a Reson 8125 focused multibeam sonar aboard the SAIC survey vessel Ocean Explorer. The 8125 is a newly developed multibeam sonar that operates at 455 kHz and uses dynamic focusing to compensate for the curvature of the wavefront in the near-field. By using a relatively long array, the system can achieve very high spatial resolution (0.5 degree beam width) and with the dynamic focusing, can operate in the near field. The real constraint on resolution using this system is the ability to position the soundings and thus three kinematic DGPS base stations were established on Martha?s Vineyard and three kinematic receivers were used on the survey vessel. The kinematic GPS positioning is also critical to the ability to do repeat surveys with an accuracy high enough to resolve small (less than 10 cm) seafloor changes. Also to aid in our ability to accurately position repeat surveys, divers jetted sonar reflectors into the seafloor to act as fiducials. A super high-resolution (4 m overlap) survey was conducted in a small area surrounding the MVCO node and mine burial sites, a slightly lower resolution survey (12 to 25 m overlap) in a box approximately 1 x 1 km surrounding the ?target box? and a lower resolution survey (25 to 40 m line overlap) in a 3 x 5 km region surrounding the 1 x 1 km box. The Reson 8125 produced approximately 1 gigabyte of data per hour. The bathymetric resolution we were able to achieve was beyond our expectations. The node site and all diver-emplaced reflectors were clearly identified Most amazingly, we are able to resolve fields of individual ripples that are less than 2 cm height. Of particular relevance to the mine burial program was our ability to resolve an instrumented mine that had been deployed earlier by NRL. This mine is buried in a scour depression and is only a few centimeters proud above the base of the depression.

Dark-Bright Soliton Dynamics Beyond the Mean-Field Approximation

NASA Astrophysics Data System (ADS)

Katsimiga, Garyfallia; Koutentakis, Georgios; Mistakidis, Simeon; Kevrekidis, Panagiotis; Schmelcher, Peter; Theory Group of Fundamental Processes in Quantum Physics Team

2017-04-01

The dynamics of dark bright solitons beyond the mean-field approximation is investigated. We first examine the case of a single dark-bright soliton and its oscillations within a parabolic trap. Subsequently, we move to the setting of collisions, comparing the mean-field approximation to that involving multiple orbitals in both the dark and the bright component. Fragmentation is present and significantly affects the dynamics, especially in the case of slower solitons and in that of lower atom numbers. It is shown that the presence of fragmentation allows for bipartite entanglement between the distinguishable species. Most importantly the interplay between fragmentation and entanglement leads to the decay of each of the initial mean-field dark-bright solitons into fast and slow fragmented dark-bright structures. A variety of excitations including dark-bright solitons in multiple (concurrently populated) orbitals is observed. Dark-antidark states and domain-wall-bright soliton complexes can also be observed to arise spontaneously in the beyond mean-field dynamics. Deutsche Forschungsgemeinschaft (DFG) in the framework of the SFB 925 ``Light induced dynamics and control of correlated quantum systems''.

Bacterial Tethering Analysis Reveals a “Run-Reverse-Turn” Mechanism for Pseudomonas Species Motility

PubMed Central

Qian, Chen; Wong, Chui Ching; Swarup, Sanjay

2013-01-01

We have developed a program that can accurately analyze the dynamic properties of tethered bacterial cells. The program works especially well with cells that tend to give rise to unstable rotations, such as polar-flagellated bacteria. The program has two novel components. The first dynamically adjusts the center of the cell's rotational trajectories. The second applies piecewise linear approximation to the accumulated rotation curve to reduce noise and separate the motion of bacteria into phases. Thus, it can separate counterclockwise (CCW) and clockwise (CW) rotations distinctly and measure rotational speed accurately. Using this program, we analyzed the properties of tethered Pseudomonas aeruginosa and Pseudomonas putida cells for the first time. We found that the Pseudomonas flagellar motor spends equal time in both CCW and CW phases and that it rotates with the same speed in both phases. In addition, we discovered that the cell body can remain stationary for short periods of time, leading to the existence of a third phase of the flagellar motor which we call “pause.” In addition, P. aeruginosa cells adopt longer run lengths, fewer pause frequencies, and shorter pause durations as part of their chemotactic response. We propose that one purpose of the pause phase is to allow the cells to turn at a large angle, where we show that pause durations in free-swimming cells positively correlate with turn angle sizes. Taken together, our results suggest a new “run-reverse-turn” paradigm for polar-flagellated Pseudomonas motility that is different from the “run-and-tumble” paradigm established for peritrichous Escherichia coli. PMID:23728820

Local Approximation and Hierarchical Methods for Stochastic Optimization

NASA Astrophysics Data System (ADS)

Cheng, Bolong

In this thesis, we present local and hierarchical approximation methods for two classes of stochastic optimization problems: optimal learning and Markov decision processes. For the optimal learning problem class, we introduce a locally linear model with radial basis function for estimating the posterior mean of the unknown objective function. The method uses a compact representation of the function which avoids storing the entire history, as is typically required by nonparametric methods. We derive a knowledge gradient policy with the locally parametric model, which maximizes the expected value of information. We show the policy is asymptotically optimal in theory, and experimental works suggests that the method can reliably find the optimal solution on a range of test functions. For the Markov decision processes problem class, we are motivated by an application where we want to co-optimize a battery for multiple revenue, in particular energy arbitrage and frequency regulation. The nature of this problem requires the battery to make charging and discharging decisions at different time scales while accounting for the stochastic information such as load demand, electricity prices, and regulation signals. Computing the exact optimal policy becomes intractable due to the large state space and the number of time steps. We propose two methods to circumvent the computation bottleneck. First, we propose a nested MDP model that structure the co-optimization problem into smaller sub-problems with reduced state space. This new model allows us to understand how the battery behaves down to the two-second dynamics (that of the frequency regulation market). Second, we introduce a low-rank value function approximation for backward dynamic programming. This new method only requires computing the exact value function for a small subset of the state space and approximate the entire value function via low-rank matrix completion. We test these methods on historical price data from the PJM Interconnect and show that it outperforms the baseline approach used in the industry.

3-D inelastic analysis methods for hot section components (base program). [turbine blades, turbine vanes, and combustor liners

NASA Technical Reports Server (NTRS)

Wilson, R. B.; Bak, M. J.; Nakazawa, S.; Banerjee, P. K.

1984-01-01

A 3-D inelastic analysis methods program consists of a series of computer codes embodying a progression of mathematical models (mechanics of materials, special finite element, boundary element) for streamlined analysis of combustor liners, turbine blades, and turbine vanes. These models address the effects of high temperatures and thermal/mechanical loadings on the local (stress/strain) and global (dynamics, buckling) structural behavior of the three selected components. These models are used to solve 3-D inelastic problems using linear approximations in the sense that stresses/strains and temperatures in generic modeling regions are linear functions of the spatial coordinates, and solution increments for load, temperature and/or time are extrapolated linearly from previous information. Three linear formulation computer codes, referred to as MOMM (Mechanics of Materials Model), MHOST (MARC-Hot Section Technology), and BEST (Boundary Element Stress Technology), were developed and are described.

A quantum relaxation-time approximation for finite fermion systems

NASA Astrophysics Data System (ADS)

Reinhard, P.-G.; Suraud, E.

2015-03-01

We propose a relaxation time approximation for the description of the dynamics of strongly excited fermion systems. Our approach is based on time-dependent density functional theory at the level of the local density approximation. This mean-field picture is augmented by collisional correlations handled in relaxation time approximation which is inspired from the corresponding semi-classical picture. The method involves the estimate of microscopic relaxation rates/times which is presently taken from the well established semi-classical experience. The relaxation time approximation implies evaluation of the instantaneous equilibrium state towards which the dynamical state is progressively driven at the pace of the microscopic relaxation time. As test case, we consider Na clusters of various sizes excited either by a swift ion projectile or by a short and intense laser pulse, driven in various dynamical regimes ranging from linear to strongly non-linear reactions. We observe a strong effect of dissipation on sensitive observables such as net ionization and angular distributions of emitted electrons. The effect is especially large for moderate excitations where typical relaxation/dissipation time scales efficiently compete with ionization for dissipating the available excitation energy. Technical details on the actual procedure to implement a working recipe of such a quantum relaxation approximation are given in appendices for completeness.

Dynamic Interaction between Cap & Trade and Electricity Markets

NASA Astrophysics Data System (ADS)

Jeev, Kumar

Greenhouse Gases (GHG), such as Carbon-Dioxide (CO2), which is released in the atmosphere due to anthropogenic activities like power production, are now accepted as the main culprits for global warming. The Regional Greenhouse Gas Initiative (RGGI), an initiative of the North East and Mid-Atlantic States of the United States (US) for limiting the emission of GHG, has developed a regional cap-and-trade program for CO2 emissions for power plants. Existing cap-and-trade programs in US and Europe for Greenhouse Gases have recently been plagued by over-allocation. Carbon prices recently collapsed in all these markets during the global recession. Since then, there have been significant policy changes, which have resulted in the adoption of aggressive emission cap targets by most major carbon emission markets. This is expected to make carbon emissions availability more restrictive, raising the prices of these credits. These emissions markets are expected to have a major impact on the wholesale electricity markets. Two models to study the interaction of these two markets are presented. These models assess the impact of the emissions market on wholesale electricity prices. The first model characterizes the competition between two types of power plants (coal and gas) in both the electricity and emissions markets as a dynamic game using the Cournot approximation. Under this approximation, we find that in the Nash equilibrium the plants increase their permit allocation to high-demand periods and the marginal value of each credit for a plant is identical in all periods under their optimal equilibrium strategy. The second numerical model allows us to explicitly evaluate the closed loop equilibrium of the dynamic interaction of two competitors in these markets. We find that plants often try to corner the market and push prices all the way to the price cap. Power plants derive most of their profits from these extreme price regimes. In the experiments where trading is allowed, plants can collude to keep prices at the price cap. These problems can be averted by careful allocation of credits and strong regulation to deter market manipulation.

Boolean network identification from perturbation time series data combining dynamics abstraction and logic programming.

PubMed

Ostrowski, M; Paulevé, L; Schaub, T; Siegel, A; Guziolowski, C

2016-11-01

Boolean networks (and more general logic models) are useful frameworks to study signal transduction across multiple pathways. Logic models can be learned from a prior knowledge network structure and multiplex phosphoproteomics data. However, most efficient and scalable training methods focus on the comparison of two time-points and assume that the system has reached an early steady state. In this paper, we generalize such a learning procedure to take into account the time series traces of phosphoproteomics data in order to discriminate Boolean networks according to their transient dynamics. To that end, we identify a necessary condition that must be satisfied by the dynamics of a Boolean network to be consistent with a discretized time series trace. Based on this condition, we use Answer Set Programming to compute an over-approximation of the set of Boolean networks which fit best with experimental data and provide the corresponding encodings. Combined with model-checking approaches, we end up with a global learning algorithm. Our approach is able to learn logic models with a true positive rate higher than 78% in two case studies of mammalian signaling networks; for a larger case study, our method provides optimal answers after 7min of computation. We quantified the gain in our method predictions precision compared to learning approaches based on static data. Finally, as an application, our method proposes erroneous time-points in the time series data with respect to the optimal learned logic models. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics".

PubMed

Hele, Timothy J H; Willatt, Michael J; Muolo, Andrea; Althorpe, Stuart C

2015-04-07

We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or "classical Wigner approximation") results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their "Matsubara" values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ(2) at ħ(0) (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting "Matsubara" dynamics is inherently classical (since all terms O(ħ(2)) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods.

Photographic mark-recapture analysis of local dynamics within an open population of dolphins.

PubMed

Fearnbach, H; Durban, J; Parsons, K; Claridge, D

2012-07-01

Identifying demographic changes is important for understanding population dynamics. However, this requires long-term studies of definable populations of distinct individuals, which can be particularly challenging when studying mobile cetaceans in the marine environment. We collected photo-identification data from 19 years (1992-2010) to assess the dynamics of a population of bottlenose dolphins (Tursiops truncatus) restricted to the shallow (<7 m) waters of Little Bahama Bank, northern Bahamas. This population was known to range beyond our study area, so we adopted a Bayesian mixture modeling approach to mark-recapture to identify clusters of individuals that used the area to different extents, and we specifically estimated trends in survival, recruitment, and abundance of a "resident" population with high probabilities of identification. There was a high probability (p= 0.97) of a long-term decrease in the size of this resident population from a maximum of 47 dolphins (95% highest posterior density intervals, HPDI = 29-61) in 1996 to a minimum of just 24 dolphins (95% HPDI = 14-37) in 2009, a decline of 49% (95% HPDI = approximately 5% to approximately 75%). This was driven by low per capita recruitment (average approximately 0.02) that could not compensate for relatively low apparent survival rates (average approximately 0.94). Notably, there was a significant increase in apparent mortality (approximately 5 apparent mortalities vs. approximately 2 on average) in 1999 when two intense hurricanes passed over the study area, with a high probability (p = 0.83) of a drop below the average survival probability (approximately 0.91 in 1999; approximately 0.94, on average). As such, our mark-recapture approach enabled us to make useful inference about local dynamics within an open population of bottlenose dolphins; this should be applicable to other studies challenged by sampling highly mobile individuals with heterogeneous space use.

Dynamic simulation of concentrated macromolecular solutions with screened long-range hydrodynamic interactions: Algorithm and limitations

PubMed Central

Ando, Tadashi; Chow, Edmond; Skolnick, Jeffrey

2013-01-01

Hydrodynamic interactions exert a critical effect on the dynamics of macromolecules. As the concentration of macromolecules increases, by analogy to the behavior of semidilute polymer solutions or the flow in porous media, one might expect hydrodynamic screening to occur. Hydrodynamic screening would have implications both for the understanding of macromolecular dynamics as well as practical implications for the simulation of concentrated macromolecular solutions, e.g., in cells. Stokesian dynamics (SD) is one of the most accurate methods for simulating the motions of N particles suspended in a viscous fluid at low Reynolds number, in that it considers both far-field and near-field hydrodynamic interactions. This algorithm traditionally involves an O(N3) operation to compute Brownian forces at each time step, although asymptotically faster but more complex SD methods are now available. Motivated by the idea of hydrodynamic screening, the far-field part of the hydrodynamic matrix in SD may be approximated by a diagonal matrix, which is equivalent to assuming that long range hydrodynamic interactions are completely screened. This approximation allows sparse matrix methods to be used, which can reduce the apparent computational scaling to O(N). Previously there were several simulation studies using this approximation for monodisperse suspensions. Here, we employ newly designed preconditioned iterative methods for both the computation of Brownian forces and the solution of linear systems, and consider the validity of this approximation in polydisperse suspensions. We evaluate the accuracy of the diagonal approximation method using an intracellular-like suspension. The diffusivities of particles obtained with this approximation are close to those with the original method. However, this approximation underestimates intermolecular correlated motions, which is a trade-off between accuracy and computing efficiency. The new method makes it possible to perform large-scale and long-time simulation with an approximate accounting of hydrodynamic interactions. PMID:24089734

Neural networks for feedback feedforward nonlinear control systems.

PubMed

Parisini, T; Zoppoli, R

1994-01-01

This paper deals with the problem of designing feedback feedforward control strategies to drive the state of a dynamic system (in general, nonlinear) so as to track any desired trajectory joining the points of given compact sets, while minimizing a certain cost function (in general, nonquadratic). Due to the generality of the problem, conventional methods are difficult to apply. Thus, an approximate solution is sought by constraining control strategies to take on the structure of multilayer feedforward neural networks. After discussing the approximation properties of neural control strategies, a particular neural architecture is presented, which is based on what has been called the "linear-structure preserving principle". The original functional problem is then reduced to a nonlinear programming one, and backpropagation is applied to derive the optimal values of the synaptic weights. Recursive equations to compute the gradient components are presented, which generalize the classical adjoint system equations of N-stage optimal control theory. Simulation results related to nonlinear nonquadratic problems show the effectiveness of the proposed method.

Versatile and declarative dynamic programming using pair algebras.

PubMed

Steffen, Peter; Giegerich, Robert

2005-09-12

Dynamic programming is a widely used programming technique in bioinformatics. In sharp contrast to the simplicity of textbook examples, implementing a dynamic programming algorithm for a novel and non-trivial application is a tedious and error prone task. The algebraic dynamic programming approach seeks to alleviate this situation by clearly separating the dynamic programming recurrences and scoring schemes. Based on this programming style, we introduce a generic product operation of scoring schemes. This leads to a remarkable variety of applications, allowing us to achieve optimizations under multiple objective functions, alternative solutions and backtracing, holistic search space analysis, ambiguity checking, and more, without additional programming effort. We demonstrate the method on several applications for RNA secondary structure prediction. The product operation as introduced here adds a significant amount of flexibility to dynamic programming. It provides a versatile testbed for the development of new algorithmic ideas, which can immediately be put to practice.

Ballistic-diffusive approximation for the thermal dynamics of metallic nanoparticles in nanocomposite materials

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

Shirdel-Havar, A. H., E-mail: Amir.hushang.shirdel@gmail.com; Masoudian Saadabad, R.

2015-03-21

Based on ballistic-diffusive approximation, a method is presented to model heat transfer in nanocomposites containing metal nanoparticles. This method provides analytical expression for the temperature dynamics of metallic nanoparticles embedded in a dielectric medium. In this study, nanoparticles are considered as spherical shells, so that Boltzmann equation is solved using ballistic-diffusive approximation to calculate the electron and lattice thermal dynamics in gold nanoparticles, while thermal exchange between the particles is taken into account. The model was used to investigate the influence of particle size and metal concentration of the medium on the electron and lattice thermal dynamics. It is shownmore » that these two parameters are crucial in determining the nanocomposite thermal behavior. Our results showed that the heat transfer rate from nanoparticles to the matrix decreases as the nanoparticle size increases. On the other hand, increasing the metal concentration of the medium can also decrease the heat transfer rate.« less

Joseph Boussinesq et son approximation : un aperçu actuel

NASA Astrophysics Data System (ADS)

Zeytounian, Radyadour Kh.

2003-08-01

A hundred years ago, in his 1903 volume II of the monograph devoted to 'Théorie Analytique de la Chaleur', Joseph Valentin Boussinesq observes that: "The v ariations of density can be ignored except were they are multiplied by the acceleration of gravity in equation of motion for the vertical component of the velocity vector." A spectacular consequence of this Boussinesq observation (called, in 1916, by Rayleigh, the 'Boussinesq approximation') is the possibility to work with a quasi-incompressible system of coupled dynamic, (Navier) and thermal (Fourier) equations where buoyancy is the main driving force. After a few words on the life of Boussinesq and on his observation, the applicability of this approximation is briefly discussed for various thermal, geophysical, astrophysical and magnetohydrodynamic problems in the framework of 'Boussinesquian fluid dynamics'. An important part of our contemporary view is devoted to a logical (100 years later) justification of this Boussinesq approximation for a perfect gas and an ideal liquid in the framework of an asymptotic modelling of the full fluid dynamics (Euler and Navier-Stokes-Fourier) equations with especially careful attention given to the validity of this approximation. To cite this article: R.Kh. Zeytounian, C. R. Mecanique 331 (2003).

Description of waste pretreatment and interfacing systems dynamic simulation model

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

Garbrick, D.J.; Zimmerman, B.D.

1995-05-01

The Waste Pretreatment and Interfacing Systems Dynamic Simulation Model was created to investigate the required pretreatment facility processing rates for both high level and low level waste so that the vitrification of tank waste can be completed according to the milestones defined in the Tri-Party Agreement (TPA). In order to achieve this objective, the processes upstream and downstream of the pretreatment facilities must also be included. The simulation model starts with retrieval of tank waste and ends with vitrification for both low level and high level wastes. This report describes the results of three simulation cases: one based on suggestedmore » average facility processing rates, one with facility rates determined so that approximately 6 new DSTs are required, and one with facility rates determined so that approximately no new DSTs are required. It appears, based on the simulation results, that reasonable facility processing rates can be selected so that no new DSTs are required by the TWRS program. However, this conclusion must be viewed with respect to the modeling assumptions, described in detail in the report. Also included in the report, in an appendix, are results of two sensitivity cases: one with glass plant water recycle steams recycled versus not recycled, and one employing the TPA SST retrieval schedule versus a more uniform SST retrieval schedule. Both recycling and retrieval schedule appear to have a significant impact on overall tank usage.« less

Adaption of a corrector module to the IMP dynamics program

NASA Technical Reports Server (NTRS)

1972-01-01

The corrector module of the RAEIOS program and the IMP dynamics computer program were combined to achieve a date-fitting capability with the more general spacecraft dynamics models of the IMP program. The IMP dynamics program presents models of spacecraft dynamics for satellites with long, flexible booms. The properties of the corrector are discussed and a description is presented of the performance criteria and search logic for parameter estimation. A description is also given of the modifications made to add the corrector to the IMP program. This includes subroutine descriptions, common definitions, definition of input, and a description of output.

Optimal approximation of harmonic growth clusters by orthogonal polynomials

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

Teodorescu, Razvan

2008-01-01

Interface dynamics in two-dimensional systems with a maximal number of conservation laws gives an accurate theoreticaI model for many physical processes, from the hydrodynamics of immiscible, viscous flows (zero surface-tension limit of Hele-Shaw flows), to the granular dynamics of hard spheres, and even diffusion-limited aggregation. Although a complete solution for the continuum case exists, efficient approximations of the boundary evolution are very useful due to their practical applications. In this article, the approximation scheme based on orthogonal polynomials with a deformed Gaussian kernel is discussed, as well as relations to potential theory.

Large-scale hydropower system optimization using dynamic programming and object-oriented programming: the case of the Northeast China Power Grid.

PubMed

Li, Ji-Qing; Zhang, Yu-Shan; Ji, Chang-Ming; Wang, Ai-Jing; Lund, Jay R

2013-01-01

This paper examines long-term optimal operation using dynamic programming for a large hydropower system of 10 reservoirs in Northeast China. Besides considering flow and hydraulic head, the optimization explicitly includes time-varying electricity market prices to maximize benefit. Two techniques are used to reduce the 'curse of dimensionality' of dynamic programming with many reservoirs. Discrete differential dynamic programming (DDDP) reduces the search space and computer memory needed. Object-oriented programming (OOP) and the ability to dynamically allocate and release memory with the C++ language greatly reduces the cumulative effect of computer memory for solving multi-dimensional dynamic programming models. The case study shows that the model can reduce the 'curse of dimensionality' and achieve satisfactory results.

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

Rossi, Mariana; Manolopoulos, David E.; Ceriotti, Michele

Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD). Despite their conceptual differences, practical implementations of these methods differ in just two respects: the choice of the Parrinello-Rahman mass matrix and whether or not a thermostat is applied to the internal modes of the ring polymer during the dynamics. Here, we explore a method which is halfway between the two approximations: we keep the path integral bead masses equal to the physical particle masses but attach a Langevin thermostatmore » to the internal modes of the ring polymer during the dynamics. We justify this by showing analytically that the inclusion of an internal mode thermostat does not affect any of the established features of RPMD: thermostatted RPMD is equally valid with respect to everything that has actually been proven about the method as RPMD itself. In particular, because of the choice of bead masses, the resulting method is still optimum in the short-time limit, and the transition state approximation to its reaction rate theory remains closely related to the semiclassical instanton approximation in the deep quantum tunneling regime. In effect, there is a continuous family of methods with these properties, parameterised by the strength of the Langevin friction. Here, we explore numerically how the approximation to quantum dynamics depends on this friction, with a particular emphasis on vibrational spectroscopy. We find that a broad range of frictions approaching optimal damping give similar results, and that these results are immune to both the resonance problem of RPMD and the curvature problem of CMD.« less

ACCESS 1: Approximation Concepts Code for Efficient Structural Synthesis program documentation and user's guide

NASA Technical Reports Server (NTRS)

Miura, H.; Schmit, L. A., Jr.

1976-01-01

The program documentation and user's guide for the ACCESS-1 computer program is presented. ACCESS-1 is a research oriented program which implements a collection of approximation concepts to achieve excellent efficiency in structural synthesis. The finite element method is used for structural analysis and general mathematical programming algorithms are applied in the design optimization procedure. Implementation of the computer program, preparation of input data and basic program structure are described, and three illustrative examples are given.

Fully Dynamic Bin Packing

NASA Astrophysics Data System (ADS)

Ivković, Zoran; Lloyd, Errol L.

Classic bin packing seeks to pack a given set of items of possibly varying sizes into a minimum number of identical sized bins. A number of approximation algorithms have been proposed for this NP-hard problem for both the on-line and off-line cases. In this chapter we discuss fully dynamic bin packing, where items may arrive (Insert) and depart (Delete) dynamically. In accordance with standard practice for fully dynamic algorithms, it is assumed that the packing may be arbitrarily rearranged to accommodate arriving and departing items. The goal is to maintain an approximately optimal solution of provably high quality in a total amount of time comparable to that used by an off-line algorithm delivering a solution of the same quality.

Synthesis of recurrent neural networks for dynamical system simulation.

PubMed

Trischler, Adam P; D'Eleuterio, Gabriele M T

2016-08-01

We review several of the most widely used techniques for training recurrent neural networks to approximate dynamical systems, then describe a novel algorithm for this task. The algorithm is based on an earlier theoretical result that guarantees the quality of the network approximation. We show that a feedforward neural network can be trained on the vector-field representation of a given dynamical system using backpropagation, then recast it as a recurrent network that replicates the original system's dynamics. After detailing this algorithm and its relation to earlier approaches, we present numerical examples that demonstrate its capabilities. One of the distinguishing features of our approach is that both the original dynamical systems and the recurrent networks that simulate them operate in continuous time. Copyright © 2016 Elsevier Ltd. All rights reserved.

Study of multiband disordered systems using the typical medium dynamical cluster approximation

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

Zhang, Yi; Terletska, Hanna; Moore, C.

We generalize the typical medium dynamical cluster approximation to multiband disordered systems. Using our extended formalism, we perform a systematic study of the nonlocal correlation effects induced by disorder on the density of states and the mobility edge of the three-dimensional two-band Anderson model. We include interband and intraband hopping and an intraband disorder potential. Our results are consistent with those obtained by the transfer matrix and the kernel polynomial methods. We also apply the method to K xFe 2-ySe 2 with Fe vacancies. Despite the strong vacancy disorder and anisotropy, we find the material is not an Anderson insulator.more » Moreover our results demonstrate the application of the typical medium dynamical cluster approximation method to study Anderson localization in real materials.« less

Study of multiband disordered systems using the typical medium dynamical cluster approximation

DOE PAGES

Zhang, Yi; Terletska, Hanna; Moore, C.; ...

2015-11-06

We generalize the typical medium dynamical cluster approximation to multiband disordered systems. Using our extended formalism, we perform a systematic study of the nonlocal correlation effects induced by disorder on the density of states and the mobility edge of the three-dimensional two-band Anderson model. We include interband and intraband hopping and an intraband disorder potential. Our results are consistent with those obtained by the transfer matrix and the kernel polynomial methods. We also apply the method to K xFe 2-ySe 2 with Fe vacancies. Despite the strong vacancy disorder and anisotropy, we find the material is not an Anderson insulator.more » Moreover our results demonstrate the application of the typical medium dynamical cluster approximation method to study Anderson localization in real materials.« less

Vespertilionid bats control the width of their biosonar sound beam dynamically during prey pursuit

PubMed Central

Jakobsen, Lasse; Surlykke, Annemarie

2010-01-01

Animals using sound for communication emit directional signals, focusing most acoustic energy in one direction. Echolocating bats are listening for soft echoes from insects. Therefore, a directional biosonar sound beam greatly increases detection probability in the forward direction and decreases off-axis echoes. However, high directionality has context-specific disadvantages: at close range the detection space will be vastly reduced, making a broad beam favorable. Hence, a flexible system would be very advantageous. We investigated whether bats can dynamically change directionality of their biosonar during aerial pursuit of insects. We trained five Myotis daubentonii and one Eptesicus serotinus to capture tethered mealworms and recorded their echolocation signals with a multimicrophone array. The results show that the bats broaden the echolocation beam drastically in the terminal phase of prey pursuit. M. daubentonii increased the half-amplitude angle from approximately 40° to approximately 90° horizontally and from approximately 45° to more than 90° vertically. The increase in beam width is achieved by lowering the frequency by roughly one octave from approximately 55 kHz to approximately 27.5 kHz. The E. serotinus showed beam broadening remarkably similar to that of M. daubentonii. Our results demonstrate dynamic control of beam width in both species. Hence, we propose directionality as an explanation for the frequency decrease observed in the buzz of aerial hawking vespertilionid bats. We predict that future studies will reveal dynamic control of beam width in a broad range of acoustically communicating animals. PMID:20643943

Vespertilionid bats control the width of their biosonar sound beam dynamically during prey pursuit.

PubMed

Jakobsen, Lasse; Surlykke, Annemarie

2010-08-03

Animals using sound for communication emit directional signals, focusing most acoustic energy in one direction. Echolocating bats are listening for soft echoes from insects. Therefore, a directional biosonar sound beam greatly increases detection probability in the forward direction and decreases off-axis echoes. However, high directionality has context-specific disadvantages: at close range the detection space will be vastly reduced, making a broad beam favorable. Hence, a flexible system would be very advantageous. We investigated whether bats can dynamically change directionality of their biosonar during aerial pursuit of insects. We trained five Myotis daubentonii and one Eptesicus serotinus to capture tethered mealworms and recorded their echolocation signals with a multimicrophone array. The results show that the bats broaden the echolocation beam drastically in the terminal phase of prey pursuit. M. daubentonii increased the half-amplitude angle from approximately 40 degrees to approximately 90 degrees horizontally and from approximately 45 degrees to more than 90 degrees vertically. The increase in beam width is achieved by lowering the frequency by roughly one octave from approximately 55 kHz to approximately 27.5 kHz. The E. serotinus showed beam broadening remarkably similar to that of M. daubentonii. Our results demonstrate dynamic control of beam width in both species. Hence, we propose directionality as an explanation for the frequency decrease observed in the buzz of aerial hawking vespertilionid bats. We predict that future studies will reveal dynamic control of beam width in a broad range of acoustically communicating animals.

Phonon dispersion on Ag (100) surface: A modified analytic embedded atom method study

NASA Astrophysics Data System (ADS)

Xiao-Jun, Zhang; Chang-Le, Chen

2016-01-01

Within the harmonic approximation, the analytic expression of the dynamical matrix is derived based on the modified analytic embedded atom method (MAEAM) and the dynamics theory of surface lattice. The surface phonon dispersions along three major symmetry directions , and X¯M¯ are calculated for the clean Ag (100) surface by using our derived formulas. We then discuss the polarization and localization of surface modes at points X¯ and M¯ by plotting the squared polarization vectors as a function of the layer index. The phonon frequencies of the surface modes calculated by MAEAM are compared with the available experimental and other theoretical data. It is found that the present results are generally in agreement with the referenced experimental or theoretical results, with a maximum deviation of 10.4%. The agreement shows that the modified analytic embedded atom method is a reasonable many-body potential model to quickly describe the surface lattice vibration. It also lays a significant foundation for studying the surface lattice vibration in other metals. Project supported by the National Natural Science Foundation of China (Grant Nos. 61471301 and 61078057), the Scientific Research Program Funded by Shaanxi Provincial Education Department, China (Grant No. 14JK1301), and the Specialized Research Fund for the Doctoral Program of Higher Education, China (Grant No. 20126102110045).

Validation of a robotic balance system for investigations in the control of human standing balance.

PubMed

Luu, Billy L; Huryn, Thomas P; Van der Loos, H F Machiel; Croft, Elizabeth A; Blouin, Jean-Sébastien

2011-08-01

Previous studies have shown that human body sway during standing approximates the mechanics of an inverted pendulum pivoted at the ankle joints. In this study, a robotic balance system incorporating a Stewart platform base was developed to provide a new technique to investigate the neural mechanisms involved in standing balance. The robotic system, programmed with the mechanics of an inverted pendulum, controlled the motion of the body in response to a change in applied ankle torque. The ability of the robotic system to replicate the load properties of standing was validated by comparing the load stiffness generated when subjects balanced their own body to the robot's mechanical load programmed with a low (concentrated-mass model) or high (distributed-mass model) inertia. The results show that static load stiffness was not significantly (p > 0.05) different for standing and the robotic system. Dynamic load stiffness for the robotic system increased with the frequency of sway, as predicted by the mechanics of an inverted pendulum, with the higher inertia being accurately matched to the load properties of the human body. This robotic balance system accurately replicated the physical model of standing and represents a useful tool to simulate the dynamics of a standing person. © 2011 IEEE

Adaptive Modulation for DFIG and STATCOM With High-Voltage Direct Current Transmission.

PubMed

Tang, Yufei; He, Haibo; Ni, Zhen; Wen, Jinyu; Huang, Tingwen

2016-08-01

This paper develops an adaptive modulation approach for power system control based on the approximate/adaptive dynamic programming method, namely, the goal representation heuristic dynamic programming (GrHDP). In particular, we focus on the fault recovery problem of a doubly fed induction generator (DFIG)-based wind farm and a static synchronous compensator (STATCOM) with high-voltage direct current (HVDC) transmission. In this design, the online GrHDP-based controller provides three adaptive supplementary control signals to the DFIG controller, STATCOM controller, and HVDC rectifier controller, respectively. The mechanism is to observe the system states and their derivatives and then provides supplementary control to the plant according to the utility function. With the GrHDP design, the controller can adaptively develop an internal goal representation signal according to the observed power system states, therefore, to achieve more effective learning and modulating. Our control approach is validated on a wind power integrated benchmark system with two areas connected by HVDC transmission lines. Compared with the classical direct HDP and proportional integral control, our GrHDP approach demonstrates the improved transient stability under system faults. Moreover, experiments under different system operating conditions with signal transmission delays are also carried out to further verify the effectiveness and robustness of the proposed approach.

Online learning control using adaptive critic designs with sparse kernel machines.

PubMed

Xu, Xin; Hou, Zhongsheng; Lian, Chuanqiang; He, Haibo

2013-05-01

In the past decade, adaptive critic designs (ACDs), including heuristic dynamic programming (HDP), dual heuristic programming (DHP), and their action-dependent ones, have been widely studied to realize online learning control of dynamical systems. However, because neural networks with manually designed features are commonly used to deal with continuous state and action spaces, the generalization capability and learning efficiency of previous ACDs still need to be improved. In this paper, a novel framework of ACDs with sparse kernel machines is presented by integrating kernel methods into the critic of ACDs. To improve the generalization capability as well as the computational efficiency of kernel machines, a sparsification method based on the approximately linear dependence analysis is used. Using the sparse kernel machines, two kernel-based ACD algorithms, that is, kernel HDP (KHDP) and kernel DHP (KDHP), are proposed and their performance is analyzed both theoretically and empirically. Because of the representation learning and generalization capability of sparse kernel machines, KHDP and KDHP can obtain much better performance than previous HDP and DHP with manually designed neural networks. Simulation and experimental results of two nonlinear control problems, that is, a continuous-action inverted pendulum problem and a ball and plate control problem, demonstrate the effectiveness of the proposed kernel ACD methods.

Migrant Education Binational Program.

ERIC Educational Resources Information Center

Dolson, David P.; Villasenor, Gildardo

The Binational Program promotes the continuity of education for approximately 45,000 students who migrate between Mexico and the United States each year, a pattern related to their parents' work as migrant agricultural laborers. Begun in California, the program now encompasses approximately 10 U.S. and 32 Mexican states (including the Federal…

Standard representation and unified stability analysis for dynamic artificial neural network models.

PubMed

Kim, Kwang-Ki K; Patrón, Ernesto Ríos; Braatz, Richard D

2018-02-01

An overview is provided of dynamic artificial neural network models (DANNs) for nonlinear dynamical system identification and control problems, and convex stability conditions are proposed that are less conservative than past results. The three most popular classes of dynamic artificial neural network models are described, with their mathematical representations and architectures followed by transformations based on their block diagrams that are convenient for stability and performance analyses. Classes of nonlinear dynamical systems that are universally approximated by such models are characterized, which include rigorous upper bounds on the approximation errors. A unified framework and linear matrix inequality-based stability conditions are described for different classes of dynamic artificial neural network models that take additional information into account such as local slope restrictions and whether the nonlinearities within the DANNs are odd. A theoretical example shows reduced conservatism obtained by the conditions. Copyright © 2017. Published by Elsevier Ltd.

Zero-sum two-player game theoretic formulation of affine nonlinear discrete-time systems using neural networks.

PubMed

Mehraeen, Shahab; Dierks, Travis; Jagannathan, S; Crow, Mariesa L

2013-12-01

In this paper, the nearly optimal solution for discrete-time (DT) affine nonlinear control systems in the presence of partially unknown internal system dynamics and disturbances is considered. The approach is based on successive approximate solution of the Hamilton-Jacobi-Isaacs (HJI) equation, which appears in optimal control. Successive approximation approach for updating control and disturbance inputs for DT nonlinear affine systems are proposed. Moreover, sufficient conditions for the convergence of the approximate HJI solution to the saddle point are derived, and an iterative approach to approximate the HJI equation using a neural network (NN) is presented. Then, the requirement of full knowledge of the internal dynamics of the nonlinear DT system is relaxed by using a second NN online approximator. The result is a closed-loop optimal NN controller via offline learning. A numerical example is provided illustrating the effectiveness of the approach.

Onsets of hierarchy truncation and self–consistent Born approximation with quantum mechanics prescriptions invariance

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

Zhang, Hou-Dao; Yan, YiJing, E-mail: yyan@ust.hk; iChEM and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026

2015-12-07

The issue of efficient hierarchy truncation is related to many approximate theories. In this paper, we revisit this issue from both the numerical efficiency and quantum mechanics prescription invariance aspects. The latter requires that the truncation approximation made in Schrödinger picture, such as the quantum master equations and their self–consistent–Born–approximation improvements, should be transferable to their Heisenberg–picture correspondences, without further approximations. We address this issue with the dissipaton equation of motion (DEOM), which is a unique theory for the dynamics of not only reduced systems but also hybrid bath environments. We also highlight the DEOM theory is not only aboutmore » how its dynamical variables evolve in time, but also the underlying dissipaton algebra. We demonstrate this unique feature of DEOM with model systems and report some intriguing nonlinear Fano interferences characteristics that are experimentally measurable.« less

Counter-rotating effects and entanglement dynamics in strongly coupled quantum-emitter-metallic-nanoparticle structures

NASA Astrophysics Data System (ADS)

Iliopoulos, Nikos; Thanopulos, Ioannis; Yannopapas, Vassilios; Paspalakis, Emmanuel

2018-03-01

We study the spontaneous emission of a two-level quantum emitter next to a plasmonic nanoparticle beyond the Markovian approximation and the rotating-wave approximation (RWA) by combining quantum dynamics and classical electromagnetic calculations. For emitters with decay times in the picosecond to nanosecond time regime, as well as located at distances from the nanoparticle up to its radius, the dynamics with and without the RWA and the transition from the non-Markovian to the Markovian regime are investigated. For emitters with longer decay times, the Markov approximation proves to be adequate for distances larger than half the nanoparticle radius. However, the RWA is correct for all distances of the emitter from the nanoparticle. For short decay time emitters, the Markov approximation and RWA are both inadequate, with only the RWA becoming valid again at a distance larger than half the nanoparticle radius. We also show that the entanglement dynamics of two initially entangled qubits interacting independently with the nanoparticle may have a strong non-Markovian character when counter-rotating effects are included. Interesting effects such as entanglement sudden death, periodic entanglement revival, entanglement oscillations, and entanglement trapping are further observed when different initial two-qubit states and different distances between the qubit and the nanoparticle are considered.

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

PubMed

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

2018-03-14

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

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Modeling best practices in chronic disease management: the Arthritis Program at Southlake Regional Health Centre.

PubMed

Bain, Lorna; Mierdel, Sandra; Thorne, Carter

2012-01-01

Researchers, hospital administrators and governments are striving to define competencies in interprofessional care and education, as well as to identify effective models in chronic disease management. For more than 25 years The Arthritis Program (TAP) at Southlake Regional Health Centre in Newmarket, Ontario, has actively practiced within these two interrelated priorities, which are now at the top of the healthcare agenda in Ontario and Canada. The approximately 135 different rheumatic conditions are the primary cause of long-term disability in Canada, affecting those from youth to the senior years, with an economic burden estimated at $4.4 billion (CAD$) annually, and growing. For the benefit of healthcare managers and their clients with chronic conditions, this article discusses TAP's history and demonstrable success, predicated on an educational model of patient self-management and self-efficacy. Also outlined are TAP's contributions in supporting evidence-based best practices in interprofessional collaboration and chronic disease management; approaches that are arguably understudied and under-practiced. Next steps for TAP include a larger role in empirical research in chronic-disease management and integration of a formal training program to benefit health professionals launching or expanding their interprofessional programs using TAP as the dynamic clinical example.

The exact eigenfunctions and eigenvalues of a two-dimensional rigid rotor obtained using Gaussian wave packet dynamics

NASA Technical Reports Server (NTRS)

Reimers, J. R.; Heller, E. J.

1985-01-01

Exact eigenfunctions for a two-dimensional rigid rotor are obtained using Gaussian wave packet dynamics. The wave functions are obtained by propagating, without approximation, an infinite set of Gaussian wave packets that collectively have the correct periodicity, being coherent states appropriate to this rotational problem. This result leads to a numerical method for the semiclassical calculation of rovibrational, molecular eigenstates. Also, a simple, almost classical, approximation to full wave packet dynamics is shown to give exact results: this leads to an a posteriori justification of the De Leon-Heller spectral quantization method.

CosmoTransitions: Computing cosmological phase transition temperatures and bubble profiles with multiple fields

NASA Astrophysics Data System (ADS)

Wainwright, Carroll L.

2012-09-01

I present a numerical package (CosmoTransitions) for analyzing finite-temperature cosmological phase transitions driven by single or multiple scalar fields. The package analyzes the different vacua of a theory to determine their critical temperatures (where the vacuum energy levels are degenerate), their supercooling temperatures, and the bubble wall profiles which separate the phases and describe their tunneling dynamics. I introduce a new method of path deformation to find the profiles of both thin- and thick-walled bubbles. CosmoTransitions is freely available for public use.Program summaryProgram Title: CosmoTransitionsCatalogue identifier: AEML_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEML_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 8775No. of bytes in distributed program, including test data, etc.: 621096Distribution format: tar.gzProgramming language: Python.Computer: Developed on a 2009 MacBook Pro. No computer-specific optimization was performed.Operating system: Designed and tested on Mac OS X 10.6.8. Compatible with any OS with Python installed.RAM: Approximately 50 MB, mostly for loading plotting packages.Classification: 1.9, 11.1.External routines: SciPy, NumPy, matplotLibNature of problem: I describe a program to analyze early-Universe finite-temperature phase transitions with multiple scalar fields. The goal is to analyze the phase structure of an input theory, determine the amount of supercooling at each phase transition, and find the bubble-wall profiles of the nucleated bubbles that drive the transitions.Solution method: To find the bubble-wall profile, the program assumes that tunneling happens along a fixed path in field space. This reduces the equations of motion to one dimension, which can then be solved using the overshoot/undershoot method. The path iteratively deforms in the direction opposite the forces perpendicular to the path until the perpendicular forces vanish (or become very small). To find the phase structure, the program finds and integrates the change in a phase's minimum with respect to temperature.Running time: Approximately 1 minute for full analysis of the two-scalar-field test model on a 2.5 GHz CPU.

ISAC - A tool for aeroservoelastic modeling and analysis. [Interaction of Structures, Aerodynamics, and Control

NASA Technical Reports Server (NTRS)

Adams, William M., Jr.; Hoadley, Sherwood T.

1993-01-01

This paper discusses the capabilities of the Interaction of Structures, Aerodynamics, and Controls (ISAC) system of program modules. The major modeling, analysis, and data management components of ISAC are identified. Equations of motion are displayed for a Laplace-domain representation of the unsteady aerodynamic forces. Options for approximating a frequency-domain representation of unsteady aerodynamic forces with rational functions of the Laplace variable are shown. Linear time invariant state-space equations of motion that result are discussed. Model generation and analyses of stability and dynamic response characteristics are shown for an aeroelastic vehicle which illustrate some of the capabilities of ISAC as a modeling and analysis tool for aeroelastic applications.

Generalization of the subsonic kernel function in the s-plane, with applications to flutter analysis

NASA Technical Reports Server (NTRS)

Cunningham, H. J.; Desmarais, R. N.

1984-01-01

A generalized subsonic unsteady aerodynamic kernel function, valid for both growing and decaying oscillatory motions, is developed and applied in a modified flutter analysis computer program to solve the boundaries of constant damping ratio as well as the flutter boundary. Rates of change of damping ratios with respect to dynamic pressure near flutter are substantially lower from the generalized-kernel-function calculations than from the conventional velocity-damping (V-g) calculation. A rational function approximation for aerodynamic forces used in control theory for s-plane analysis gave rather good agreement with kernel-function results, except for strongly damped motion at combinations of high (subsonic) Mach number and reduced frequency.

Applications of computer-graphics animation for motion-perception research

NASA Technical Reports Server (NTRS)

Proffitt, D. R.; Kaiser, M. K.

1986-01-01

The advantages and limitations of using computer animated stimuli in studying motion perception are presented and discussed. Most current programs of motion perception research could not be pursued without the use of computer graphics animation. Computer generated displays afford latitudes of freedom and control that are almost impossible to attain through conventional methods. There are, however, limitations to this presentational medium. At present, computer generated displays present simplified approximations of the dynamics in natural events. Very little is known about how the differences between natural events and computer simulations influence perceptual processing. In practice, the differences are assumed to be irrelevant to the questions under study, and that findings with computer generated stimuli will generalize to natural events.

Coarse-grained simulations of cis- and trans-polybutadiene: A bottom-up approach

NASA Astrophysics Data System (ADS)

Lemarchand, Claire A.; Couty, Marc; Rousseau, Bernard

2017-02-01

We apply the dissipative particle dynamics strategy proposed by Hijón et al. [Faraday Discuss. 144, 301-322 (2010)] and based on an exact derivation of the generalized Langevin equation to cis- and trans-1,4-polybutadiene. We prove that it is able to reproduce not only the structural but also the dynamical properties of these polymers without any fitting parameter. A systematic study of the effect of the level of coarse-graining is done on cis-1,4-polybutadiene. We show that as the level of coarse-graining increases, the dynamical properties are better and better reproduced while the structural properties deviate more and more from those calculated in molecular dynamics (MD) simulations. We suggest two reasons for this behavior: the Markovian approximation is better satisfied as the level of coarse-graining increases, while the pair-wise approximation neglects important contributions due to the relative orientation of the beads at large levels of coarse-graining. Finally, we highlight a possible limit of the Markovian approximation: the fact that in constrained simulations, in which the centers-of-mass of the beads are kept constant, the bead rotational dynamics become extremely slow.

Comparison of some optimal control methods for the design of turbine blades

NASA Technical Reports Server (NTRS)

Desilva, B. M. E.; Grant, G. N. C.

1977-01-01

This paper attempts a comparative study of some numerical methods for the optimal control design of turbine blades whose vibration characteristics are approximated by Timoshenko beam idealizations with shear and incorporating simple boundary conditions. The blade was synthesized using the following methods: (1) conjugate gradient minimization of the system Hamiltonian in function space incorporating penalty function transformations, (2) projection operator methods in a function space which includes the frequencies of vibration and the control function, (3) epsilon-technique penalty function transformation resulting in a highly nonlinear programming problem, (4) finite difference discretization of the state equations again resulting in a nonlinear program, (5) second variation methods with complex state differential equations to include damping effects resulting in systems of inhomogeneous matrix Riccatti equations some of which are stiff, (6) quasi-linear methods based on iterative linearization of the state and adjoint equation. The paper includes a discussion of some substantial computational difficulties encountered in the implementation of these techniques together with a resume of work presently in progress using a differential dynamic programming approach.

Results of post-test psychological examinations of the crewmen from the 90-day manned test of an advanced regenerative life support system

NASA Technical Reports Server (NTRS)

Seeman, J. S.; Macfarlane, T. G.

1972-01-01

The following material presents the results of two temporally remote administrations of an identical projective personality assessment device (Rorschach Inkblot) using crew members aboard the 90-day test. The first administration took place during preselection crew psychodiagnostic testing in the period extending from mid-December 1969 through mid-January 1970. Second administration took place in late May and early June, 1971, approximately one year after termination of the test. During the 90-day program duration, the subjects participated in the crew training program, were selected and served as onboard crew during the 90-day test. The testing was undertaken in order to determine the character and extent of change (if any) in basic personality dynamics accompanying or caused by participation in the 90-day test program. Results indicate that significant personality changes occurred in three of the four onboard crew members. A detailed discussion of the results is provided. Objective scores which served as the basis for the discussion are presented in the Appendix.

The NATA code: Theory and analysis, volume 1. [user manuals (computer programming) - gas dynamics, wind tunnels

NASA Technical Reports Server (NTRS)

Bade, W. L.; Yos, J. M.

1975-01-01

A computer program for calculating quasi-one-dimensional gas flow in axisymmetric and two-dimensional nozzles and rectangular channels is presented. Flow is assumed to start from a state of thermochemical equilibrium at a high temperature in an upstream reservoir. The program provides solutions based on frozen chemistry, chemical equilibrium, and nonequilibrium flow with finite reaction rates. Electronic nonequilibrium effects can be included using a two-temperature model. An approximate laminar boundary layer calculation is given for the shear and heat flux on the nozzle wall. Boundary layer displacement effects on the inviscid flow are considered also. Chemical equilibrium and transport property calculations are provided by subroutines. The code contains precoded thermochemical, chemical kinetic, and transport cross section data for high-temperature air, CO2-N2-Ar mixtures, helium, and argon. It provides calculations of the stagnation conditions on axisymmetric or two-dimensional models, and of the conditions on the flat surface of a blunt wedge. The primary purpose of the code is to describe the flow conditions and test conditions in electric arc heated wind tunnels.

Heavy hydrocarbon main injector technology

NASA Technical Reports Server (NTRS)

Fisher, S. C.; Arbit, H. A.

1988-01-01

One of the key components of the Advanced Launch System (ALS) is a large liquid rocket, booster engine. To keep the overall vehicle size and cost down, this engine will probably use liquid oxygen (LOX) and a heavy hydrocarbon, such as RP-1, as propellants and operate at relatively high chamber pressures to increase overall performance. A technology program (Heavy Hydrocarbon Main Injector Technology) is being studied. The main objective of this effort is to develop a logic plan and supporting experimental data base to reduce the risk of developing a large scale (approximately 750,000 lb thrust), high performance main injector system. The overall approach and program plan, from initial analyses to large scale, two dimensional combustor design and test, and the current status of the program are discussed. Progress includes performance and stability analyses, cold flow tests of injector model, design and fabrication of subscale injectors and calorimeter combustors for performance, heat transfer, and dynamic stability tests, and preparation of hot fire test plans. Related, current, high pressure, LOX/RP-1 injector technology efforts are also briefly discussed.

Preliminary analysis of long-range aircraft designs for future heavy airlift missions

NASA Technical Reports Server (NTRS)

Nelms, W. P., Jr.; Murphy, R.; Barlow, A.

1976-01-01

A computerized design study of very large cargo aircraft for the future heavy airlift mission was conducted using the Aircraft Synthesis program (ACSYNT). The study was requested by the Air Force under an agreement whereby Ames provides computerized design support to the Air Force Flight Dynamics Laboratory. This effort is part of an overall Air Force program to study advanced technology large aircraft systems. Included in the Air Force large aircraft program are investigations of missions such as heavy airlift, airborne missile launch, battle platform, command and control, and aerial tanker. The Ames studies concentrated on large cargo aircraft of conventional design with payloads from 250,000 to 350,000 lb. Range missions up to 6500 n.mi. and radius missions up to 3600 n.mi. have been considered. Takeoff and landing distances between 7,000 and 10,000 ft are important constraints on the configuration concepts. The results indicate that a configuration employing conventional technology in all disciplinary areas weighs approximately 2 million pounds to accomplish either a 6500-n.mi. range mission or a 3600-n.mi. radius mission with a 350,000-lb payload.

Dynamically assisted Schwinger effect beyond the spatially-uniform-field approximation

NASA Astrophysics Data System (ADS)

Aleksandrov, I. A.; Plunien, G.; Shabaev, V. M.

2018-06-01

We investigate the phenomenon of electron-positron pair production from vacuum in the presence of a strong electric field superimposed by a weak but fast varying pulse which substantially increases the total particle yield. We employ a nonperturbative numerical technique and perform the calculations beyond the spatially-uniform-field approximation, i.e., dipole approximation, taking into account the coordinate dependence of the fast component. The analysis of the main characteristics of the pair-production process (momentum spectra of particles and total amount of pairs) reveals a number of important features which are absent within the previously used approximation. In particular, the structure of the momentum distribution is modified both qualitatively and quantitatively, and the total number of pairs created as well as the enhancement factor due to dynamical assistance become significantly smaller.

A novel condition for stable nonlinear sampled-data models using higher-order discretized approximations with zero dynamics.

PubMed

Zeng, Cheng; Liang, Shan; Xiang, Shuwen

2017-05-01

Continuous-time systems are usually modelled by the form of ordinary differential equations arising from physical laws. However, the use of these models in practice and utilizing, analyzing or transmitting these data from such systems must first invariably be discretized. More importantly, for digital control of a continuous-time nonlinear system, a good sampled-data model is required. This paper investigates the new consistency condition which is weaker than the previous similar results presented. Moreover, given the stability of the high-order approximate model with stable zero dynamics, the novel condition presented stabilizes the exact sampled-data model of the nonlinear system for sufficiently small sampling periods. An insightful interpretation of the obtained results can be made in terms of the stable sampling zero dynamics, and the new consistency condition is surprisingly associated with the relative degree of the nonlinear continuous-time system. Our controller design, based on the higher-order approximate discretized model, extends the existing methods which mainly deal with the Euler approximation. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Approximate N-Player Nonzero-Sum Game Solution for an Uncertain Continuous Nonlinear System.

PubMed

Johnson, Marcus; Kamalapurkar, Rushikesh; Bhasin, Shubhendu; Dixon, Warren E

2015-08-01

An approximate online equilibrium solution is developed for an N -player nonzero-sum game subject to continuous-time nonlinear unknown dynamics and an infinite horizon quadratic cost. A novel actor-critic-identifier structure is used, wherein a robust dynamic neural network is used to asymptotically identify the uncertain system with additive disturbances, and a set of critic and actor NNs are used to approximate the value functions and equilibrium policies, respectively. The weight update laws for the actor neural networks (NNs) are generated using a gradient-descent method, and the critic NNs are generated by least square regression, which are both based on the modified Bellman error that is independent of the system dynamics. A Lyapunov-based stability analysis shows that uniformly ultimately bounded tracking is achieved, and a convergence analysis demonstrates that the approximate control policies converge to a neighborhood of the optimal solutions. The actor, critic, and identifier structures are implemented in real time continuously and simultaneously. Simulations on two and three player games illustrate the performance of the developed method.

Approximate analytical solutions to the double-stance dynamics of the lossy spring-loaded inverted pendulum.

PubMed

Shahbazi, Mohammad; Saranlı, Uluç; Babuška, Robert; Lopes, Gabriel A D

2016-12-05

This paper introduces approximate time-domain solutions to the otherwise non-integrable double-stance dynamics of the 'bipedal' spring-loaded inverted pendulum (B-SLIP) in the presence of non-negligible damping. We first introduce an auxiliary system whose behavior under certain conditions is approximately equivalent to the B-SLIP in double-stance. Then, we derive approximate solutions to the dynamics of the new system following two different methods: (i) updated-momentum approach that can deal with both the lossy and lossless B-SLIP models, and (ii) perturbation-based approach following which we only derive a solution to the lossless case. The prediction performance of each method is characterized via a comprehensive numerical analysis. The derived representations are computationally very efficient compared to numerical integrations, and, hence, are suitable for online planning, increasing the autonomy of walking robots. Two application examples of walking gait control are presented. The proposed solutions can serve as instrumental tools in various fields such as control in legged robotics and human motion understanding in biomechanics.

Analytical approximations to the dynamics of an array of coupled DC SQUIDs

NASA Astrophysics Data System (ADS)

Berggren, Susan; Palacios, Antonio

2014-04-01

Coupled dynamical systems that operate near the onset of a bifurcation can lead, under certain conditions, to strong signal amplification effects. Over the past years we have studied this generic feature on a wide range of systems, including: magnetic and electric fields sensors, gyroscopic devices, and arrays of loops of superconducting quantum interference devices, also known as SQUIDs. In this work, we consider an array of SQUID loops connected in series as a case study to derive asymptotic analytical approximations to the exact solutions through perturbation analysis. Two approaches are considered. First, a straightforward expansion in which the non-linear parameter related to the inductance of the DC SQUID is treated as the small perturbation parameter. Second, a more accurate procedure that considers the SQUID phase dynamics as non-uniform motion on a circle. This second procedure is readily extended to the series array and it could serve as a mathematical framework to find approximate solutions to related complex systems with high-dimensionality. To the best of our knowledge, an approximate analytical solutions to an array of SQUIDs has not been reported yet in the literature.

Resolvent-based modeling of passive scalar dynamics in wall-bounded turbulence

NASA Astrophysics Data System (ADS)

Dawson, Scott; Saxton-Fox, Theresa; McKeon, Beverley

2017-11-01

The resolvent formulation of the Navier-Stokes equations expresses the system state as the output of a linear (resolvent) operator acting upon a nonlinear forcing. Previous studies have demonstrated that a low-rank approximation of this linear operator predicts many known features of incompressible wall-bounded turbulence. In this work, this resolvent model for wall-bounded turbulence is extended to include a passive scalar field. This formulation allows for a number of additional simplifications that reduce model complexity. Firstly, it is shown that the effect of changing scalar diffusivity can be approximated through a transformation of spatial wavenumbers and temporal frequencies. Secondly, passive scalar dynamics may be studied through the low-rank approximation of a passive scalar resolvent operator, which is decoupled from velocity response modes. Thirdly, this passive scalar resolvent operator is amenable to approximation by semi-analytic methods. We investigate the extent to which this resulting hierarchy of models can describe and predict passive scalar dynamics and statistics in wall-bounded turbulence. The support of AFOSR under Grant Numbers FA9550-16-1-0232 and FA9550-16-1-0361 is gratefully acknowledged.

Adaptive Approximation-Based Regulation Control for a Class of Uncertain Nonlinear Systems Without Feedback Linearizability.

PubMed

Wang, Ning; Sun, Jing-Chao; Han, Min; Zheng, Zhongjiu; Er, Meng Joo

2017-09-06

In this paper, for a general class of uncertain nonlinear (cascade) systems, including unknown dynamics, which are not feedback linearizable and cannot be solved by existing approaches, an innovative adaptive approximation-based regulation control (AARC) scheme is developed. Within the framework of adding a power integrator (API), by deriving adaptive laws for output weights and prediction error compensation pertaining to single-hidden-layer feedforward network (SLFN) from the Lyapunov synthesis, a series of SLFN-based approximators are explicitly constructed to exactly dominate completely unknown dynamics. By the virtue of significant advancements on the API technique, an adaptive API methodology is eventually established in combination with SLFN-based adaptive approximators, and it contributes to a recursive mechanism for the AARC scheme. As a consequence, the output regulation error can asymptotically converge to the origin, and all other signals of the closed-loop system are uniformly ultimately bounded. Simulation studies and comprehensive comparisons with backstepping- and API-based approaches demonstrate that the proposed AARC scheme achieves remarkable performance and superiority in dealing with unknown dynamics.

Control of Complex Dynamic Systems by Neural Networks

NASA Technical Reports Server (NTRS)

Spall, James C.; Cristion, John A.

1993-01-01

This paper considers the use of neural networks (NN's) in controlling a nonlinear, stochastic system with unknown process equations. The NN is used to model the resulting unknown control law. The approach here is based on using the output error of the system to train the NN controller without the need to construct a separate model (NN or other type) for the unknown process dynamics. To implement such a direct adaptive control approach, it is required that connection weights in the NN be estimated while the system is being controlled. As a result of the feedback of the unknown process dynamics, however, it is not possible to determine the gradient of the loss function for use in standard (back-propagation-type) weight estimation algorithms. Therefore, this paper considers the use of a new stochastic approximation algorithm for this weight estimation, which is based on a 'simultaneous perturbation' gradient approximation that only requires the system output error. It is shown that this algorithm can greatly enhance the efficiency over more standard stochastic approximation algorithms based on finite-difference gradient approximations.

Optimization of structures undergoing harmonic or stochastic excitation. Ph.D. Thesis; [atmospheric turbulence and white noise

NASA Technical Reports Server (NTRS)

Johnson, E. H.

1975-01-01

The optimal design was investigated of simple structures subjected to dynamic loads, with constraints on the structures' responses. Optimal designs were examined for one dimensional structures excited by harmonically oscillating loads, similar structures excited by white noise, and a wing in the presence of continuous atmospheric turbulence. The first has constraints on the maximum allowable stress while the last two place bounds on the probability of failure of the structure. Approximations were made to replace the time parameter with a frequency parameter. For the first problem, this involved the steady state response, and in the remaining cases, power spectral techniques were employed to find the root mean square values of the responses. Optimal solutions were found by using computer algorithms which combined finite elements methods with optimization techniques based on mathematical programming. It was found that the inertial loads for these dynamic problems result in optimal structures that are radically different from those obtained for structures loaded statically by forces of comparable magnitude.

Planar dynamics of a uniform beam with rigid bodies affixed to the ends

NASA Technical Reports Server (NTRS)

Storch, J.; Gates, S.

1983-01-01

The planar dynamics of a uniform elastic beam subject to a variety of geometric and natural boundary conditions and external excitations were analyzed. The beams are inextensible and capable of small transverse bending deformations only. Classical beam vibration eigenvalue problems for a cantilever with tip mass, a cantilever with tip body and an unconstrained beam with rigid bodies at each are examined. The characteristic equations, eigenfunctions and orthogonality relations for each are derived. The forced vibration of a cantilever with tip body subject to base acceleration is analyzed. The exact solution of the governing nonhomogeneous partial differential equation with time dependent boundary conditions is presented and compared with a Rayleigh-Ritz approximate solution. The arbitrary planar motion of an elastic beam with rigid bodies at the ends is addressed. Equations of motion are derived for two modal expansions of the beam deflection. The motion equations are cast in a first order form suitable for numerical integration. Selected FORTRAN programs are provided.

Data-driven discovery of Koopman eigenfunctions using deep learning

NASA Astrophysics Data System (ADS)

Lusch, Bethany; Brunton, Steven L.; Kutz, J. Nathan

2017-11-01

Koopman operator theory transforms any autonomous non-linear dynamical system into an infinite-dimensional linear system. Since linear systems are well-understood, a mapping of non-linear dynamics to linear dynamics provides a powerful approach to understanding and controlling fluid flows. However, finding the correct change of variables remains an open challenge. We present a strategy to discover an approximate mapping using deep learning. Our neural networks find this change of variables, its inverse, and a finite-dimensional linear dynamical system defined on the new variables. Our method is completely data-driven and only requires measurements of the system, i.e. it does not require derivatives or knowledge of the governing equations. We find a minimal set of approximate Koopman eigenfunctions that are sufficient to reconstruct and advance the system to future states. We demonstrate the method on several dynamical systems.

Dynamics of aerospace vehicles

NASA Technical Reports Server (NTRS)

Schmidt, David K.

1991-01-01

The focus of this research was to address the modeling, including model reduction, of flexible aerospace vehicles, with special emphasis on models used in dynamic analysis and/or guidance and control system design. In the modeling, it is critical that the key aspects of the system being modeled be captured in the model. In this work, therefore, aspects of the vehicle dynamics critical to control design were important. In this regard, fundamental contributions were made in the areas of stability robustness analysis techniques, model reduction techniques, and literal approximations for key dynamic characteristics of flexible vehicles. All these areas are related. In the development of a model, approximations are always involved, so control systems designed using these models must be robust against uncertainties in these models.

A dynamic model of functioning of a bank

NASA Astrophysics Data System (ADS)

Malafeyev, Oleg; Awasthi, Achal; Zaitseva, Irina; Rezenkov, Denis; Bogdanova, Svetlana

2018-04-01

In this paper, we analyze dynamic programming as a novel approach to solve the problem of maximizing the profits of a bank. The mathematical model of the problem and the description of bank's work is described in this paper. The problem is then approached using the method of dynamic programming. Dynamic programming makes sure that the solutions obtained are globally optimal and numerically stable. The optimization process is set up as a discrete multi-stage decision process and solved with the help of dynamic programming.

TAILSIM Users Guide

NASA Technical Reports Server (NTRS)

Hiltner, Dale W.

2000-01-01

The TAILSIM program uses a 4th order Runge-Kutta method to integrate the standard aircraft equations-of-motion (EOM). The EOM determine three translational and three rotational accelerations about the aircraft's body axis reference system. The forces and moments that drive the EOM are determined from aerodynamic coefficients, dynamic derivatives, and control inputs. Values for these terms are determined from linear interpolation of tables that are a function of parameters such as angle-of-attack and surface deflections. Buildup equations combine these terms and dimensionalize them to generate the driving total forces and moments. Features that make TAILSIM applicable to studies of tailplane stall include modeling of the reversible control System, modeling of the pilot performing a load factor and/or airspeed command task, and modeling of vertical gusts. The reversible control system dynamics can be described as two hinged masses connected by a spring. resulting in a fifth order system. The pilot model is a standard form of lead-lag with a time delay applied to an integrated pitch rate and/or airspeed error feedback. The time delay is implemented by a Pade approximation, while the commanded pitch rate is determined by a commanded load factor. Vertical gust inputs include a single 1-cosine gust and a continuous NASA Dryden gust model. These dynamic models. coupled with the use of a nonlinear database, allow the tailplane stall characteristics, elevator response, and resulting aircraft response, to be modeled. A useful output capability of the TAILSIM program is the ability to display multiple post-run plot pages to allow a quick assessment of the time history response. There are 16 plot pages currently available to the user. Each plot page displays 9 parameters. Each parameter can also be displayed individually. on a one plot-per-page format. For a more refined display of the results the program can also create files of tabulated data. which can then be used by other plotting programs. The TAILSIM program was written straightforwardly assuming the user would want to change the database tables, the buildup equations, the output parameters. and the pilot model parameters. A separate database file and input file are automatically read in by the program. The use of an include file to set up all common blocks facilitates easy changing of parameter names and array sizes.

Reformulation of time-convolutionless mode-coupling theory near the glass transition

NASA Astrophysics Data System (ADS)

Tokuyama, Michio

2017-10-01

The time-convolutionless mode-coupling theory (TMCT) recently proposed is reformulated under the condition that one of two approximations, which have been used to formulate the original TMCT in addition to the MCT approximations done on a derivation of nonlinear memory function in terms of the intermediate-scattering function, is not employed because it causes unphysical results for intermediate times. The improved TMCT equation is then derived consistently under another approximation. It is first checked that the ergodic to non-ergodic transition obtained by a new equation is exactly the same as that obtained by an old one because the long-time dynamics of both equations coincides with each other. However, it is emphasized that a difference between them appears in the intermediate-time dynamics of physical quantities. Such a difference is explored numerically in the dynamics of a non-Gaussian parameter by employing the Percus-Yevick static structure factor to calculate the nonlinear memory function.

Study of lubricant circulation in HVAC systems

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

Biancardi, F.; Sienel, T.; Pandy, D.

1997-02-01

This program was aimed at understanding refrigerant/lubricant circulation issues, developing test data and approximate models that can predict operating regimes where good oil management can be assured. A dynamic test facility was constructed and used to examine oil return under varying system operating conditions. The development of industry guidelines for system reliability in using the new refrigerant blends was a goal of this program. To validate the guidelines, techniques and predictions, this dynamic test facility was used to obtain data to compare to the analytical predictions. The overall program approach undertaken to meet this objective was: (1) to identify poormore » oil return scenarios and, therefore, the worst case oil return parameters for conventional residential HVAC systems using HCFC-22 and mineral oils, in terms of compressor, suction and exhaust line vapor velocity, and refrigerant viscosity requirements; (2) design and instrument a test apparatus that simulates such conditions, as well as those that might be achieved with HFC and POE mixtures and HFCs and mineral oils; (3) conduct tests with the range of baseline refrigerants and lubricant mixtures to provide experimental data; and (4) prepare, present and interpret the test data to provide an expanded understanding of the phenomena required for good oil circulation in split-system heat pump systems. To convert this general approach into the program specifics, three major tasks were defined and pursued. These are described briefly here and in greater detail in the report body as Task 1, Task 2, and Task 3. The report prepared for ARTI as part of the MCLR Project Number 665-53100 is described in Volumes 1 and 2, ``Study of Lubricant Circulation in the HVAC Systems,`` October 1996, from the same authors as this publication. This record consists of the overheads used in the presentation.« less

Water resources planning and management : A stochastic dual dynamic programming approach

NASA Astrophysics Data System (ADS)

Goor, Q.; Pinte, D.; Tilmant, A.

2008-12-01

Allocating water between different users and uses, including the environment, is one of the most challenging task facing water resources managers and has always been at the heart of Integrated Water Resources Management (IWRM). As water scarcity is expected to increase over time, allocation decisions among the different uses will have to be found taking into account the complex interactions between water and the economy. Hydro-economic optimization models can capture those interactions while prescribing efficient allocation policies. Many hydro-economic models found in the literature are formulated as large-scale non linear optimization problems (NLP), seeking to maximize net benefits from the system operation while meeting operational and/or institutional constraints, and describing the main hydrological processes. However, those models rarely incorporate the uncertainty inherent to the availability of water, essentially because of the computational difficulties associated stochastic formulations. The purpose of this presentation is to present a stochastic programming model that can identify economically efficient allocation policies in large-scale multipurpose multireservoir systems. The model is based on stochastic dual dynamic programming (SDDP), an extension of traditional SDP that is not affected by the curse of dimensionality. SDDP identify efficient allocation policies while considering the hydrologic uncertainty. The objective function includes the net benefits from the hydropower and irrigation sectors, as well as penalties for not meeting operational and/or institutional constraints. To be able to implement the efficient decomposition scheme that remove the computational burden, the one-stage SDDP problem has to be a linear program. Recent developments improve the representation of the non-linear and mildly non- convex hydropower function through a convex hull approximation of the true hydropower function. This model is illustrated on a cascade of 14 reservoirs on the Nile river basin.

Using Multi-scale Dynamic Rupture Models to Improve Ground Motion Estimates: ALCF-2 Early Science Program Technical Report

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

Ely, Geoffrey P.

2013-10-31

This project uses dynamic rupture simulations to investigate high-frequency seismic energy generation. The relevant phenomena (frictional breakdown, shear heating, effective normal-stress fluctuations, material damage, etc.) controlling rupture are strongly interacting and span many orders of magnitude in spatial scale, requiring highresolution simulations that couple disparate physical processes (e.g., elastodynamics, thermal weakening, pore-fluid transport, and heat conduction). Compounding the computational challenge, we know that natural faults are not planar, but instead have roughness that can be approximated by power laws potentially leading to large, multiscale fluctuations in normal stress. The capacity to perform 3D rupture simulations that couple these processes willmore » provide guidance for constructing appropriate source models for high-frequency ground motion simulations. The improved rupture models from our multi-scale dynamic rupture simulations will be used to conduct physicsbased (3D waveform modeling-based) probabilistic seismic hazard analysis (PSHA) for California. These calculation will provide numerous important seismic hazard results, including a state-wide extended earthquake rupture forecast with rupture variations for all significant events, a synthetic seismogram catalog for thousands of scenario events and more than 5000 physics-based seismic hazard curves for California.« less

Riding and handling qualities of light aircraft: A review and analysis

NASA Technical Reports Server (NTRS)

Smetana, F. O.; Summery, D. C.; Johnson, W. D.

1972-01-01

Design procedures and supporting data necessary for configuring light aircraft to obtain desired responses to pilot commands and gusts are presented. The procedures employ specializations of modern military and jet transport practice where these provide an improvement over earlier practice. General criteria for riding and handling qualities are discussed in terms of the airframe dynamics. Methods available in the literature for calculating the coefficients required for a linearized analysis of the airframe dynamics are reviewed in detail. The review also treats the relation of spin and stall to airframe geometry. Root locus analysis is used to indicate the sensitivity of airframe dynamics to variations in individual stability derivatives and to variations in geometric parameters. Computer programs are given for finding the frequencies, damping ratios, and time constants of all rigid body modes and for generating time histories of aircraft motions in response to control inputs. Appendices are included presenting the derivation of the linearized equations of motion; the stability derivatives; the transfer functions; approximate solutions for the frequency, damping ratio, and time constants; an indication of methods to be used when linear analysis is inadequate; sample calculations; and an explanation of the use of root locus diagrams and Bode plots.

A Program for Solving the Brain Ischemia Problem

PubMed Central

DeGracia, Donald J.

2013-01-01

Our recently described nonlinear dynamical model of cell injury is here applied to the problems of brain ischemia and neuroprotection. We discuss measurement of global brain ischemia injury dynamics by time course analysis. Solutions to proposed experiments are simulated using hypothetical values for the model parameters. The solutions solve the global brain ischemia problem in terms of “master bifurcation diagrams” that show all possible outcomes for arbitrary durations of all lethal cerebral blood flow (CBF) decrements. The global ischemia master bifurcation diagrams: (1) can map to a single focal ischemia insult, and (2) reveal all CBF decrements susceptible to neuroprotection. We simulate measuring a neuroprotectant by time course analysis, which revealed emergent nonlinear effects that set dynamical limits on neuroprotection. Using over-simplified stroke geometry, we calculate a theoretical maximum protection of approximately 50% recovery. We also calculate what is likely to be obtained in practice and obtain 38% recovery; a number close to that often reported in the literature. The hypothetical examples studied here illustrate the use of the nonlinear cell injury model as a fresh avenue of approach that has the potential, not only to solve the brain ischemia problem, but also to advance the technology of neuroprotection. PMID:24961411

Femtosecond/picosecond time-resolved fluorescence study of hydrophilic polymer fine particles.

PubMed

Nanjo, Daisuke; Hosoi, Haruko; Fujino, Tatsuya; Tahara, Tahei; Korenaga, Takashi

2007-03-22

Femtosecond/picosecond time-resolved fluorescence study of hydrophilic polymer fine particles (polyacrylamide, PAAm) was reported. Ultrafast fluorescence dynamics of polymer/water solution was monitored using a fluorescent probe molecule (C153). In the femtosecond time-resolved fluorescence measurement at 480 nm, slowly decay components having lifetimes of tau(1) approximately 53 ps and tau(2) approximately 5 ns were observed in addition to rapid fluorescence decay. Picosecond time-resolved fluorescence spectra of C153/PAAm/H2O solution were also measured. In the time-resolved fluorescence spectra of C153/PAAm/H2O, a peak shift from 490 to 515 nm was measured, which can be assigned to the solvation dynamics of polymer fine particles. The fluorescence peak shift was related to the solvation response function and two time constants were determined (tau(3) approximately 50 ps and tau(4) approximately 467 ps). Therefore, the tau(1) component observed in the femtosecond time-resolved fluorescence measurement was assigned to the solvation dynamics that was observed only in the presence of polymer fine particles. Rotational diffusion measurements were also carried out on the basis of the picosecond time-resolved fluorescence spectra. In the C153/PAAm/H2O solution, anisotropy decay having two different time constants was also derived (tau(6) approximately 76 ps and tau(7) approximately 676 ps), indicating the presence of two different microscopic molecular environments around the polymer surface. Using the Stokes-Einstein-Debye (SED) equation, microscopic viscosity around the polymer surface was evaluated. For the area that gave a rotational diffusion time of tau(6) approximately 76 ps, the calculated viscosity is approximately 1.1 cP and for tau(7) approximately 676 ps, it is approximately 10 cP. The calculated viscosity values clearly revealed that there are two different molecular environments around the polyacrylamide fine particles.

Long-time dynamics of Rouse-Zimm polymers in dilute solutions with hydrodynamic memory.

PubMed

Lisy, V; Tothova, J; Zatovsky, A V

2004-12-01

The dynamics of flexible polymers in dilute solutions is studied taking into account the hydrodynamic memory, as a consequence of fluid inertia. As distinct from the Rouse-Zimm (RZ) theory, the Boussinesq friction force acts on the monomers (beads) instead of the Stokes force, and the motion of the solvent is governed by the nonstationary Navier-Stokes equations. The obtained generalized RZ equation is solved approximately using the preaveraging of the Oseen tensor. It is shown that the time correlation functions describing the polymer motion essentially differ from those in the RZ model. The mean-square displacement (MSD) of the polymer coil is at short times approximately t(2) (instead of approximately t). At long times the MSD contains additional (to the Einstein term) contributions, the leading of which is approximately t. The relaxation of the internal normal modes of the polymer differs from the traditional exponential decay. It is displayed in the long-time tails of their correlation functions, the longest lived being approximately t(-3/2) in the Rouse limit and t(-5/2) in the Zimm case, when the hydrodynamic interaction is strong. It is discussed that the found peculiarities, in particular, an effectively slower diffusion of the polymer coil, should be observable in dynamic scattering experiments. (c) 2004 American Institute of Physics

Hash Bit Selection for Nearest Neighbor Search.

PubMed

Xianglong Liu; Junfeng He; Shih-Fu Chang

2017-11-01

To overcome the barrier of storage and computation when dealing with gigantic-scale data sets, compact hashing has been studied extensively to approximate the nearest neighbor search. Despite the recent advances, critical design issues remain open in how to select the right features, hashing algorithms, and/or parameter settings. In this paper, we address these by posing an optimal hash bit selection problem, in which an optimal subset of hash bits are selected from a pool of candidate bits generated by different features, algorithms, or parameters. Inspired by the optimization criteria used in existing hashing algorithms, we adopt the bit reliability and their complementarity as the selection criteria that can be carefully tailored for hashing performance in different tasks. Then, the bit selection solution is discovered by finding the best tradeoff between search accuracy and time using a modified dynamic programming method. To further reduce the computational complexity, we employ the pairwise relationship among hash bits to approximate the high-order independence property, and formulate it as an efficient quadratic programming method that is theoretically equivalent to the normalized dominant set problem in a vertex- and edge-weighted graph. Extensive large-scale experiments have been conducted under several important application scenarios of hash techniques, where our bit selection framework can achieve superior performance over both the naive selection methods and the state-of-the-art hashing algorithms, with significant accuracy gains ranging from 10% to 50%, relatively.

Implementing a Bayes Filter in a Neural Circuit: The Case of Unknown Stimulus Dynamics.

PubMed

Sokoloski, Sacha

2017-09-01

In order to interact intelligently with objects in the world, animals must first transform neural population responses into estimates of the dynamic, unknown stimuli that caused them. The Bayesian solution to this problem is known as a Bayes filter, which applies Bayes' rule to combine population responses with the predictions of an internal model. The internal model of the Bayes filter is based on the true stimulus dynamics, and in this note, we present a method for training a theoretical neural circuit to approximately implement a Bayes filter when the stimulus dynamics are unknown. To do this we use the inferential properties of linear probabilistic population codes to compute Bayes' rule and train a neural network to compute approximate predictions by the method of maximum likelihood. In particular, we perform stochastic gradient descent on the negative log-likelihood of the neural network parameters with a novel approximation of the gradient. We demonstrate our methods on a finite-state, a linear, and a nonlinear filtering problem and show how the hidden layer of the neural network develops tuning curves consistent with findings in experimental neuroscience.

Methodology for sensitivity analysis, approximate analysis, and design optimization in CFD for multidisciplinary applications. [computational fluid dynamics

NASA Technical Reports Server (NTRS)

Taylor, Arthur C., III; Hou, Gene W.

1992-01-01

Fundamental equations of aerodynamic sensitivity analysis and approximate analysis for the two dimensional thin layer Navier-Stokes equations are reviewed, and special boundary condition considerations necessary to apply these equations to isolated lifting airfoils on 'C' and 'O' meshes are discussed in detail. An efficient strategy which is based on the finite element method and an elastic membrane representation of the computational domain is successfully tested, which circumvents the costly 'brute force' method of obtaining grid sensitivity derivatives, and is also useful in mesh regeneration. The issue of turbulence modeling is addressed in a preliminary study. Aerodynamic shape sensitivity derivatives are efficiently calculated, and their accuracy is validated on two viscous test problems, including: (1) internal flow through a double throat nozzle, and (2) external flow over a NACA 4-digit airfoil. An automated aerodynamic design optimization strategy is outlined which includes the use of a design optimization program, an aerodynamic flow analysis code, an aerodynamic sensitivity and approximate analysis code, and a mesh regeneration and grid sensitivity analysis code. Application of the optimization methodology to the two test problems in each case resulted in a new design having a significantly improved performance in the aerodynamic response of interest.

Dynamic optimization of metabolic networks coupled with gene expression.

PubMed

Waldherr, Steffen; Oyarzún, Diego A; Bockmayr, Alexander

2015-01-21

The regulation of metabolic activity by tuning enzyme expression levels is crucial to sustain cellular growth in changing environments. Metabolic networks are often studied at steady state using constraint-based models and optimization techniques. However, metabolic adaptations driven by changes in gene expression cannot be analyzed by steady state models, as these do not account for temporal changes in biomass composition. Here we present a dynamic optimization framework that integrates the metabolic network with the dynamics of biomass production and composition. An approximation by a timescale separation leads to a coupled model of quasi-steady state constraints on the metabolic reactions, and differential equations for the substrate concentrations and biomass composition. We propose a dynamic optimization approach to determine reaction fluxes for this model, explicitly taking into account enzyme production costs and enzymatic capacity. In contrast to the established dynamic flux balance analysis, our approach allows predicting dynamic changes in both the metabolic fluxes and the biomass composition during metabolic adaptations. Discretization of the optimization problems leads to a linear program that can be efficiently solved. We applied our algorithm in two case studies: a minimal nutrient uptake network, and an abstraction of core metabolic processes in bacteria. In the minimal model, we show that the optimized uptake rates reproduce the empirical Monod growth for bacterial cultures. For the network of core metabolic processes, the dynamic optimization algorithm predicted commonly observed metabolic adaptations, such as a diauxic switch with a preference ranking for different nutrients, re-utilization of waste products after depletion of the original substrate, and metabolic adaptation to an impending nutrient depletion. These examples illustrate how dynamic adaptations of enzyme expression can be predicted solely from an optimization principle. Copyright © 2014 Elsevier Ltd. All rights reserved.

Dynamic Optimization

NASA Technical Reports Server (NTRS)

Laird, Philip

1992-01-01

We distinguish static and dynamic optimization of programs: whereas static optimization modifies a program before runtime and is based only on its syntactical structure, dynamic optimization is based on the statistical properties of the input source and examples of program execution. Explanation-based generalization is a commonly used dynamic optimization method, but its effectiveness as a speedup-learning method is limited, in part because it fails to separate the learning process from the program transformation process. This paper describes a dynamic optimization technique called a learn-optimize cycle that first uses a learning element to uncover predictable patterns in the program execution and then uses an optimization algorithm to map these patterns into beneficial transformations. The technique has been used successfully for dynamic optimization of pure Prolog.

Energetic Consistency and Coupling of the Mean and Covariance Dynamics

NASA Technical Reports Server (NTRS)

Cohn, Stephen E.

2008-01-01

The dynamical state of the ocean and atmosphere is taken to be a large dimensional random vector in a range of large-scale computational applications, including data assimilation, ensemble prediction, sensitivity analysis, and predictability studies. In each of these applications, numerical evolution of the covariance matrix of the random state plays a central role, because this matrix is used to quantify uncertainty in the state of the dynamical system. Since atmospheric and ocean dynamics are nonlinear, there is no closed evolution equation for the covariance matrix, nor for the mean state. Therefore approximate evolution equations must be used. This article studies theoretical properties of the evolution equations for the mean state and covariance matrix that arise in the second-moment closure approximation (third- and higher-order moment discard). This approximation was introduced by EPSTEIN [1969] in an early effort to introduce a stochastic element into deterministic weather forecasting, and was studied further by FLEMING [1971a,b], EPSTEIN and PITCHER [1972], and PITCHER [1977], also in the context of atmospheric predictability. It has since fallen into disuse, with a simpler one being used in current large-scale applications. The theoretical results of this article make a case that this approximation should be reconsidered for use in large-scale applications, however, because the second moment closure equations possess a property of energetic consistency that the approximate equations now in common use do not possess. A number of properties of solutions of the second-moment closure equations that result from this energetic consistency will be established.

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.

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.

An approximation technique for predicting the transient response of a second order nonlinear equation

NASA Technical Reports Server (NTRS)

Laurenson, R. M.; Baumgarten, J. R.

1975-01-01

An approximation technique has been developed for determining the transient response of a nonlinear dynamic system. The nonlinearities in the system which has been considered appear in the system's dissipation function. This function was expressed as a second order polynomial in the system's velocity. The developed approximation is an extension of the classic Kryloff-Bogoliuboff technique. Two examples of the developed approximation are presented for comparative purposes with other approximation methods.

Spatial dynamics of invasion: the geometry of introduced species.

PubMed

Korniss, Gyorgy; Caraco, Thomas

2005-03-07

Many exotic species combine low probability of establishment at each introduction with rapid population growth once introduction does succeed. To analyse this phenomenon, we note that invaders often cluster spatially when rare, and consequently an introduced exotic's population dynamics should depend on locally structured interactions. Ecological theory for spatially structured invasion relies on deterministic approximations, and determinism does not address the observed uncertainty of the exotic-introduction process. We take a new approach to the population dynamics of invasion and, by extension, to the general question of invasibility in any spatial ecology. We apply the physical theory for nucleation of spatial systems to a lattice-based model of competition between plant species, a resident and an invader, and the analysis reaches conclusions that differ qualitatively from the standard ecological theories. Nucleation theory distinguishes between dynamics of single- and multi-cluster invasion. Low introduction rates and small system size produce single-cluster dynamics, where success or failure of introduction is inherently stochastic. Single-cluster invasion occurs only if the cluster reaches a critical size, typically preceded by a number of failed attempts. For this case, we identify the functional form of the probability distribution of time elapsing until invasion succeeds. Although multi-cluster invasion for sufficiently large systems exhibits spatial averaging and almost-deterministic dynamics of the global densities, an analytical approximation from nucleation theory, known as Avrami's law, describes our simulation results far better than standard ecological approximations.

Advanced and innovative wind energy concept development: Dynamic inducer system, executive summary

NASA Astrophysics Data System (ADS)

Lissaman, P. B. S.; Zalay, A. D.; Hibbs, B. H.

1981-05-01

Concepts to improve the technical and economic performance of wind energy conversion systems (WECS) were examined. One technique for improving the cost-effectiveness of WECS is the use of tip vanes. Tip vanes are small airfoils attached approximately at right angles to the rotor tips with their span oriented approximately parallel to the local freestream. The performance benefits of the dynamic inducer tip vane system were demonstrated Tow-tests conducted on a three-bladed, 3.6-meter diameter rotor show that a dynamic inducer can achieve a power coefficient of 0.5, which exceeds that of a plain rotor by about 35%.

Warm Dense Matter Demonstrating Non-Drude Conductivity from Observations of Nonlinear Plasmon Damping

NASA Astrophysics Data System (ADS)

Witte, B. B. L.; Fletcher, L. B.; Galtier, E.; Gamboa, E.; Lee, H. J.; Zastrau, U.; Redmer, R.; Glenzer, S. H.; Sperling, P.

2017-06-01

We present simulations using finite-temperature density-functional-theory molecular dynamics to calculate the dynamic electrical conductivity in warm dense aluminum. The comparison between exchange-correlation functionals in the Perdew-Burke-Enzerhof and Heyd-Scuseria-Enzerhof (HSE) approximation indicates evident differences in the density of states and the dc conductivity. The HSE calculations show excellent agreement with experimental Linac Coherent Light Source x-ray plasmon scattering spectra revealing plasmon damping below the widely used random phase approximation. These findings demonstrate non-Drude-like behavior of the dynamic conductivity that needs to be taken into account to determine the optical properties of warm dense matter.

Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.

PubMed

Vorobjev, Y N; Almagro, J C; Hermans, J

1998-09-01

A new method for calculating the total conformational free energy of proteins in water solvent is presented. The method consists of a relatively brief simulation by molecular dynamics with explicit solvent (ES) molecules to produce a set of microstates of the macroscopic conformation. Conformational energy and entropy are obtained from the simulation, the latter in the quasi-harmonic approximation by analysis of the covariance matrix. The implicit solvent (IS) dielectric continuum model is used to calculate the average solvation free energy as the sum of the free energies of creating the solute-size hydrophobic cavity, of the van der Waals solute-solvent interactions, and of the polarization of water solvent by the solute's charges. The reliability of the solvation free energy depends on a number of factors: the details of arrangement of the protein's charges, especially those near the surface; the definition of the molecular surface; and the method chosen for solving the Poisson equation. Molecular dynamics simulation in explicit solvent relaxes the protein's conformation and allows polar surface groups to assume conformations compatible with interaction with solvent, while averaging of internal energy and solvation free energy tend to enhance the precision. Two recently developed methods--SIMS, for calculation of a smooth invariant molecular surface, and FAMBE, for solution of the Poisson equation via a fast adaptive multigrid boundary element--have been employed. The SIMS and FAMBE programs scale linearly with the number of atoms. SIMS is superior to Connolly's MS (molecular surface) program: it is faster, more accurate, and more stable, and it smooths singularities of the molecular surface. Solvation free energies calculated with these two programs do not depend on molecular position or orientation and are stable along a molecular dynamics trajectory. We have applied this method to calculate the conformational free energy of native and intentionally misfolded globular conformations of proteins (the EMBL set of deliberately misfolded proteins) and have obtained good discrimination in favor of the native conformations in all instances.

Strong Field Theories beyond Dipole Approximations in Nonrelativistic Regimes

NASA Astrophysics Data System (ADS)

He, Pei-Lun; Lao, Di; He, Feng

2017-04-01

The exact nondipole Volkov solutions to the Schrödinger equation and Pauli equation are found, based on which a strong field theory beyond the dipole approximation is built for describing the nondipole effects in nonrelativistic laser driven electron dynamics. This theory is applied to investigate momentum partition laws for multiphoton and tunneling ionization and explicitly shows that the complex interplay of a laser field and Coulomb action may reverse the expected photoelectron momentum along the laser propagation direction. The magnetic-spin coupling does not bring observable effects on the photoelectron momentum distribution and can be neglected. Compared to the strong field approximation within the dipole approximation, this theory works in a much wider range of laser parameters and lays a solid foundation for describing nonrelativistic electron dynamics in both short wavelength and midinfrared regimes where nondipole effects are unavoidable.

Few-body quark dynamics for doubly heavy baryons and tetraquarks

NASA Astrophysics Data System (ADS)

Richard, Jean-Marc; Valcarce, Alfredo; Vijande, Javier

2018-03-01

We discuss the adequate treatment of the three- and four-body dynamics for the quark model picture of double-charm baryons and tetraquarks. We stress that the variational and Born-Oppenheimer approximations give energies very close to the exact ones, while the diquark approximation might be somewhat misleading. The Hall-Post inequalities also provide very useful lower bounds that exclude the possibility of stable tetraquarks for some mass ratios and some color wave functions.

Ranked solutions to a class of combinatorial optimizations—with applications in mass spectrometry based peptide sequencing and a variant of directed paths in random media

NASA Astrophysics Data System (ADS)

Doerr, Timothy P.; Alves, Gelio; Yu, Yi-Kuo

2005-08-01

Typical combinatorial optimizations are NP-hard; however, for a particular class of cost functions the corresponding combinatorial optimizations can be solved in polynomial time using the transfer matrix technique or, equivalently, the dynamic programming approach. This suggests a way to efficiently find approximate solutions-find a transformation that makes the cost function as similar as possible to that of the solvable class. After keeping many high-ranking solutions using the approximate cost function, one may then re-assess these solutions with the full cost function to find the best approximate solution. Under this approach, it is important to be able to assess the quality of the solutions obtained, e.g., by finding the true ranking of the kth best approximate solution when all possible solutions are considered exhaustively. To tackle this statistical issue, we provide a systematic method starting with a scaling function generated from the finite number of high-ranking solutions followed by a convergent iterative mapping. This method, useful in a variant of the directed paths in random media problem proposed here, can also provide a statistical significance assessment for one of the most important proteomic tasks-peptide sequencing using tandem mass spectrometry data. For directed paths in random media, the scaling function depends on the particular realization of randomness; in the mass spectrometry case, the scaling function is spectrum-specific.

Addressing Dynamic Issues of Program Model Checking

NASA Technical Reports Server (NTRS)

Lerda, Flavio; Visser, Willem

2001-01-01

Model checking real programs has recently become an active research area. Programs however exhibit two characteristics that make model checking difficult: the complexity of their state and the dynamic nature of many programs. Here we address both these issues within the context of the Java PathFinder (JPF) model checker. Firstly, we will show how the state of a Java program can be encoded efficiently and how this encoding can be exploited to improve model checking. Next we show how to use symmetry reductions to alleviate some of the problems introduced by the dynamic nature of Java programs. Lastly, we show how distributed model checking of a dynamic program can be achieved, and furthermore, how dynamic partitions of the state space can improve model checking. We support all our findings with results from applying these techniques within the JPF model checker.

Analysis of structural dynamic data from Skylab. Volume 1: Technical discussion

NASA Technical Reports Server (NTRS)

Demchak, L.; Harcrow, H.

1976-01-01

A compendium of Skylab structural dynamics analytical and test programs is presented. These programs are assessed to identify lessons learned from the structural dynamic prediction effort and to provide guidelines for future analysts and program managers of complex spacecraft systems. It is a synopsis of the structural dynamic effort performed under the Skylab Integration contract and specifically covers the development, utilization, and correlation of Skylab Dynamic Orbital Models.

Collisionless Dynamics and the Cosmic Web

NASA Astrophysics Data System (ADS)

Hahn, Oliver

2016-10-01

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

Bellman's GAP--a language and compiler for dynamic programming in sequence analysis.

PubMed

Sauthoff, Georg; Möhl, Mathias; Janssen, Stefan; Giegerich, Robert

2013-03-01

Dynamic programming is ubiquitous in bioinformatics. Developing and implementing non-trivial dynamic programming algorithms is often error prone and tedious. Bellman's GAP is a new programming system, designed to ease the development of bioinformatics tools based on the dynamic programming technique. In Bellman's GAP, dynamic programming algorithms are described in a declarative style by tree grammars, evaluation algebras and products formed thereof. This bypasses the design of explicit dynamic programming recurrences and yields programs that are free of subscript errors, modular and easy to modify. The declarative modules are compiled into C++ code that is competitive to carefully hand-crafted implementations. This article introduces the Bellman's GAP system and its language, GAP-L. It then demonstrates the ease of development and the degree of re-use by creating variants of two common bioinformatics algorithms. Finally, it evaluates Bellman's GAP as an implementation platform of 'real-world' bioinformatics tools. Bellman's GAP is available under GPL license from http://bibiserv.cebitec.uni-bielefeld.de/bellmansgap. This Web site includes a repository of re-usable modules for RNA folding based on thermodynamics.

An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision

NASA Astrophysics Data System (ADS)

Yang, Dongzheng; Hu, Xixi; Zhang, Dong H.; Xie, Daiqian

2018-02-01

Solving the time-independent close coupling equations of a diatom-diatom inelastic collision system by using the rigorous close-coupling approach is numerically difficult because of its expensive matrix manipulation. The coupled-states approximation decouples the centrifugal matrix by neglecting the important Coriolis couplings completely. In this work, a new approximation method based on the coupled-states approximation is presented and applied to time-independent quantum dynamic calculations. This approach only considers the most important Coriolis coupling with the nearest neighbors and ignores weaker Coriolis couplings with farther K channels. As a result, it reduces the computational costs without a significant loss of accuracy. Numerical tests for para-H2+ortho-H2 and para-H2+HD inelastic collision were carried out and the results showed that the improved method dramatically reduces the errors due to the neglect of the Coriolis couplings in the coupled-states approximation. This strategy should be useful in quantum dynamics of other systems.

A Reduced Dimension Static, Linearized Kalman Filter and Smoother

NASA Technical Reports Server (NTRS)

Fukumori, I.

1995-01-01

An approximate Kalman filter and smoother, based on approximations of the state estimation error covariance matrix, is described. Approximations include a reduction of the effective state dimension, use of a static asymptotic error limit, and a time-invariant linearization of the dynamic model for error integration. The approximations lead to dramatic computational savings in applying estimation theory to large complex systems. Examples of use come from TOPEX/POSEIDON.

Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation

NASA Astrophysics Data System (ADS)

Rossi, Mariana; Kapil, Venkat; Ceriotti, Michele

2018-03-01

Generalized Langevin Equation (GLE) thermostats have been used very effectively as a tool to manipulate and optimize the sampling of thermodynamic ensembles and the associated static properties. Here we show that a similar, exquisite level of control can be achieved for the dynamical properties computed from thermostatted trajectories. We develop quantitative measures of the disturbance induced by the GLE to the Hamiltonian dynamics of a harmonic oscillator, and show that these analytical results accurately predict the behavior of strongly anharmonic systems. We also show that it is possible to correct, to a significant extent, the effects of the GLE term onto the corresponding microcanonical dynamics, which puts on more solid grounds the use of non-equilibrium Langevin dynamics to approximate quantum nuclear effects and could help improve the prediction of dynamical quantities from techniques that use a Langevin term to stabilize dynamics. Finally we address the use of thermostats in the context of approximate path-integral-based models of quantum nuclear dynamics. We demonstrate that a custom-tailored GLE can alleviate some of the artifacts associated with these techniques, improving the quality of results for the modeling of vibrational dynamics of molecules, liquids, and solids.

Asian longhorned beetle cooperative eradication program: program accomplishments 2001

Treesearch

Christine Markham

2003-01-01

APHIS spent approximately $3 million to continue ALB eradication activities in New York and Illinois in FY 2001. In New York 6,615 trees were removed, over 4,500 trees replanted, and approximately 121 square miles were under quarantine.

Service-linked scholarships, loans, and loan repayment programs for nurses in the southeast.

PubMed

Thaker, Samir I; Pathman, Donald E; Mark, Barbara A; Ricketts, Thomas C

2008-01-01

A variety of public and private programs provide financial support for the costs of nurses' training in exchange for service commitments to work in rural, underserved, and other needy areas. Little is known about the number, size, and operations of these support-for-service programs for nurses. We identified and in this article describe such programs in eight southeastern states. Eligible programs were those that in 2004 paid for all or a portion of nurses' education costs in exchange for a period of clinical nursing service within one or more of the eight targeted states. Programs obligating nurses to a specific hospital, practice, or community or to teaching roles were excluded. Programs were identified through available compendia, online searches, and telephone contacts with program directors, nursing school administrators, and state officials. Additional data on eligible programs were gathered through telephone interviews and questionnaires mailed to program staff and from publicly available documents. Data were double coded, and qualitative and quantitative analyses were conducted. Twenty-four nursing support-for-service programs met our eligibility criteria in the eight-state region: nine scholarship programs; six loan repayment programs; five service-cancelable loan programs; two loan interest rate reduction programs; and two direct incentive programs. These programs had fiscal year 2004 budgets totaling approximately $28.8-31.8 million; collectively, they received approximately 11,700 applications from nurses, signed approximately 8,300 contracts, and had a combined field strength of approximately 4,900 nurses working to fulfill their program obligations. Individual states offered between zero and five eligible programs each. Support-for-service programs are a substantial component of federal and state nursing workforce distribution efforts in the Southeast. Future research should identify and describe these programs for other regions, measure outcomes, and offer recommendations to maximize their effectiveness in alleviating nursing shortages.

Using Static Percentiles of AE9/AP9 to Approximate Dynamic Monte Carlo Runs for Radiation Analysis of Spiral Transfer Orbits

NASA Astrophysics Data System (ADS)

Kwan, Betty P.; O'Brien, T. Paul

2015-06-01

The Aerospace Corporation performed a study to determine whether static percentiles of AE9/AP9 can be used to approximate dynamic Monte Carlo runs for radiation analysis of spiral transfer orbits. Solar panel degradation is a major concern for solar-electric propulsion because solar-electric propulsion depends on the power output of the solar panel. Different spiral trajectories have different radiation environments that could lead to solar panel degradation. Because the spiral transfer orbits only last weeks to months, an average environment does not adequately address the possible transient enhancements of the radiation environment that must be accounted for in optimizing the transfer orbit trajectory. Therefore, to optimize the trajectory, an ensemble of Monte Carlo simulations of AE9/AP9 would normally be run for every spiral trajectory to determine the 95th percentile radiation environment. To avoid performing lengthy Monte Carlo dynamic simulations for every candidate spiral trajectory in the optimization, we found a static percentile that would be an accurate representation of the full Monte Carlo simulation for a representative set of spiral trajectories. For 3 LEO to GEO and 1 LEO to MEO trajectories, a static 90th percentile AP9 is a good approximation of the 95th percentile fluence with dynamics for 4-10 MeV protons, and a static 80th percentile AE9 is a good approximation of the 95th percentile fluence with dynamics for 0.5-2 MeV electrons. While the specific percentiles chosen cannot necessarily be used in general for other orbit trade studies, the concept of determining a static percentile as a quick approximation to a full Monte Carlo ensemble of simulations can likely be applied to other orbit trade studies. We expect the static percentile to depend on the region of space traversed, the mission duration, and the radiation effect considered.

Testing approximations for non-linear gravitational clustering

NASA Technical Reports Server (NTRS)

Coles, Peter; Melott, Adrian L.; Shandarin, Sergei F.

1993-01-01

The accuracy of various analytic approximations for following the evolution of cosmological density fluctuations into the nonlinear regime is investigated. The Zel'dovich approximation is found to be consistently the best approximation scheme. It is extremely accurate for power spectra characterized by n = -1 or less; when the approximation is 'enhanced' by truncating highly nonlinear Fourier modes the approximation is excellent even for n = +1. The performance of linear theory is less spectrum-dependent, but this approximation is less accurate than the Zel'dovich one for all cases because of the failure to treat dynamics. The lognormal approximation generally provides a very poor fit to the spatial pattern.

Intelligent automated surface grid generation

NASA Technical Reports Server (NTRS)

Yao, Ke-Thia; Gelsey, Andrew

1995-01-01

The goal of our research is to produce a flexible, general grid generator for automated use by other programs, such as numerical optimizers. The current trend in the gridding field is toward interactive gridding. Interactive gridding more readily taps into the spatial reasoning abilities of the human user through the use of a graphical interface with a mouse. However, a sometimes fruitful approach to generating new designs is to apply an optimizer with shape modification operators to improve an initial design. In order for this approach to be useful, the optimizer must be able to automatically grid and evaluate the candidate designs. This paper describes and intelligent gridder that is capable of analyzing the topology of the spatial domain and predicting approximate physical behaviors based on the geometry of the spatial domain to automatically generate grids for computational fluid dynamics simulators. Typically gridding programs are given a partitioning of the spatial domain to assist the gridder. Our gridder is capable of performing this partitioning. This enables the gridder to automatically grid spatial domains of wide range of configurations.

Real time emotion aware applications: a case study employing emotion evocative pictures and neuro-physiological sensing enhanced by Graphic Processor Units.

PubMed

Konstantinidis, Evdokimos I; Frantzidis, Christos A; Pappas, Costas; Bamidis, Panagiotis D

2012-07-01

In this paper the feasibility of adopting Graphic Processor Units towards real-time emotion aware computing is investigated for boosting the time consuming computations employed in such applications. The proposed methodology was employed in analysis of encephalographic and electrodermal data gathered when participants passively viewed emotional evocative stimuli. The GPU effectiveness when processing electroencephalographic and electrodermal recordings is demonstrated by comparing the execution time of chaos/complexity analysis through nonlinear dynamics (multi-channel correlation dimension/D2) and signal processing algorithms (computation of skin conductance level/SCL) into various popular programming environments. Apart from the beneficial role of parallel programming, the adoption of special design techniques regarding memory management may further enhance the time minimization which approximates a factor of 30 in comparison with ANSI C language (single-core sequential execution). Therefore, the use of GPU parallel capabilities offers a reliable and robust solution for real-time sensing the user's affective state. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

PubMed Central

Yamashita, Takefumi; Peng, Yuxing; Knight, Chris; Voth, Gregory A.

2012-01-01

It is a computationally demanding task to explicitly simulate the electronic degrees of freedom in a system to observe the chemical transformations of interest, while at the same time sampling the time and length scales required to converge statistical properties and thus reduce artifacts due to initial conditions, finite-size effects, and limited sampling. One solution that significantly reduces the computational expense consists of molecular models in which effective interactions between particles govern the dynamics of the system. If the interaction potentials in these models are developed to reproduce calculated properties from electronic structure calculations and/or ab initio molecular dynamics simulations, then one can calculate accurate properties at a fraction of the computational cost. Multiconfigurational algorithms model the system as a linear combination of several chemical bonding topologies to simulate chemical reactions, also sometimes referred to as “multistate”. These algorithms typically utilize energy and force calculations already found in popular molecular dynamics software packages, thus facilitating their implementation without significant changes to the structure of the code. However, the evaluation of energies and forces for several bonding topologies per simulation step can lead to poor computational efficiency if redundancy is not efficiently removed, particularly with respect to the calculation of long-ranged Coulombic interactions. This paper presents accurate approximations (effective long-range interaction and resulting hybrid methods) and multiple-program parallelization strategies for the efficient calculation of electrostatic interactions in reactive molecular simulations. PMID:25100924

Approximating basins of attraction for dynamical systems via stable radial bases

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

Cavoretto, R.; De Rossi, A.; Perracchione, E.

2016-06-08

In applied sciences it is often required to model and supervise temporal evolution of populations via dynamical systems. In this paper, we focus on the problem of approximating the basins of attraction of such models for each stable equilibrium point. We propose to reconstruct the basins via an implicit interpolant using stable radial bases, obtaining the surfaces by partitioning the phase space into disjoint regions. An application to a competition model presenting jointly three stable equilibria is considered.

Indirect synthesis of multidegree-of-freedom transient systems

NASA Technical Reports Server (NTRS)

Chen, Y. H.; Pilkey, W. D.; Kalinowski, A. J.

1976-01-01

The indirect synthesis method is developed and shown to be capable of leading a near-optimal design of multidegree-of-freedom and multidesign-element transient nonlinear dynamical systems. The basis of the approach is to select the open design parameters such that the response of the portion of the system being designed approximates the limiting performances solution. The limiting performance problem can be formulated as one of linear programming by replacing all portions of the system subject to transient disturbances by control forces and supposing that the remaining portions are linear as are the overall kinematic constraints. One then selects the design parameters that respond most closely to the limiting performance solution, which can be achieved by unconstrained curve-fitting techniques.

Low-dimensional Representation of Error Covariance

NASA Technical Reports Server (NTRS)

Tippett, Michael K.; Cohn, Stephen E.; Todling, Ricardo; Marchesin, Dan

2000-01-01

Ensemble and reduced-rank approaches to prediction and assimilation rely on low-dimensional approximations of the estimation error covariances. Here stability properties of the forecast/analysis cycle for linear, time-independent systems are used to identify factors that cause the steady-state analysis error covariance to admit a low-dimensional representation. A useful measure of forecast/analysis cycle stability is the bound matrix, a function of the dynamics, observation operator and assimilation method. Upper and lower estimates for the steady-state analysis error covariance matrix eigenvalues are derived from the bound matrix. The estimates generalize to time-dependent systems. If much of the steady-state analysis error variance is due to a few dominant modes, the leading eigenvectors of the bound matrix approximate those of the steady-state analysis error covariance matrix. The analytical results are illustrated in two numerical examples where the Kalman filter is carried to steady state. The first example uses the dynamics of a generalized advection equation exhibiting nonmodal transient growth. Failure to observe growing modes leads to increased steady-state analysis error variances. Leading eigenvectors of the steady-state analysis error covariance matrix are well approximated by leading eigenvectors of the bound matrix. The second example uses the dynamics of a damped baroclinic wave model. The leading eigenvectors of a lowest-order approximation of the bound matrix are shown to approximate well the leading eigenvectors of the steady-state analysis error covariance matrix.

OPTRAN- OPTIMAL LOW THRUST ORBIT TRANSFERS

NASA Technical Reports Server (NTRS)

Breakwell, J. V.

1994-01-01

OPTRAN is a collection of programs that solve the problem of optimal low thrust orbit transfers between non-coplanar circular orbits for spacecraft with chemical propulsion systems. The programs are set up to find Hohmann-type solutions, with burns near the perigee and apogee of the transfer orbit. They will solve both fairly long burn-arc transfers and "divided-burn" transfers. Program modeling includes a spherical earth gravity model and propulsion system models for either constant thrust or constant acceleration. The solutions obtained are optimal with respect to fuel use: i.e., final mass of the spacecraft is maximized with respect to the controls. The controls are the direction of thrust and the thrust on/off times. Two basic types of programs are provided in OPTRAN. The first type is for "exact solution" which results in complete, exact tkme-histories. The exact spacecraft position, velocity, and optimal thrust direction are given throughout the maneuver, as are the optimal thrust switch points, the transfer time, and the fuel costs. Exact solution programs are provided in two versions for non-coplanar transfers and in a fast version for coplanar transfers. The second basic type is for "approximate solutions" which results in approximate information on the transfer time and fuel costs. The approximate solution is used to estimate initial conditions for the exact solution. It can be used in divided-burn transfers to find the best number of burns with respect to time. The approximate solution is useful by itself in relatively efficient, short burn-arc transfers. These programs are written in FORTRAN 77 for batch execution and have been implemented on a DEC VAX series computer with the largest program having a central memory requirement of approximately 54K of 8 bit bytes. The OPTRAN program were developed in 1983.

An approximation formula for a class of fault-tolerant computers

NASA Technical Reports Server (NTRS)

White, A. L.

1986-01-01

An approximation formula is derived for the probability of failure for fault-tolerant process-control computers. These computers use redundancy and reconfiguration to achieve high reliability. Finite-state Markov models capture the dynamic behavior of component failure and system recovery, and the approximation formula permits an estimation of system reliability by an easy examination of the model.

Flight test results for the Daedalus and Light Eagle human powered aircraft

NASA Technical Reports Server (NTRS)

Sullivan, R. Bryan; Zerweckh, Siegfried H.

1988-01-01

The results of the flight test program of the Daedalus and Light Eagle human powered aircraft in the winter of 1987/88 are given. The results from experiments exploring the Light Eagle's rigid body and structural dynamics are presented. The interactions of these dynamics with the autopilot design are investigated. Estimates of the power required to fly the Daedalus aircraft are detailed. The system of sensors, signal conditioning boards, and data acquisition equipment used to record the flight data is also described. In order to investigate the dynamics of the aircraft, flight test maneuvers were developed to yield maximum data quality from the point of view of estimating lateral and longitudinal stability derivatives. From this data, structural flexibility and unsteady aerodynamics have been modeled in an ad hoc manner and are used to augment the equations of motion with flexibility effects. Results of maneuvers that were flown are compared with the predictions from the flexibility model. To extend the ad hoc flexibility model, a fully flexible aeroelastic model has been developed. The model is unusual in the approximate equality of many structural natural frequencies and the importance of unsteady aerodynamic effects. the Gossamer Albatross. It is hypothesized that this inverse ground effect is caused by turbulence in the Earth's boundary layer. The diameters of the largest boundary layer eddies (which represent most of the turbulent kinetic energy) are proportional to altitude; thus, closer to the ground, the energy in the boundary layer becomes concentrated in eddies of smaller and smaller diameter. Eventually the eddies become sufficiently small (approximately 0.5 cm) that they trip the laminar boundary layer on the wing. As a result, a greater percentage of the wing area is covered with turbulent flow. Consequently the aircraft's drag and the pow er required both increase as the aircraft flies closer to the ground. The results of the flight test program are examined critically, especially with respect to future applications. Maneuvers that allow the observation of stability derivatives for flexible aircraft are detailed. Considerations for the design of autopilots for future human power aircraft and high-altitude RPV's are discussed. Techniques useful in estimating the power required to fly aircraft of very high lift to drag ratio are described.

A highly optimized code for calculating atomic data at neutron star magnetic field strengths using a doubly self-consistent Hartree-Fock-Roothaan method

NASA Astrophysics Data System (ADS)

Schimeczek, C.; Engel, D.; Wunner, G.

2012-07-01

Our previously published code for calculating energies and bound-bound transitions of medium-Z elements at neutron star magnetic field strengths [D. Engel, M. Klews, G. Wunner, Comput. Phys. Comm. 180 (2009) 302-311] was based on the adiabatic approximation. It assumes a complete decoupling of the (fast) gyration of the electrons under the action of the magnetic field and the (slow) bound motion along the field under the action of the Coulomb forces. For the single-particle orbitals this implied that each is a product of a Landau state and an (unknown) longitudinal wave function whose B-spline coefficients were determined self-consistently by solving the Hartree-Fock equations for the many-electron problem on a finite-element grid. In the present code we go beyond the adiabatic approximation, by allowing the transverse part of each orbital to be a superposition of Landau states, while assuming that the longitudinal part can be approximated by the same wave function in each Landau level. Inserting this ansatz into the energy variational principle leads to a system of coupled equations in which the B-spline coefficients depend on the weights of the individual Landau states, and vice versa, and which therefore has to be solved in a doubly self-consistent manner. The extended ansatz takes into account the back-reaction of the Coulomb motion of the electrons along the field direction on their motion in the plane perpendicular to the field, an effect which cannot be captured by the adiabatic approximation. The new code allows for the inclusion of up to 8 Landau levels. This reduces the relative error of energy values as compared to the adiabatic approximation results by typically a factor of three (1/3 of the original error), and yields accurate results also in regions of lower neutron star magnetic field strengths where the adiabatic approximation fails. Further improvements in the code are a more sophisticated choice of the initial wave functions, which takes into account the shielding of the core potential for outer electrons by inner electrons, and an optimal finite-element decomposition of each individual longitudinal wave function. These measures largely enhance the convergence properties compared to the previous code, and lead to speed-ups by factors up to two orders of magnitude compared with the implementation of the Hartree-Fock-Roothaan method used by Engel and Wunner in [D. Engel, G. Wunner, Phys. Rev. A 78 (2008) 032515]. New version program summaryProgram title: HFFER II Catalogue identifier: AECC_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECC_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: v 55 130 No. of bytes in distributed program, including test data, etc.: 293 700 Distribution format: tar.gz Programming language: Fortran 95 Computer: Cluster of 1-13 HP Compaq dc5750 Operating system: Linux Has the code been vectorized or parallelized?: Yes, parallelized using MPI directives. RAM: 1 GByte per node Classification: 2.1 External routines: MPI/GFortran, LAPACK, BLAS, FMlib (included in the package) Catalogue identifier of previous version: AECC_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 302 Does the new version supersede the previous version?: Yes Nature of problem: Quantitative modellings of features observed in the X-ray spectra of isolated magnetic neutron stars are hampered by the lack of sufficiently large and accurate databases for atoms and ions up to the last fusion product, iron, at strong magnetic field strengths. Our code is intended to provide a powerful tool for calculating energies and oscillator strengths of medium-Z atoms and ions at neutron star magnetic field strengths with sufficient accuracy in a routine way to create such databases. Solution method: The Slater determinants of the atomic wave functions are constructed from single-particle orbitals ψi which are products of a wave function in the z direction (the direction of the magnetic field) and an expansion of the wave function perpendicular to the direction of the magnetic field in terms of Landau states, ψi(ρ,φ,z)=Pi(z)∑n=0NLtinϕni(ρ,φ). The tin are expansion coefficients, and the expansion is cut off at some maximum Landau level quantum number n=NL. In the previous version of the code only the lowest Landau level was included (NL=0), in the new version NL can take values of up to 7. As in the previous version of the code, the longitudinal wave functions are expanded in terms of sixth-order B-splines on finite elements on the z axis, with a combination of equidistant and quadratically widening element borders. Both the B-spline expansion coefficients and the Landau weights tin of all orbitals have to be determined in a doubly self-consistent way: For a given set of Landau weights tin, the system of linear equations for the B-spline expansion coefficients, which is equivalent to the Hartree-Fock equations for the longitudinal wave functions, is solved numerically. In the second step, for frozen B-spline coefficients new Landau weights are determined by minimizing the total energy with respect to the Landau expansion coefficients. Both steps require solving non-linear eigenvalue problems of Roothaan type. The procedure is repeated until convergence of both the B-spline coefficients and the Landau weights is achieved. Reasons for new version: The former version of the code was restricted to the adiabatic approximation, which assumes the quantum dynamics of the electrons in the plane perpendicular to the magnetic field to be fixed in the lowest Landau level, n=0. This approximation is valid only if the magnetic field strengths are large compared to the reference magnetic field BZ, for a nuclear charge Z,BZ=Z24.70108×105 T. Summary of revisions: In the new version, the transverse parts of the orbitals are expanded in terms of Landau states up to n=7, and the expansion coefficients are determined, together with the longitudinal wave functions, in a doubly self-consistent way. Thus the back-reaction of the quantum dynamics along the magnetic field direction on the quantum dynamics in the plane perpendicular to it is taken into account. The new ansatz not only increases the accuracy of the results for energy values and transition strengths obtained so far, but also allows their calculation for magnetic field strengths down to B≳BZ, where the adiabatic approximation fails. Restrictions: Intense magnetic field strengths are required, since the expansion of the transverse single-particle wave functions using 8 Landau levels will no longer produce accurate results if the scaled magnetic field strength parameter βZ=B/BZ becomes much smaller than unity. Unusual features: A huge program speed-up is achieved by making use of pre-calculated binary files. These can be calculated with additional programs provided with this package. Running time: 1-30 min.

One-dimensional magnetic fluctuations in the spin-2 triangular lattice alpha-NaMnO2.

PubMed

Stock, C; Chapon, L C; Adamopoulos, O; Lappas, A; Giot, M; Taylor, J W; Green, M A; Brown, C M; Radaelli, P G

2009-08-14

The S=2 anisotropic triangular lattice alpha-NaMnO2 is studied by neutron inelastic scattering. Antiferromagnetic order occurs at T< or =45 K with opening of a spin gap. The spectral weight of the magnetic dynamics above the gap (Delta approximately equal to 7.5 meV) has been analyzed by the single-mode approximation. Excellent agreement with the experiment is achieved when a dominant exchange interaction (|J|/k(B) approximately 73 K), along the monoclinic b axis and a sizable easy-axis magnetic anisotropy (|D|/k(B) approximately 3 K) are considered. Despite earlier suggestions for two-dimensional spin interactions, the dynamics illustrate strongly coupled antiferromagnetic S=2 chains and cancellation of the interchain exchange due to the lattice topology. alpha-NaMnO2 therefore represents a model system where the geometric frustration is resolved through the lowering of the dimensionality of the spin interactions.

Diverse Eruptions at Approximately 2,200 Years B.P. on the Great Rift, Idaho: Inferences for Magma Dynamics Along Volcanic Rift Zones

NASA Technical Reports Server (NTRS)

Hughes, S. S.; Nawotniak, S. E. Kobs; Borg, C.; Mallonee, H. C.; Purcell, S.; Neish, C.; Garry, W. B.; Haberle, C. W.; Lim, D. S. S.; Heldmann, J. L.

2016-01-01

Compositionally and morphologically diverse lava flows erupted on the Great Rift of Idaho approximately 2.2 ka (kilo-annum, 1000 years ago) during a volcanic "flare-up" of activity following an approximately 2 ky (kiloyear, 1000 years) hiatus in eruptions. Volcanism at Craters of the Moon (COTM), Wapi and Kings Bowl lava fields around this time included primitive and evolved compositions, separated over 75 kilometers along the approximately 85 kilometers-long rift, with striking variability in lava flow emplacement mechanisms and surface morphologies. Although the temporal associations may be coincidental, the system provides a planetary analog to better understand magma dynamics along rift systems, including that associated with lunar floor-fractured craters. This study aims to help bridge the knowledge gap between ancient rift volcanism evident on the Moon and other terrestrial planets, and active rift volcanism, e.g., at Hawai'i and Iceland.

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

Franović, Igor, E-mail: franovic@ipb.ac.rs; Todorović, Kristina; Burić, Nikola

We use the mean-field approach to analyze the collective dynamics in macroscopic networks of stochastic Fitzhugh-Nagumo units with delayed couplings. The conditions for validity of the two main approximations behind the model, called the Gaussian approximation and the Quasi-independence approximation, are examined. It is shown that the dynamics of the mean-field model may indicate in a self-consistent fashion the parameter domains where the Quasi-independence approximation fails. Apart from a network of globally coupled units, we also consider the paradigmatic setup of two interacting assemblies to demonstrate how our framework may be extended to hierarchical and modular networks. In both cases,more » the mean-field model can be used to qualitatively analyze the stability of the system, as well as the scenarios for the onset and the suppression of the collective mode. In quantitative terms, the mean-field model is capable of predicting the average oscillation frequency corresponding to the global variables of the exact system.« less

Travelling-wave solutions of a weakly nonlinear two-dimensional higher-order Kadomtsev-Petviashvili dynamical equation for dispersive shallow-water waves

NASA Astrophysics Data System (ADS)

Seadawy, Aly R.

2017-01-01

The propagation of three-dimensional nonlinear irrotational flow of an inviscid and incompressible fluid of the long waves in dispersive shallow-water approximation is analyzed. The problem formulation of the long waves in dispersive shallow-water approximation lead to fifth-order Kadomtsev-Petviashvili (KP) dynamical equation by applying the reductive perturbation theory. By using an extended auxiliary equation method, the solitary travelling-wave solutions of the two-dimensional nonlinear fifth-order KP dynamical equation are derived. An analytical as well as a numerical solution of the two-dimensional nonlinear KP equation are obtained and analyzed with the effects of external pressure flow.

System Identification for Nonlinear Control Using Neural Networks

NASA Technical Reports Server (NTRS)

Stengel, Robert F.; Linse, Dennis J.

1990-01-01

An approach to incorporating artificial neural networks in nonlinear, adaptive control systems is described. The controller contains three principal elements: a nonlinear inverse dynamic control law whose coefficients depend on a comprehensive model of the plant, a neural network that models system dynamics, and a state estimator whose outputs drive the control law and train the neural network. Attention is focused on the system identification task, which combines an extended Kalman filter with generalized spline function approximation. Continual learning is possible during normal operation, without taking the system off line for specialized training. Nonlinear inverse dynamic control requires smooth derivatives as well as function estimates, imposing stringent goals on the approximating technique.

Fixed gain and adaptive techniques for rotorcraft vibration control

NASA Technical Reports Server (NTRS)

Roy, R. H.; Saberi, H. A.; Walker, R. A.

1985-01-01

The results of an analysis effort performed to demonstrate the feasibility of employing approximate dynamical models and frequency shaped cost functional control law desgin techniques for helicopter vibration suppression are presented. Both fixed gain and adaptive control designs based on linear second order dynamical models were implemented in a detailed Rotor Systems Research Aircraft (RSRA) simulation to validate these active vibration suppression control laws. Approximate models of fuselage flexibility were included in the RSRA simulation in order to more accurately characterize the structural dynamics. The results for both the fixed gain and adaptive approaches are promising and provide a foundation for pursuing further validation in more extensive simulation studies and in wind tunnel and/or flight tests.

Observations of non-linear plasmon damping in dense plasmas

NASA Astrophysics Data System (ADS)

Witte, B. B. L.; Sperling, P.; French, M.; Recoules, V.; Glenzer, S. H.; Redmer, R.

2018-05-01

We present simulations using finite-temperature density-functional-theory molecular-dynamics to calculate dynamic dielectric properties in warm dense aluminum. The comparison between exchange-correlation functionals in the Perdew, Burke, Ernzerhof approximation, Strongly Constrained and Appropriately Normed Semilocal Density Functional, and Heyd, Scuseria, Ernzerhof (HSE) approximation indicates evident differences in the electron transition energies, dc conductivity, and Lorenz number. The HSE calculations show excellent agreement with x-ray scattering data [Witte et al., Phys. Rev. Lett. 118, 225001 (2017)] as well as dc conductivity and absorption measurements. These findings demonstrate non-Drude behavior of the dynamic conductivity above the Cooper minimum that needs to be taken into account to determine optical properties in the warm dense matter regime.

Evaluation of MOSTAS computer code for predicting dynamic loads in two-bladed wind turbines

NASA Technical Reports Server (NTRS)

Kaza, K. R. V.; Janetzke, D. C.; Sullivan, T. L.

1979-01-01

Calculated dynamic blade loads are compared with measured loads over a range of yaw stiffnesses of the DOE/NASA Mod-0 wind turbine to evaluate the performance of two versions of the MOSTAS computer code. The first version uses a time-averaged coefficient approximation in conjunction with a multiblade coordinate transformation for two-bladed rotors to solve the equations of motion by standard eigenanalysis. The results obtained with this approximate analysis do not agree with dynamic blade load amplifications at or close to resonance conditions. The results of the second version, which accounts for periodic coefficients while solving the equations by a time history integration, compare well with the measured data.

Optimization of conventional water treatment plant using dynamic programming.

PubMed

Mostafa, Khezri Seyed; Bahareh, Ghafari; Elahe, Dadvar; Pegah, Dadras

2015-12-01

In this research, the mathematical models, indicating the capability of various units, such as rapid mixing, coagulation and flocculation, sedimentation, and the rapid sand filtration are used. Moreover, cost functions were used for the formulation of conventional water and wastewater treatment plant by applying Clark's formula (Clark, 1982). Also, by applying dynamic programming algorithm, it is easy to design a conventional treatment system with minimal cost. The application of the model for a case reduced the annual cost. This reduction was approximately in the range of 4.5-9.5% considering variable limitations. Sensitivity analysis and prediction of system's feedbacks were performed for different alterations in proportion from parameters optimized amounts. The results indicated (1) that the objective function is more sensitive to design flow rate (Q), (2) the variations in the alum dosage (A), and (3) the sand filter head loss (H). Increasing the inflow by 20%, the total annual cost would increase to about 12.6%, while 20% reduction in inflow leads to 15.2% decrease in the total annual cost. Similarly, 20% increase in alum dosage causes 7.1% increase in the total annual cost, while 20% decrease results in 7.9% decrease in the total annual cost. Furthermore, the pressure decrease causes 2.95 and 3.39% increase and decrease in total annual cost of treatment plants. © The Author(s) 2013.

Programmable display of DNA-protein chimeras for controlling cell-hydrogel interactions via reversible intermolecular hybridization.

PubMed

Zhang, Zhaoyang; Li, Shihui; Chen, Niancao; Yang, Cheng; Wang, Yong

2013-04-08

Extensive studies have been recently carried out to achieve dynamic control of cell-material interactions primarily through physicochemical stimulation. The purpose of this study was to apply reversible intermolecular hybridization to program cell-hydrogel interactions in physiological conditions based on DNA-antibody chimeras and complementary oligonucleotides. The results showed that DNA oligonucleotides could be captured to and released from the immobilizing DNA-functionalized hydrogels with high specificity via DNA hybridization. Accordingly, DNA-antibody chimeras were captured to the hydrogels, successfully inducing specific cell attachment. The cell attachment to the hydrogels reached the plateau at approximately half an hour after the functionalized hydrogels and the cells were incubated together. The attached cells were rapidly released from the bound hydrogels when triggering complementary oligonucleotides were introduced to the system. However, the capability of the triggering complementary oligonucleotides in releasing cells was affected by the length of intermolecular hybridization. The length needed to be at least more than 20 base pairs in the current experimental setting. Notably, because the procedure of intermolecular hybridization did not involve any harsh condition, the released cells maintained the same viability as that of the cultured cells. The functionalized hydrogels also exhibited the potential to catch and release cells repeatedly. Therefore, this study demonstrates that it is promising to regulate cell-material interactions dynamically through the DNA-programmed display of DNA-protein chimeras.

Metamodeling and the Critic-based approach to multi-level optimization.

PubMed

Werbos, Ludmilla; Kozma, Robert; Silva-Lugo, Rodrigo; Pazienza, Giovanni E; Werbos, Paul J

2012-08-01

Large-scale networks with hundreds of thousands of variables and constraints are becoming more and more common in logistics, communications, and distribution domains. Traditionally, the utility functions defined on such networks are optimized using some variation of Linear Programming, such as Mixed Integer Programming (MIP). Despite enormous progress both in hardware (multiprocessor systems and specialized processors) and software (Gurobi) we are reaching the limits of what these tools can handle in real time. Modern logistic problems, for example, call for expanding the problem both vertically (from one day up to several days) and horizontally (combining separate solution stages into an integrated model). The complexity of such integrated models calls for alternative methods of solution, such as Approximate Dynamic Programming (ADP), which provide a further increase in the performance necessary for the daily operation. In this paper, we present the theoretical basis and related experiments for solving the multistage decision problems based on the results obtained for shorter periods, as building blocks for the models and the solution, via Critic-Model-Action cycles, where various types of neural networks are combined with traditional MIP models in a unified optimization system. In this system architecture, fast and simple feed-forward networks are trained to reasonably initialize more complicated recurrent networks, which serve as approximators of the value function (Critic). The combination of interrelated neural networks and optimization modules allows for multiple queries for the same system, providing flexibility and optimizing performance for large-scale real-life problems. A MATLAB implementation of our solution procedure for a realistic set of data and constraints shows promising results, compared to the iterative MIP approach. Copyright © 2012 Elsevier Ltd. All rights reserved.

Electrostatically confined nanoparticle interactions and dynamics.

PubMed

Eichmann, Shannon L; Anekal, Samartha G; Bevan, Michael A

2008-02-05

We report integrated evanescent wave and video microscopy measurements of three-dimensional trajectories of 50, 100, and 250 nm gold nanoparticles electrostatically confined between parallel planar glass surfaces separated by 350 and 600 nm silica colloid spacers. Equilibrium analyses of single and ensemble particle height distributions normal to the confining walls produce net electrostatic potentials in excellent agreement with theoretical predictions. Dynamic analyses indicate lateral particle diffusion coefficients approximately 30-50% smaller than expected from predictions including the effects of the equilibrium particle distribution within the gap and multibody hydrodynamic interactions with the confining walls. Consistent analyses of equilibrium and dynamic information in each measurement do not indicate any roles for particle heating or hydrodynamic slip at the particle or wall surfaces, which would both increase diffusivities. Instead, lower than expected diffusivities are speculated to arise from electroviscous effects enhanced by the relative extent (kappaa approximately 1-3) and overlap (kappah approximately 2-4) of electrostatic double layers on the particle and wall surfaces. These results demonstrate direct, quantitative measurements and a consistent interpretation of metal nanoparticle electrostatic interactions and dynamics in a confined geometry, which provides a basis for future similar measurements involving other colloidal forces and specific biomolecular interactions.

Exact and approximate many-body dynamics with stochastic one-body density matrix evolution

NASA Astrophysics Data System (ADS)

Lacroix, Denis

2005-06-01

We show that the dynamics of interacting fermions can be exactly replaced by a quantum jump theory in the many-body density matrix space. In this theory, jumps occur between densities formed of pairs of Slater determinants, Dab=|Φa><Φb|, where each state evolves according to the stochastic Schrödinger equation given by O. Juillet and Ph. Chomaz [Phys. Rev. Lett. 88, 142503 (2002)]. A stochastic Liouville-von Neumann equation is derived as well as the associated. Bogolyubov-Born-Green-Kirwood-Yvon hierarchy. Due to the specific form of the many-body density along the path, the presented theory is equivalent to a stochastic theory in one-body density matrix space, in which each density matrix evolves according to its own mean-field augmented by a one-body noise. Guided by the exact reformulation, a stochastic mean-field dynamics valid in the weak coupling approximation is proposed. This theory leads to an approximate treatment of two-body effects similar to the extended time-dependent Hartree-Fock scheme. In this stochastic mean-field dynamics, statistical mixing can be directly considered and jumps occur on a coarse-grained time scale. Accordingly, numerical effort is expected to be significantly reduced for applications.

Variational Bayesian identification and prediction of stochastic nonlinear dynamic causal models.

PubMed

Daunizeau, J; Friston, K J; Kiebel, S J

2009-11-01

In this paper, we describe a general variational Bayesian approach for approximate inference on nonlinear stochastic dynamic models. This scheme extends established approximate inference on hidden-states to cover: (i) nonlinear evolution and observation functions, (ii) unknown parameters and (precision) hyperparameters and (iii) model comparison and prediction under uncertainty. Model identification or inversion entails the estimation of the marginal likelihood or evidence of a model. This difficult integration problem can be finessed by optimising a free-energy bound on the evidence using results from variational calculus. This yields a deterministic update scheme that optimises an approximation to the posterior density on the unknown model variables. We derive such a variational Bayesian scheme in the context of nonlinear stochastic dynamic hierarchical models, for both model identification and time-series prediction. The computational complexity of the scheme is comparable to that of an extended Kalman filter, which is critical when inverting high dimensional models or long time-series. Using Monte-Carlo simulations, we assess the estimation efficiency of this variational Bayesian approach using three stochastic variants of chaotic dynamic systems. We also demonstrate the model comparison capabilities of the method, its self-consistency and its predictive power.

Ecological Research Division Theoretical Ecology Program. [Contains abstracts

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

Not Available

1990-10-01

This report presents the goals of the Theoretical Ecology Program and abstracts of research in progress. Abstracts cover both theoretical research that began as part of the terrestrial ecology core program and new projects funded by the theoretical program begun in 1988. Projects have been clustered into four major categories: Ecosystem dynamics; landscape/scaling dynamics; population dynamics; and experiment/sample design.

INDDGO: Integrated Network Decomposition & Dynamic programming for Graph Optimization

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

Groer, Christopher S; Sullivan, Blair D; Weerapurage, Dinesh P

2012-10-01

It is well-known that dynamic programming algorithms can utilize tree decompositions to provide a way to solve some \\emph{NP}-hard problems on graphs where the complexity is polynomial in the number of nodes and edges in the graph, but exponential in the width of the underlying tree decomposition. However, there has been relatively little computational work done to determine the practical utility of such dynamic programming algorithms. We have developed software to construct tree decompositions using various heuristics and have created a fast, memory-efficient dynamic programming implementation for solving maximum weighted independent set. We describe our software and the algorithms wemore » have implemented, focusing on memory saving techniques for the dynamic programming. We compare the running time and memory usage of our implementation with other techniques for solving maximum weighted independent set, including a commercial integer programming solver and a semi-definite programming solver. Our results indicate that it is possible to solve some instances where the underlying decomposition has width much larger than suggested by the literature. For certain types of problems, our dynamic programming code runs several times faster than these other methods.« less

[Temporal-spatial characteristics of land use in Xinjian County, Jiangxi Province].

PubMed

Chen, Wenbo; Zhao, Xiaofan; Cui, Lijuan

2006-05-01

With the support of RS and GIS, and using a series of indices in characterizing the dynamics of land use, this paper studied the temporal-spatial characteristics of land use in Xinjian County, Jiangxi Province, between 1991 and 2000. The results indicated that among single land use types, the area for construction changed mostly. The annual change speed of comprehensive land dynamic index between 1991 and 1995 was 0.5 times higher than that between 1996 and 2000, and the utilization grade in 1991, 1996 and 2000 was 243.7, 44.1 and 244.9, respectively, being a little higher than the national average grade. The land inflow and outflow in 1996 to approximately 2000 was lower than that in 1991 to approximately 1995, and the land use change was from bilateral dynamics to unilateral unbalanced dynamics.

Neural Networks for Rapid Design and Analysis

NASA Technical Reports Server (NTRS)

Sparks, Dean W., Jr.; Maghami, Peiman G.

1998-01-01

Artificial neural networks have been employed for rapid and efficient dynamics and control analysis of flexible systems. Specifically, feedforward neural networks are designed to approximate nonlinear dynamic components over prescribed input ranges, and are used in simulations as a means to speed up the overall time response analysis process. To capture the recursive nature of dynamic components with artificial neural networks, recurrent networks, which use state feedback with the appropriate number of time delays, as inputs to the networks, are employed. Once properly trained, neural networks can give very good approximations to nonlinear dynamic components, and by their judicious use in simulations, allow the analyst the potential to speed up the analysis process considerably. To illustrate this potential speed up, an existing simulation model of a spacecraft reaction wheel system is executed, first conventionally, and then with an artificial neural network in place.

The unstaggered extension to GFDL's FV3 dynamical core on the cubed-sphere

NASA Astrophysics Data System (ADS)

Chen, X.; Lin, S. J.; Harris, L.

2017-12-01

Finite-volume schemes have become popular for atmospheric transport since they provide intrinsic mass conservation to constituent species. Many CFD codes use unstaggered discretizations for finite volume methods with an approximate Riemann solver. However, this approach is inefficient for geophysical flows due to the complexity of the Riemann solver. We introduce a Low Mach number Approximate Riemann Solver (LMARS) simplified using assumptions appropriate for atmospheric flows: the wind speed is much slower than the sound speed, weak discontinuities, and locally uniform sound wave velocity. LMARS makes possible a Riemann-solver-based dynamical core comparable in computational efficiency to many current dynamical cores. We will present a 3D finite-volume dynamical core using LMARS in a cubed-sphere geometry with a vertically Lagrangian discretization. Results from standard idealized test cases will be discussed.

The Complexity of Dynamics in Small Neural Circuits

PubMed Central

Panzeri, Stefano

2016-01-01

Mean-field approximations are a powerful tool for studying large neural networks. However, they do not describe well the behavior of networks composed of a small number of neurons. In this case, major differences between the mean-field approximation and the real behavior of the network can arise. Yet, many interesting problems in neuroscience involve the study of mesoscopic networks composed of a few tens of neurons. Nonetheless, mathematical methods that correctly describe networks of small size are still rare, and this prevents us to make progress in understanding neural dynamics at these intermediate scales. Here we develop a novel systematic analysis of the dynamics of arbitrarily small networks composed of homogeneous populations of excitatory and inhibitory firing-rate neurons. We study the local bifurcations of their neural activity with an approach that is largely analytically tractable, and we numerically determine the global bifurcations. We find that for strong inhibition these networks give rise to very complex dynamics, caused by the formation of multiple branching solutions of the neural dynamics equations that emerge through spontaneous symmetry-breaking. This qualitative change of the neural dynamics is a finite-size effect of the network, that reveals qualitative and previously unexplored differences between mesoscopic cortical circuits and their mean-field approximation. The most important consequence of spontaneous symmetry-breaking is the ability of mesoscopic networks to regulate their degree of functional heterogeneity, which is thought to help reducing the detrimental effect of noise correlations on cortical information processing. PMID:27494737

Near-Optimal Tracking Control of Mobile Robots Via Receding-Horizon Dual Heuristic Programming.

PubMed

Lian, Chuanqiang; Xu, Xin; Chen, Hong; He, Haibo

2016-11-01

Trajectory tracking control of wheeled mobile robots (WMRs) has been an important research topic in control theory and robotics. Although various tracking control methods with stability have been developed for WMRs, it is still difficult to design optimal or near-optimal tracking controller under uncertainties and disturbances. In this paper, a near-optimal tracking control method is presented for WMRs based on receding-horizon dual heuristic programming (RHDHP). In the proposed method, a backstepping kinematic controller is designed to generate desired velocity profiles and the receding horizon strategy is used to decompose the infinite-horizon optimal control problem into a series of finite-horizon optimal control problems. In each horizon, a closed-loop tracking control policy is successively updated using a class of approximate dynamic programming algorithms called finite-horizon dual heuristic programming (DHP). The convergence property of the proposed method is analyzed and it is shown that the tracking control system based on RHDHP is asymptotically stable by using the Lyapunov approach. Simulation results on three tracking control problems demonstrate that the proposed method has improved control performance when compared with conventional model predictive control (MPC) and DHP. It is also illustrated that the proposed method has lower computational burden than conventional MPC, which is very beneficial for real-time tracking control.

Computer program system for dynamic simulation and stability analysis of passive and actively controlled spacecraft. Volume 1. Theory

NASA Technical Reports Server (NTRS)

Bodley, C. S.; Devers, D. A.; Park, C. A.

1975-01-01

A theoretical development and associated digital computer program system is presented. The dynamic system (spacecraft) is modeled as an assembly of rigid and/or flexible bodies not necessarily in a topological tree configuration. The computer program system may be used to investigate total system dynamic characteristics including interaction effects between rigid and/or flexible bodies, control systems, and a wide range of environmental loadings. Additionally, the program system may be used for design of attitude control systems and for evaluation of total dynamic system performance including time domain response and frequency domain stability analyses. Volume 1 presents the theoretical developments including a description of the physical system, the equations of dynamic equilibrium, discussion of kinematics and system topology, a complete treatment of momentum wheel coupling, and a discussion of gravity gradient and environmental effects. Volume 2, is a program users' guide and includes a description of the overall digital program code, individual subroutines and a description of required program input and generated program output. Volume 3 presents the results of selected demonstration problems that illustrate all program system capabilities.

Adaptive hybrid simulations for multiscale stochastic reaction networks

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

Hepp, Benjamin; Gupta, Ankit; Khammash, Mustafa

2015-01-21

The probability distribution describing the state of a Stochastic Reaction Network (SRN) evolves according to the Chemical Master Equation (CME). It is common to estimate its solution using Monte Carlo methods such as the Stochastic Simulation Algorithm (SSA). In many cases, these simulations can take an impractical amount of computational time. Therefore, many methods have been developed that approximate sample paths of the underlying stochastic process and estimate the solution of the CME. A prominent class of these methods include hybrid methods that partition the set of species and the set of reactions into discrete and continuous subsets. Such amore » partition separates the dynamics into a discrete and a continuous part. Simulating such a stochastic process can be computationally much easier than simulating the exact discrete stochastic process with SSA. Moreover, the quasi-stationary assumption to approximate the dynamics of fast subnetworks can be applied for certain classes of networks. However, as the dynamics of a SRN evolves, these partitions may have to be adapted during the simulation. We develop a hybrid method that approximates the solution of a CME by automatically partitioning the reactions and species sets into discrete and continuous components and applying the quasi-stationary assumption on identifiable fast subnetworks. Our method does not require any user intervention and it adapts to exploit the changing timescale separation between reactions and/or changing magnitudes of copy-numbers of constituent species. We demonstrate the efficiency of the proposed method by considering examples from systems biology and showing that very good approximations to the exact probability distributions can be achieved in significantly less computational time. This is especially the case for systems with oscillatory dynamics, where the system dynamics change considerably throughout the time-period of interest.« less

Adaptive hybrid simulations for multiscale stochastic reaction networks.

PubMed

Hepp, Benjamin; Gupta, Ankit; Khammash, Mustafa

2015-01-21

The probability distribution describing the state of a Stochastic Reaction Network (SRN) evolves according to the Chemical Master Equation (CME). It is common to estimate its solution using Monte Carlo methods such as the Stochastic Simulation Algorithm (SSA). In many cases, these simulations can take an impractical amount of computational time. Therefore, many methods have been developed that approximate sample paths of the underlying stochastic process and estimate the solution of the CME. A prominent class of these methods include hybrid methods that partition the set of species and the set of reactions into discrete and continuous subsets. Such a partition separates the dynamics into a discrete and a continuous part. Simulating such a stochastic process can be computationally much easier than simulating the exact discrete stochastic process with SSA. Moreover, the quasi-stationary assumption to approximate the dynamics of fast subnetworks can be applied for certain classes of networks. However, as the dynamics of a SRN evolves, these partitions may have to be adapted during the simulation. We develop a hybrid method that approximates the solution of a CME by automatically partitioning the reactions and species sets into discrete and continuous components and applying the quasi-stationary assumption on identifiable fast subnetworks. Our method does not require any user intervention and it adapts to exploit the changing timescale separation between reactions and/or changing magnitudes of copy-numbers of constituent species. We demonstrate the efficiency of the proposed method by considering examples from systems biology and showing that very good approximations to the exact probability distributions can be achieved in significantly less computational time. This is especially the case for systems with oscillatory dynamics, where the system dynamics change considerably throughout the time-period of interest.

Dynamically Consistent Shallow-Atmosphere Equations with a Complete Coriolis force

NASA Astrophysics Data System (ADS)

Tort, Marine; Dubos, Thomas; Bouchut, François; Zeitlin, Vladimir

2014-05-01

Dynamically Consistent Shallow-Atmosphere Equations with a Complete Coriolis force Marine Tort1, Thomas Dubos1, François Bouchut2 & Vladimir Zeitlin1,3 1 Laboratoire of Dynamical Meteorology, Univ. P. and M. Curie, Ecole Normale Supérieure, and Ecole Polytechnique, FRANCE 2 Université Paris-Est, Laboratoire d'Analyse et de Mathématiques Appliquées, FRANCE 3 Institut Universitaire de France Atmospheric and oceanic motion are usually modeled within the shallow-fluid approximation, which simplifies the 3D spherical geometry. For dynamical consistency, i.e. to ensure conservation laws for potential vorticity, energy and angular momentum, the horizontal component of the Coriolis force is neglected. Here new equation sets combining consistently a simplified shallow-fluid geometry with a complete Coriolis force is presented. The derivation invokes Hamilton's principle of least action with an approximate Lagrangian capturing the small increase with height of the solid-body entrainment velocity due to planetary rotation. A three-dimensional compressible model and a one-layer shallow-water model are obtained. The latter extends previous work done on the f-plane and β-plane. Preliminary numerical results confirm the accuracy of the 3D model within the range of parameters for which the equations are relevant. These new models could be useful to incorporate a full Coriolis force into existing numerical models and to disentangle the effects of the shallow-atmosphere approximation from those of the traditional approximation. Related papers: Tort M., Dubos T., Bouchut F. and Zeitlin V. Consistent shallow-water equations on the rotating sphere with complete Coriolis force and topography. J. Fluid Mech. (under revisions) Tort M. and Dubos T. Dynamically consistent shallow-atmosphere equations with a complete Coriolis force. Q.J.R. Meteorol. Soc. (DOI: 10.1002/qj.2274)

Two-dimensional model of resonant electron collisions with diatomic molecules and molecular cations

NASA Astrophysics Data System (ADS)

Vana, Martin; Hvizdos, David; Houfek, Karel; Curik, Roman; Greene, Chris H.; Rescigno, Thomas N.; McCurdy, C. William

2016-05-01

A simple model for resonant collisions of electrons with diatomic molecules with one electronic and one nuclear degree of freedom (2D model) which was solved numerically exactly within the time-independent approach was used to probe the local complex potential approximation and nonlocal approximation to nuclear dynamics of these collisions. This model was reformulated in the time-dependent picture and extended to model also electron collisions with molecular cations, especially with H2+.This model enables an assessment of approximate methods, such as the boomerang model or the frame transformation theory. We will present both time-dependent and time-independent results and show how we can use the model to extract deeper insight into the dynamics of the resonant collisions.

Gaseous Viscous Peeling of Linearly Elastic Substrates

NASA Astrophysics Data System (ADS)

Elbaz, Shai; Jacob, Hila; Gat, Amir

2017-11-01

We study pressure-driven propagation of gas into a micron-scale gap between two linearly elastic substrates. Applying the lubrication approximation, the governing nonlinear evolution equation describes the interaction between elasticity and viscosity, as well as weak rarefaction and low-Mach-number compressibility, characteristic to gaseous microflows. Several physical limits allow simplification of the evolution equation and enable solution by self-similarity. During the peeling process the flow-field transitions between the different limits and the respective approximate solutions. The sequence of limits occurring during the propagation dynamics can be related to the thickness of the prewetting layer of the configuration at rest, yielding an approximate description of the entire peeling dynamics. The results are validated by numerical solutions of the evolution equation. Israel Science Foundation 818/13.

Mean-field approximations of fixation time distributions of evolutionary game dynamics on graphs

NASA Astrophysics Data System (ADS)

Ying, Li-Min; Zhou, Jie; Tang, Ming; Guan, Shu-Guang; Zou, Yong

2018-02-01

The mean fixation time is often not accurate for describing the timescales of fixation probabilities of evolutionary games taking place on complex networks. We simulate the game dynamics on top of complex network topologies and approximate the fixation time distributions using a mean-field approach. We assume that there are two absorbing states. Numerically, we show that the mean fixation time is sufficient in characterizing the evolutionary timescales when network structures are close to the well-mixing condition. In contrast, the mean fixation time shows large inaccuracies when networks become sparse. The approximation accuracy is determined by the network structure, and hence by the suitability of the mean-field approach. The numerical results show good agreement with the theoretical predictions.

77 FR 19408 - Dynamic Mobility Applications and Data Capture Management Programs; Notice of Public Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-30

... DEPARTMENT OF TRANSPORTATION Dynamic Mobility Applications and Data Capture Management Programs...) Intelligent Transportation System Joint Program Office (ITS JPO) will host a free public meeting to provide stakeholders an update on the Data Capture and Management (DCM) and Dynamic Mobility Applications (DMA...

Multibody dynamics model building using graphical interfaces

NASA Technical Reports Server (NTRS)

Macala, Glenn A.

1989-01-01

In recent years, the extremely laborious task of manually deriving equations of motion for the simulation of multibody spacecraft dynamics has largely been eliminated. Instead, the dynamicist now works with commonly available general purpose dynamics simulation programs which generate the equations of motion either explicitly or implicitly via computer codes. The user interface to these programs has predominantly been via input data files, each with its own required format and peculiarities, causing errors and frustrations during program setup. Recent progress in a more natural method of data input for dynamics programs: the graphical interface, is described.

Multigrid based First-Principles Molecular Dynamics

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

Fattebert, Jean-Luc; Osei-Kuffuor, Daniel; Dunn, Ian

2017-06-01

MGmol ls a First-Principles Molecular Dynamics code. It relies on the Born-Oppenheimer approximation and models the electronic structure using Density Functional Theory, either LDA or PBE. Norm-conserving pseudopotentials are used to model atomic cores.

Earth and ocean dynamics program

NASA Technical Reports Server (NTRS)

Vonbun, F. O.

1976-01-01

The objectives and requirements of the Earth and Ocean Dynamics Programs are outlined along with major goals and experiments. Spaceborne as well as ground systems needed to accomplish program goals are listed and discussed along with program accomplishments.

Simulating the Physical World

NASA Astrophysics Data System (ADS)

Berendsen, Herman J. C.

2004-06-01

The simulation of physical systems requires a simplified, hierarchical approach which models each level from the atomistic to the macroscopic scale. From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, describing the fundamental theory behind each level of approximation. Berendsen evaluates each stage in relation to its applications giving the reader insight into the possibilities and limitations of the models. Practical guidance for applications and sample programs in Python are provided. With a strong emphasis on molecular models in chemistry and biochemistry, this book will be suitable for advanced undergraduate and graduate courses on molecular modeling and simulation within physics, biophysics, physical chemistry and materials science. It will also be a useful reference to all those working in the field. Additional resources for this title including solutions for instructors and programs are available online at www.cambridge.org/9780521835275. The first book to cover the wide range of modeling and simulations, from atomistic to the macroscopic scale, in a systematic fashion Providing a wealth of background material, it does not assume advanced knowledge and is eminently suitable for course use Contains practical examples and sample programs in Python

Adaptive bi-level programming for optimal gene knockouts for targeted overproduction under phenotypic constraints

PubMed Central

2013-01-01

Background Optimization procedures to identify gene knockouts for targeted biochemical overproduction have been widely in use in modern metabolic engineering. Flux balance analysis (FBA) framework has provided conceptual simplifications for genome-scale dynamic analysis at steady states. Based on FBA, many current optimization methods for targeted bio-productions have been developed under the maximum cell growth assumption. The optimization problem to derive gene knockout strategies recently has been formulated as a bi-level programming problem in OptKnock for maximum targeted bio-productions with maximum growth rates. However, it has been shown that knockout mutants in fact reach the steady states with the minimization of metabolic adjustment (MOMA) from the corresponding wild-type strains instead of having maximal growth rates after genetic or metabolic intervention. In this work, we propose a new bi-level computational framework--MOMAKnock--which can derive robust knockout strategies under the MOMA flux distribution approximation. Methods In this new bi-level optimization framework, we aim to maximize the production of targeted chemicals by identifying candidate knockout genes or reactions under phenotypic constraints approximated by the MOMA assumption. Hence, the targeted chemical production is the primary objective of MOMAKnock while the MOMA assumption is formulated as the inner problem of constraining the knockout metabolic flux to be as close as possible to the steady-state phenotypes of wide-type strains. As this new inner problem becomes a quadratic programming problem, a novel adaptive piecewise linearization algorithm is developed in this paper to obtain the exact optimal solution to this new bi-level integer quadratic programming problem for MOMAKnock. Results Our new MOMAKnock model and the adaptive piecewise linearization solution algorithm are tested with a small E. coli core metabolic network and a large-scale iAF1260 E. coli metabolic network. The derived knockout strategies are compared with those from OptKnock. Our preliminary experimental results show that MOMAKnock can provide improved targeted productions with more robust knockout strategies. PMID:23368729

Adaptive bi-level programming for optimal gene knockouts for targeted overproduction under phenotypic constraints.

PubMed

Ren, Shaogang; Zeng, Bo; Qian, Xiaoning

2013-01-01

Optimization procedures to identify gene knockouts for targeted biochemical overproduction have been widely in use in modern metabolic engineering. Flux balance analysis (FBA) framework has provided conceptual simplifications for genome-scale dynamic analysis at steady states. Based on FBA, many current optimization methods for targeted bio-productions have been developed under the maximum cell growth assumption. The optimization problem to derive gene knockout strategies recently has been formulated as a bi-level programming problem in OptKnock for maximum targeted bio-productions with maximum growth rates. However, it has been shown that knockout mutants in fact reach the steady states with the minimization of metabolic adjustment (MOMA) from the corresponding wild-type strains instead of having maximal growth rates after genetic or metabolic intervention. In this work, we propose a new bi-level computational framework--MOMAKnock--which can derive robust knockout strategies under the MOMA flux distribution approximation. In this new bi-level optimization framework, we aim to maximize the production of targeted chemicals by identifying candidate knockout genes or reactions under phenotypic constraints approximated by the MOMA assumption. Hence, the targeted chemical production is the primary objective of MOMAKnock while the MOMA assumption is formulated as the inner problem of constraining the knockout metabolic flux to be as close as possible to the steady-state phenotypes of wide-type strains. As this new inner problem becomes a quadratic programming problem, a novel adaptive piecewise linearization algorithm is developed in this paper to obtain the exact optimal solution to this new bi-level integer quadratic programming problem for MOMAKnock. Our new MOMAKnock model and the adaptive piecewise linearization solution algorithm are tested with a small E. coli core metabolic network and a large-scale iAF1260 E. coli metabolic network. The derived knockout strategies are compared with those from OptKnock. Our preliminary experimental results show that MOMAKnock can provide improved targeted productions with more robust knockout strategies.

Algorithms of GPU-enabled reactive force field (ReaxFF) molecular dynamics.

PubMed

Zheng, Mo; Li, Xiaoxia; Guo, Li

2013-04-01

Reactive force field (ReaxFF), a recent and novel bond order potential, allows for reactive molecular dynamics (ReaxFF MD) simulations for modeling larger and more complex molecular systems involving chemical reactions when compared with computation intensive quantum mechanical methods. However, ReaxFF MD can be approximately 10-50 times slower than classical MD due to its explicit modeling of bond forming and breaking, the dynamic charge equilibration at each time-step, and its one order smaller time-step than the classical MD, all of which pose significant computational challenges in simulation capability to reach spatio-temporal scales of nanometers and nanoseconds. The very recent advances of graphics processing unit (GPU) provide not only highly favorable performance for GPU enabled MD programs compared with CPU implementations but also an opportunity to manage with the computing power and memory demanding nature imposed on computer hardware by ReaxFF MD. In this paper, we present the algorithms of GMD-Reax, the first GPU enabled ReaxFF MD program with significantly improved performance surpassing CPU implementations on desktop workstations. The performance of GMD-Reax has been benchmarked on a PC equipped with a NVIDIA C2050 GPU for coal pyrolysis simulation systems with atoms ranging from 1378 to 27,283. GMD-Reax achieved speedups as high as 12 times faster than Duin et al.'s FORTRAN codes in Lammps on 8 CPU cores and 6 times faster than the Lammps' C codes based on PuReMD in terms of the simulation time per time-step averaged over 100 steps. GMD-Reax could be used as a new and efficient computational tool for exploiting very complex molecular reactions via ReaxFF MD simulation on desktop workstations. Copyright © 2013 Elsevier Inc. All rights reserved.

Low-temperature protein dynamics: a simulation analysis of interprotein vibrations and the boson peak at 150 k.

PubMed

Kurkal-Siebert, Vandana; Smith, Jeremy C

2006-02-22

An understanding of low-frequency, collective protein dynamics at low temperatures can furnish valuable information on functional protein energy landscapes, on the origins of the protein glass transition and on protein-protein interactions. Here, molecular dynamics (MD) simulations and normal-mode analyses are performed on various models of crystalline myoglobin in order to characterize intra- and interprotein vibrations at 150 K. Principal component analysis of the MD trajectories indicates that the Boson peak, a broad peak in the dynamic structure factor centered at about approximately 2-2.5 meV, originates from approximately 10(2) collective, harmonic vibrations. An accurate description of the environment is found to be essential in reproducing the experimental Boson peak form and position. At lower energies other strong peaks are found in the calculated dynamic structure factor. Characterization of these peaks shows that they arise from harmonic vibrations of proteins relative to each other. These vibrations are likely to furnish valuable information on the physical nature of protein-protein interactions.

Exploiting Fast-Variables to Understand Population Dynamics and Evolution

NASA Astrophysics Data System (ADS)

Constable, George W. A.; McKane, Alan J.

2018-07-01

We describe a continuous-time modelling framework for biological population dynamics that accounts for demographic noise. In the spirit of the methodology used by statistical physicists, transitions between the states of the system are caused by individual events while the dynamics are described in terms of the time-evolution of a probability density function. In general, the application of the diffusion approximation still leaves a description that is quite complex. However, in many biological applications one or more of the processes happen slowly relative to the system's other processes, and the dynamics can be approximated as occurring within a slow low-dimensional subspace. We review these time-scale separation arguments and analyse the more simple stochastic dynamics that result in a number of cases. We stress that it is important to retain the demographic noise derived in this way, and emphasise this point by showing that it can alter the direction of selection compared to the prediction made from an analysis of the corresponding deterministic model.

Koopman operator theory: Past, present, and future

NASA Astrophysics Data System (ADS)

Brunton, Steven; Kaiser, Eurika; Kutz, Nathan

2017-11-01

Koopman operator theory has emerged as a dominant method to represent nonlinear dynamics in terms of an infinite-dimensional linear operator. The Koopman operator acts on the space of all possible measurement functions of the system state, advancing these measurements with the flow of the dynamics. A linear representation of nonlinear dynamics has tremendous potential to enable the prediction, estimation, and control of nonlinear systems with standard textbook methods developed for linear systems. Dynamic mode decomposition has become the leading data-driven method to approximate the Koopman operator, although there are still open questions and challenges around how to obtain accurate approximations for strongly nonlinear systems. This talk will provide an introductory overview of modern Koopman operator theory, reviewing the basics and describing recent theoretical and algorithmic developments. Particular emphasis will be placed on the use of data-driven Koopman theory to characterize and control high-dimensional fluid dynamic systems. This talk will also address key advances in the rapidly growing fields of machine learning and data science that are likely to drive future developments.

Exploiting Fast-Variables to Understand Population Dynamics and Evolution

NASA Astrophysics Data System (ADS)

Constable, George W. A.; McKane, Alan J.

2017-11-01

We describe a continuous-time modelling framework for biological population dynamics that accounts for demographic noise. In the spirit of the methodology used by statistical physicists, transitions between the states of the system are caused by individual events while the dynamics are described in terms of the time-evolution of a probability density function. In general, the application of the diffusion approximation still leaves a description that is quite complex. However, in many biological applications one or more of the processes happen slowly relative to the system's other processes, and the dynamics can be approximated as occurring within a slow low-dimensional subspace. We review these time-scale separation arguments and analyse the more simple stochastic dynamics that result in a number of cases. We stress that it is important to retain the demographic noise derived in this way, and emphasise this point by showing that it can alter the direction of selection compared to the prediction made from an analysis of the corresponding deterministic model.

TEAM Science Advances STEM through Experiential Learning about Karst Geology at the Ozark Underground Laboratory.

NASA Astrophysics Data System (ADS)

Haskins, M. F.; Patterson, J. D.; Ruckman, B.; Keith, N.; Aley, C.; Aley, T.

2017-12-01

Carbonate karst represents approximately 14% of the world's land area and 20-25% of the land area in the United States. Most people do not understand this three dimensional landscape because they lack direct experience with this complicated geology. For the last 50 years, Ozark Underground Laboratory (OUL), located in Protem, MO, has been a pioneer in the research of karst geology and its influence on groundwater. OUL has also provided surface and sub-surface immersion experiences to over 40,000 individuals including students, educators, and Department of Transportation officials helping those individuals better understand the challenges associated with karst. Rockhurst University has incorporated OUL field trips into their educational programming for the last 30 years, thus facilitating individual understanding of karst geology which comprises approximately 60% of the state. Technology and Educators Advancing Missouri Science (TEAM Science) is a grant-funded professional development institute offered through Rockhurst University. The institute includes an immersion experience at OUL enabling in-service teachers to better understand natural systems, the interplay between the surface, sub-surface, and cave fauna, as well as groundwater and energy dynamics of karst ecosystems. Educating elementary teachers about land formations is especially important because elementary teachers play a foundational role in developing students' interest and aptitude in STEM content areas. (Funding provided by the U.S. Department of Education's Math-Science Partnership Program through the Missouri Department of Elementary and Secondary Education.)

Nustar and Chandra Insight into the Nature of the 3-40 Kev Nuclear Emission in Ngc 253

NASA Technical Reports Server (NTRS)

Lehmer, Bret D.; Wik, Daniel R.; Hornschemeier, Ann E.; Ptak, Andrew; Antoniu, V.; Argo, M.K.; Bechtol, K.; Boggs, S.; Christensen, F.E.; Craig, W.W.;

Dynamic response of a riser under excitation of internal waves

NASA Astrophysics Data System (ADS)

Lou, Min; Yu, Chenglong; Chen, Peng

2015-12-01

In this paper, the dynamic response of a marine riser under excitation of internal waves is studied. With the linear approximation, the governing equation of internal waves is given. Based on the rigid-lid boundary condition assumption, the equation is solved by Thompson-Haskell method. Thus the velocity field of internal waves is obtained by the continuity equation. Combined with the modified Morison formula, using finite element method, the motion equation of riser is solved in time domain with Newmark-β method. The computation programs are compiled to solve the differential equations in time domain. Then we get the numerical results, including riser displacement and transfiguration. It is observed that the internal wave will result in circular shear flow, and the first two modes have a dominant effect on dynamic response of the marine riser. In the high mode, the response diminishes rapidly. In different modes of internal waves, the deformation of riser has different shapes, and the location of maximum displacement shifts. Studies on wave parameters indicate that the wave amplitude plays a considerable role in response displacement of riser, while the wave frequency contributes little. Nevertheless, the internal waves of high wave frequency will lead to a high-frequency oscillation of riser; it possibly gives rise to fatigue crack extension and partial fatigue failure.

ALEGRA -- A massively parallel h-adaptive code for solid dynamics

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

Summers, R.M.; Wong, M.K.; Boucheron, E.A.

1997-12-31

ALEGRA is a multi-material, arbitrary-Lagrangian-Eulerian (ALE) code for solid dynamics designed to run on massively parallel (MP) computers. It combines the features of modern Eulerian shock codes, such as CTH, with modern Lagrangian structural analysis codes using an unstructured grid. ALEGRA is being developed for use on the teraflop supercomputers to conduct advanced three-dimensional (3D) simulations of shock phenomena important to a variety of systems. ALEGRA was designed with the Single Program Multiple Data (SPMD) paradigm, in which the mesh is decomposed into sub-meshes so that each processor gets a single sub-mesh with approximately the same number of elements. Usingmore » this approach the authors have been able to produce a single code that can scale from one processor to thousands of processors. A current major effort is to develop efficient, high precision simulation capabilities for ALEGRA, without the computational cost of using a global highly resolved mesh, through flexible, robust h-adaptivity of finite elements. H-adaptivity is the dynamic refinement of the mesh by subdividing elements, thus changing the characteristic element size and reducing numerical error. The authors are working on several major technical challenges that must be met to make effective use of HAMMER on MP computers.« less

Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations

PubMed Central

2012-01-01

Implicit solvation is a mean force approach to model solvent forces acting on a solute molecule. It is frequently used in molecular simulations to reduce the computational cost of solvent treatment. In the first instance, the free energy of solvation and the associated solvent–solute forces can be approximated by a function of the solvent-accessible surface area (SASA) of the solute and differentiated by an atom–specific solvation parameter σiSASA. A procedure for the determination of values for the σiSASA parameters through matching of explicit and implicit solvation forces is proposed. Using the results of Molecular Dynamics simulations of 188 topologically diverse protein structures in water and in implicit solvent, values for the σiSASA parameters for atom types i of the standard amino acids in the GROMOS force field have been determined. A simplified representation based on groups of atom types σgSASA was obtained via partitioning of the atom–type σiSASA distributions by dynamic programming. Three groups of atom types with well separated parameter ranges were obtained, and their performance in implicit versus explicit simulations was assessed. The solvent forces are available at http://mathbio.nimr.mrc.ac.uk/wiki/Solvent_Forces. PMID:23180979

Transient Performance of a Vertical Axis Wind Turbine

NASA Astrophysics Data System (ADS)

Onol, Aykut; Yesilyurt, Serhat

2016-11-01

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

Fluid dynamics computer programs for NERVA turbopump

NASA Technical Reports Server (NTRS)

Brunner, J. J.

1972-01-01

During the design of the NERVA turbopump, numerous computer programs were developed for the analyses of fluid dynamic problems within the machine. Program descriptions, example cases, users instructions, and listings for the majority of these programs are presented.

Reduced linear noise approximation for biochemical reaction networks with time-scale separation: The stochastic tQSSA+

NASA Astrophysics Data System (ADS)

Herath, Narmada; Del Vecchio, Domitilla

2018-03-01

Biochemical reaction networks often involve reactions that take place on different time scales, giving rise to "slow" and "fast" system variables. This property is widely used in the analysis of systems to obtain dynamical models with reduced dimensions. In this paper, we consider stochastic dynamics of biochemical reaction networks modeled using the Linear Noise Approximation (LNA). Under time-scale separation conditions, we obtain a reduced-order LNA that approximates both the slow and fast variables in the system. We mathematically prove that the first and second moments of this reduced-order model converge to those of the full system as the time-scale separation becomes large. These mathematical results, in particular, provide a rigorous justification to the accuracy of LNA models derived using the stochastic total quasi-steady state approximation (tQSSA). Since, in contrast to the stochastic tQSSA, our reduced-order model also provides approximations for the fast variable stochastic properties, we term our method the "stochastic tQSSA+". Finally, we demonstrate the application of our approach on two biochemical network motifs found in gene-regulatory and signal transduction networks.

A digital computer program for the dynamic interaction simulation of controls and structure (DISCOS), volume 1

NASA Technical Reports Server (NTRS)

Bodley, C. S.; Devers, A. D.; Park, A. C.; Frisch, H. P.

1978-01-01

A theoretical development and associated digital computer program system for the dynamic simulation and stability analysis of passive and actively controlled spacecraft are presented. The dynamic system (spacecraft) is modeled as an assembly of rigid and/or flexible bodies not necessarily in a topological tree configuration. The computer program system is used to investigate total system dynamic characteristics, including interaction effects between rigid and/or flexible bodies, control systems, and a wide range of environmental loadings. In addition, the program system is used for designing attitude control systems and for evaluating total dynamic system performance, including time domain response and frequency domain stability analyses.

A Cross-Validation Approach to Approximate Basis Function Selection of the Stall Flutter Response of a Rectangular Wing in a Wind Tunnel

NASA Technical Reports Server (NTRS)

Kukreja, Sunil L.; Vio, Gareth A.; Andrianne, Thomas; azak, Norizham Abudl; Dimitriadis, Grigorios

2012-01-01

The stall flutter response of a rectangular wing in a low speed wind tunnel is modelled using a nonlinear difference equation description. Static and dynamic tests are used to select a suitable model structure and basis function. Bifurcation criteria such as the Hopf condition and vibration amplitude variation with airspeed were used to ensure the model was representative of experimentally measured stall flutter phenomena. Dynamic test data were used to estimate model parameters and estimate an approximate basis function.

Mapping continental-scale biomass burning and smoke palls from the space shuttle

NASA Technical Reports Server (NTRS)

Lulla, Kamlesh; Helfert, Michael

1992-01-01

Space shuttle photographs have been used to map the areal extent of Amazonian smoke palls associated with biomass burning. Areas covered with smoke have increased from approximately 300,000 sq km to continental-size smoke palls of approximately 3,000,000 sq km. The smoke palls interpreted from the STS-48 data indicate that this phenomenon is persistent. Astronaut observations of such dynamic and vital environmental phenomena indicate the possibility of intergrating the earth observation capabilities of all space platforms in future modeling of the earth's dynamic processes.

Program of Research in Structures and Dynamics

NASA Technical Reports Server (NTRS)

1988-01-01

The Structures and Dynamics Program was first initiated in 1972 with the following two major objectives: to provide a basic understanding and working knowledge of some key areas pertinent to structures, solid mechanics, and dynamics technology including computer aided design; and to provide a comprehensive educational and research program at the NASA Langley Research Center leading to advanced degrees in the structures and dynamics areas. During the operation of the program the research work was done in support of the activities of both the Structures and Dynamics Division and the Loads and Aeroelasticity Division. During the period of 1972 to 1986 the Program provided support for two full-time faculty members, one part-time faculty member, three postdoctoral fellows, one research engineer, eight programmers, and 28 graduate research assistants. The faculty and staff of the program have published 144 papers and reports, and made 70 presentations at national and international meetings, describing their research findings. In addition, they organized and helped in the organization of 10 workshops and national symposia in the structures and dynamics areas. The graduate research assistants and the students enrolled in the program have written 20 masters theses and 2 doctoral dissertations. The overall progress is summarized.

Bellman’s GAP—a language and compiler for dynamic programming in sequence analysis

PubMed Central

Sauthoff, Georg; Möhl, Mathias; Janssen, Stefan; Giegerich, Robert

2013-01-01

Motivation: Dynamic programming is ubiquitous in bioinformatics. Developing and implementing non-trivial dynamic programming algorithms is often error prone and tedious. Bellman’s GAP is a new programming system, designed to ease the development of bioinformatics tools based on the dynamic programming technique. Results: In Bellman’s GAP, dynamic programming algorithms are described in a declarative style by tree grammars, evaluation algebras and products formed thereof. This bypasses the design of explicit dynamic programming recurrences and yields programs that are free of subscript errors, modular and easy to modify. The declarative modules are compiled into C++ code that is competitive to carefully hand-crafted implementations. This article introduces the Bellman’s GAP system and its language, GAP-L. It then demonstrates the ease of development and the degree of re-use by creating variants of two common bioinformatics algorithms. Finally, it evaluates Bellman’s GAP as an implementation platform of ‘real-world’ bioinformatics tools. Availability: Bellman’s GAP is available under GPL license from http://bibiserv.cebitec.uni-bielefeld.de/bellmansgap. This Web site includes a repository of re-usable modules for RNA folding based on thermodynamics. Contact: robert@techfak.uni-bielefeld.de Supplementary information: Supplementary data are available at Bioinformatics online PMID:23355290

Linear and non-linear dynamic models of a geared rotor-bearing system

NASA Technical Reports Server (NTRS)

Kahraman, Ahmet; Singh, Rajendra

1990-01-01

A three degree of freedom non-linear model of a geared rotor-bearing system with gear backlash and radial clearances in rolling element bearings is proposed here. This reduced order model can be used to describe the transverse-torsional motion of the system. It is justified by comparing the eigen solutions yielded by corresponding linear model with the finite element method results. Nature of nonlinearities in bearings is examined and two approximate nonlinear stiffness functions are proposed. These approximate bearing models are verified by comparing their frequency responses with the results given by the exact form of nonlinearity. The proposed nonlinear dynamic model of the geared rotor-bearing system can be used to investigate the dynamic behavior and chaos.

A design approach for improving the performance of single-grid planar retarding potential analyzers

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

Davidson, R. L.; Earle, G. D.

2011-01-15

Planar retarding potential analyzers (RPAs) have a long flight history and have been included on numerous spaceflight missions including Dynamics Explorer, the Defense Meteorological Satellite Program, and the Communications/Navigation Outage Forecast System. RPAs allow for simultaneous measurement of plasma composition, density, temperature, and the component of the velocity vector normal to the aperture plane. Internal conductive grids are used to approximate ideal potential planes within the instrument, but these grids introduce perturbations to the potential map inside the RPA and cause errors in the measurement of the parameters listed above. A numerical technique is presented herein for minimizing these gridmore » errors for a specific mission by varying the depth and spacing of the grid wires. The example mission selected concentrates on plasma dynamics near the sunset terminator in the equatorial region. The international reference ionosphere model is used to discern the average conditions expected for this mission, and a numerical model of the grid-particle interaction is used to choose a grid design that will best fulfill the mission goals.« less

Transonic aeroelastic analysis of launch vehicle configurations. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Filgueirasdeazevedo, Joao Luiz

1988-01-01

A numerical study of the aeroelastic stability of typical launch vehicle configurations in transonic flight is performed. Recent computational fluid dynamics techniques are used to simulate the transonic aerodynamic flow fields, as opposed to relying on experimental data for the unsteady aerodynamic pressures. The flow solver is coupled to an appropriate structural representation of the vehicle. The aerodynamic formulation is based on the thin layer approximation to the Reynolds-Averaged Navier-Stokes equations, where the account for turbulent mixing is done by the two-layer Baldwin and Lomax algebraic eddy viscosity model. The structural-dynamic equations are developed considering free-free flexural vibration of an elongated beam with variable properties and are cast in modal form. Aeroelastic analyses are performed by integrating simultaneously in the two sets of equations. By tracing the growth or decay of a perturbed oscillation, the aeroelastic stability of a given constant configuration can be ascertained. The method is described in detail, and results that indicate its application are presented. Applications include some validation cases for the algorithm developed, as well as the study of configurations known to have presented flutter programs in the past.

Transient elevation of cytoplasmic calcium ion concentration at a single cell level precedes morphological changes of epidermal keratinocytes during cornification.

PubMed

Murata, Teruasa; Honda, Tetsuya; Egawa, Gyohei; Yamamoto, Yasuo; Ichijo, Ryo; Toyoshima, Fumiko; Dainichi, Teruki; Kabashima, Kenji

2018-04-26

Epidermal keratinocytes achieve sequential differentiation from basal to granular layers, and undergo a specific programmed cell death, cornification, to form an indispensable barrier of the body. Although elevation of the cytoplasmic calcium ion concentration ([Ca 2+ ] i ) is one of the factors predicted to regulate cornification, the dynamics of [Ca 2+ ] i in epidermal keratinocytes is largely unknown. Here using intravital imaging, we captured the dynamics of [Ca 2+ ] i in mouse skin. [Ca 2+ ] i was elevated in basal cells on the second time scale in three spatiotemporally distinct patterns. The transient elevation of [Ca 2+ ] i also occurred at the most apical granular layer at a single cell level, and lasted for approximately 40 min. The transient elevation of [Ca 2+ ] i at the granular layer was followed by cornification, which was completed within 10 min. This study demonstrates the tightly regulated elevation of [Ca 2+ ] i preceding the cornification of epidermal keratinocytes, providing possible clues to the mechanisms of cornification.

Data-Driven Zero-Sum Neuro-Optimal Control for a Class of Continuous-Time Unknown Nonlinear Systems With Disturbance Using ADP.

PubMed

Wei, Qinglai; Song, Ruizhuo; Yan, Pengfei

2016-02-01

This paper is concerned with a new data-driven zero-sum neuro-optimal control problem for continuous-time unknown nonlinear systems with disturbance. According to the input-output data of the nonlinear system, an effective recurrent neural network is introduced to reconstruct the dynamics of the nonlinear system. Considering the system disturbance as a control input, a two-player zero-sum optimal control problem is established. Adaptive dynamic programming (ADP) is developed to obtain the optimal control under the worst case of the disturbance. Three single-layer neural networks, including one critic and two action networks, are employed to approximate the performance index function, the optimal control law, and the disturbance, respectively, for facilitating the implementation of the ADP method. Convergence properties of the ADP method are developed to show that the system state will converge to a finite neighborhood of the equilibrium. The weight matrices of the critic and the two action networks are also convergent to finite neighborhoods of their optimal ones. Finally, the simulation results will show the effectiveness of the developed data-driven ADP methods.

PPSP: prediction of PK-specific phosphorylation site with Bayesian decision theory.

PubMed

Xue, Yu; Li, Ao; Wang, Lirong; Feng, Huanqing; Yao, Xuebiao

2006-03-20

As a reversible and dynamic post-translational modification (PTM) of proteins, phosphorylation plays essential regulatory roles in a broad spectrum of the biological processes. Although many studies have been contributed on the molecular mechanism of phosphorylation dynamics, the intrinsic feature of substrates specificity is still elusive and remains to be delineated. In this work, we present a novel, versatile and comprehensive program, PPSP (Prediction of PK-specific Phosphorylation site), deployed with approach of Bayesian decision theory (BDT). PPSP could predict the potential phosphorylation sites accurately for approximately 70 PK (Protein Kinase) groups. Compared with four existing tools Scansite, NetPhosK, KinasePhos and GPS, PPSP is more accurate and powerful than these tools. Moreover, PPSP also provides the prediction for many novel PKs, say, TRK, mTOR, SyK and MET/RON, etc. The accuracy of these novel PKs are also satisfying. Taken together, we propose that PPSP could be a potentially powerful tool for the experimentalists who are focusing on phosphorylation substrates with their PK-specific sites identification. Moreover, the BDT strategy could also be a ubiquitous approach for PTMs, such as sumoylation and ubiquitination, etc.

Use of a Computer Language in Teaching Dynamic Programming. Final Report.

ERIC Educational Resources Information Center

Trimble, C. J.; And Others

Most optimization problems of any degree of complexity must be solved using a computer. In the teaching of dynamic programing courses, it is often desirable to use a computer in problem solution. The solution process involves conceptual formulation and computational Solution. Generalized computer codes for dynamic programing problem solution…

The application of dynamic programming in production planning

NASA Astrophysics Data System (ADS)

Wu, Run

2017-05-01

Nowadays, with the popularity of the computers, various industries and fields are widely applying computer information technology, which brings about huge demand for a variety of application software. In order to develop software meeting various needs with most economical cost and best quality, programmers must design efficient algorithms. A superior algorithm can not only soul up one thing, but also maximize the benefits and generate the smallest overhead. As one of the common algorithms, dynamic programming algorithms are used to solving problems with some sort of optimal properties. When solving problems with a large amount of sub-problems that needs repetitive calculations, the ordinary sub-recursive method requires to consume exponential time, and dynamic programming algorithm can reduce the time complexity of the algorithm to the polynomial level, according to which we can conclude that dynamic programming algorithm is a very efficient compared to other algorithms reducing the computational complexity and enriching the computational results. In this paper, we expound the concept, basic elements, properties, core, solving steps and difficulties of the dynamic programming algorithm besides, establish the dynamic programming model of the production planning problem.

Finite-temperature lattice dynamics and superionic transition in ceria from first principles

NASA Astrophysics Data System (ADS)

Klarbring, Johan; Skorodumova, Natalia V.; Simak, Sergei I.

2018-03-01

Ab initio molecular dynamics (AIMD) in combination with the temperature dependent effective potential (TDEP) method has been used to go beyond the quasiharmonic approximation and study the lattice dynamics in ceria, CeO2, at finite temperature. The results indicate that the previously proposed connection between the B1 u phonon mode turning imaginary and the transition to the superionic phase in fluorite structured materials is an artifact of the failure of the quasiharmonic approximation in describing the lattice dynamics at elevated temperatures. We instead show that, in the TDEP picture, a phonon mode coupling to the Eu mode prevents the B1 u mode from becoming imaginary. We directly observe the superionic transition at high temperatures in our AIMD simulations and find that it is initiated by the formation of oxygen Frenkel pairs (FP). These FP are found to form in a collective process involving simultaneous motion of two oxygen ions.

The Equations of Oceanic Motions

NASA Astrophysics Data System (ADS)

Müller, Peter

2006-10-01

Modeling and prediction of oceanographic phenomena and climate is based on the integration of dynamic equations. The Equations of Oceanic Motions derives and systematically classifies the most common dynamic equations used in physical oceanography, from large scale thermohaline circulations to those governing small scale motions and turbulence. After establishing the basic dynamical equations that describe all oceanic motions, M|ller then derives approximate equations, emphasizing the assumptions made and physical processes eliminated. He distinguishes between geometric, thermodynamic and dynamic approximations and between the acoustic, gravity, vortical and temperature-salinity modes of motion. Basic concepts and formulae of equilibrium thermodynamics, vector and tensor calculus, curvilinear coordinate systems, and the kinematics of fluid motion and wave propagation are covered in appendices. Providing the basic theoretical background for graduate students and researchers of physical oceanography and climate science, this book will serve as both a comprehensive text and an essential reference.

Combining Density Functional Theory and Green's Function Theory: Range-Separated, Nonlocal, Dynamic, and Orbital-Dependent Hybrid Functional.

PubMed

Kananenka, Alexei A; Zgid, Dominika

2017-11-14

We present a rigorous framework which combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into short- and long-range components. Short-range contribution to the total energy and exchange-correlation potential is provided by a density functional approximation, while the long-range contribution is calculated using an explicit many-body Green's function method. Such a hybrid results in a nonlocal, dynamic, and orbital-dependent exchange-correlation functional of a single-particle Green's function. In particular, we present a range-separated hybrid functional called srSVWN5-lrGF2 which combines the local-density approximation and the second-order Green's function theory. We illustrate that similarly to density functional approximations, the new functional is weakly basis-set dependent. Furthermore, it offers an improved description of the short-range dynamic correlation. The many-body contribution to the functional mitigates the many-electron self-interaction error present in many density functional approximations and provides a better description of molecular properties. Additionally, we illustrate that the new functional can be used to scale down the self-energy and, therefore, introduce an additional sparsity to the self-energy matrix that in the future can be exploited in calculations for large molecules or periodic systems.

Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

PubMed

Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

2014-11-14

Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

How Markovian is exciton dynamics in purple bacteria?

NASA Astrophysics Data System (ADS)

Vaughan, Felix; Linden, Noah; Manby, Frederick R.

2017-03-01

We investigate the extent to which the dynamics of excitons in the light-harvesting complex LH2 of purple bacteria can be described using a Markovian approximation. To analyse the degree of non-Markovianity in these systems, we introduce a measure based on fitting Lindblad dynamics, as well as employing a recently introduced trace-distance measure. We apply these measures to a chromophore-dimer model of exciton dynamics and use the hierarchical equation-of-motion method to take into account the broad, low-frequency phonon bath. With a smooth phonon bath, small amounts of non-Markovianity are present according to the trace-distance measure, but the dynamics is poorly described by a Lindblad master equation unless the excitonic dimer coupling strength is modified. Inclusion of underdamped, high-frequency modes leads to significant deviations from Markovian evolution in both measures. In particular, we find that modes that are nearly resonant with gaps in the excitonic spectrum produce dynamics that deviate most strongly from the Lindblad approximation, despite the trace distance measuring larger amounts of non-Markovianity for higher frequency modes. Overall we find that the detailed structure in the high-frequency region of the spectral density has a significant impact on the nature of the dynamics of excitons.

Resumming the large-N approximation for time evolving quantum systems

NASA Astrophysics Data System (ADS)

Mihaila, Bogdan; Dawson, John F.; Cooper, Fred

2001-05-01

In this paper we discuss two methods of resumming the leading and next to leading order in 1/N diagrams for the quartic O(N) model. These two approaches have the property that they preserve both boundedness and positivity for expectation values of operators in our numerical simulations. These approximations can be understood either in terms of a truncation to the infinitely coupled Schwinger-Dyson hierarchy of equations, or by choosing a particular two-particle irreducible vacuum energy graph in the effective action of the Cornwall-Jackiw-Tomboulis formalism. We confine our discussion to the case of quantum mechanics where the Lagrangian is L(x,ẋ)=(12)∑Ni=1x˙2i-(g/8N)[∑Ni=1x2i- r20]2. The key to these approximations is to treat both the x propagator and the x2 propagator on similar footing which leads to a theory whose graphs have the same topology as QED with the x2 propagator playing the role of the photon. The bare vertex approximation is obtained by replacing the exact vertex function by the bare one in the exact Schwinger-Dyson equations for the one and two point functions. The second approximation, which we call the dynamic Debye screening approximation, makes the further approximation of replacing the exact x2 propagator by its value at leading order in the 1/N expansion. These two approximations are compared with exact numerical simulations for the quantum roll problem. The bare vertex approximation captures the physics at large and modest N better than the dynamic Debye screening approximation.

Microeconomic analysis of military aircraft bearing restoration

NASA Technical Reports Server (NTRS)

Hein, G. F.

1976-01-01

The risk and cost of a bearing restoration by grinding program was analyzed. A microeconomic impact analysis was performed. The annual cost savings to U.S. Army aviation is approximately $950,000.00 for three engines and three transmissions. The capital value over an indefinite life is approximately ten million dollars. The annual cost savings for U.S. Air Force engines is approximately $313,000.00 with a capital value of approximately 3.1 million dollars. The program will result in the government obtaining bearings at lower costs at equivalent reliability. The bearing industry can recover lost profits during a period of reduced demand and higher costs.

Optimal partitioning of random programs across two processors

NASA Technical Reports Server (NTRS)

Nicol, D. M.

1986-01-01

The optimal partitioning of random distributed programs is discussed. It is concluded that the optimal partitioning of a homogeneous random program over a homogeneous distributed system either assigns all modules to a single processor, or distributes the modules as evenly as possible among all processors. The analysis rests heavily on the approximation which equates the expected maximum of a set of independent random variables with the set's maximum expectation. The results are strengthened by providing an approximation-free proof of this result for two processors under general conditions on the module execution time distribution. It is also shown that use of this approximation causes two of the previous central results to be false.

Minimal-resource computer program for automatic generation of ocean wave ray or crest diagrams in shoaling waters

NASA Technical Reports Server (NTRS)

Poole, L. R.; Lecroy, S. R.; Morris, W. D.

1977-01-01

A computer program for studying linear ocean wave refraction is described. The program features random-access modular bathymetry data storage. Three bottom topography approximation techniques are available in the program which provide varying degrees of bathymetry data smoothing. Refraction diagrams are generated automatically and can be displayed graphically in three forms: Ray patterns with specified uniform deepwater ray density, ray patterns with controlled nearshore ray density, or crest patterns constructed by using a cubic polynomial to approximate crest segments between adjacent rays.

Representing and reasoning about program in situation calculus

NASA Astrophysics Data System (ADS)

Yang, Bo; Zhang, Ming-yi; Wu, Mao-nian; Xie, Gang

2011-12-01

Situation calculus is an expressive tool for modeling dynamical system in artificial intelligence, changes in a dynamical world is represented naturally by the notions of action, situation and fluent in situation calculus. Program can be viewed as a discrete dynamical system, so it is possible to model program with situation calculus. To model program written in a smaller core programming language CL, notion of fluent is expanded for representing value of expression. Together with some functions returning concerned objects from expressions, a basic action theory of CL programming is constructed. Under such a theory, some properties of program, such as correctness and termination can be reasoned about.

A Categorization of Dynamic Analyzers

NASA Technical Reports Server (NTRS)

Lujan, Michelle R.

1997-01-01

Program analysis techniques and tools are essential to the development process because of the support they provide in detecting errors and deficiencies at different phases of development. The types of information rendered through analysis includes the following: statistical measurements of code, type checks, dataflow analysis, consistency checks, test data,verification of code, and debugging information. Analyzers can be broken into two major categories: dynamic and static. Static analyzers examine programs with respect to syntax errors and structural properties., This includes gathering statistical information on program content, such as the number of lines of executable code, source lines. and cyclomatic complexity. In addition, static analyzers provide the ability to check for the consistency of programs with respect to variables. Dynamic analyzers in contrast are dependent on input and the execution of a program providing the ability to find errors that cannot be detected through the use of static analysis alone. Dynamic analysis provides information on the behavior of a program rather than on the syntax. Both types of analysis detect errors in a program, but dynamic analyzers accomplish this through run-time behavior. This paper focuses on the following broad classification of dynamic analyzers: 1) Metrics; 2) Models; and 3) Monitors. Metrics are those analyzers that provide measurement. The next category, models, captures those analyzers that present the state of the program to the user at specified points in time. The last category, monitors, checks specified code based on some criteria. The paper discusses each classification and the techniques that are included under them. In addition, the role of each technique in the software life cycle is discussed. Familiarization with the tools that measure, model and monitor programs provides a framework for understanding the program's dynamic behavior from different, perspectives through analysis of the input/output data.

On the effect of the degeneracy among dark energy parameters

NASA Astrophysics Data System (ADS)

Gong, Yungui; Gao, Qing

2014-01-01

The dynamics of scalar fields as dark energy is well approximated by some general relations between the equation of state parameter and the fractional energy density . Based on the approximation, for slowly rolling scalar fields, we derived the analytical expressions of which reduce to the popular Chevallier-Polarski-Linder parametrization with an explicit degeneracy relation between and . The models approximate the dynamics of scalar fields well and help eliminate the degeneracies among , , and . With the explicit degeneracy relations, we test their effects on the constraints of the cosmological parameters. We find that: (1) The analytical relations between and for the two models are consistent with observational data. (2) The degeneracies have little effect on . (3) The error of was reduced about 30 % with the degeneracy relations.

Consider a non-spherical elephant: computational fluid dynamics simulations of heat transfer coefficients and drag verified using wind tunnel experiments.

PubMed

Dudley, Peter N; Bonazza, Riccardo; Porter, Warren P

2013-07-01

Animal momentum and heat transfer analysis has historically used direct animal measurements or approximations to calculate drag and heat transfer coefficients. Research can now use modern 3D rendering and computational fluid dynamics software to simulate animal-fluid interactions. Key questions are the level of agreement between simulations and experiments and how superior they are to classical approximations. In this paper we compared experimental and simulated heat transfer and drag calculations on a scale model solid aluminum African elephant casting. We found good agreement between experimental and simulated data and large differences from classical approximations. We used the simulation results to calculate coefficients for heat transfer and drag of the elephant geometry. Copyright © 2013 Wiley Periodicals, Inc.

Hydraulic dynamic analysis

NASA Technical Reports Server (NTRS)

Gale, R. L.; Nease, A. W.; Nelson, D. J.

1978-01-01

Computer program mathematically describes complete hydraulic systems to study their dynamic performance. Program employs subroutines that simulate components of hydraulic system, which are then controlled by main program. Program is useful to engineers working with detailed performance results of aircraft, spacecraft, or similar hydraulic systems.

Average dynamics of a finite set of coupled phase oscillators

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

Dima, Germán C., E-mail: gdima@df.uba.ar; Mindlin, Gabriel B.

2014-06-15

We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate.

Average dynamics of a finite set of coupled phase oscillators

PubMed Central

Dima, Germán C.; Mindlin, Gabriel B.

2014-01-01

We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate. PMID:24985426

Average dynamics of a finite set of coupled phase oscillators.

PubMed

Dima, Germán C; Mindlin, Gabriel B

2014-06-01

We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate.

User's guide to the western spruce budworm modeling system

Treesearch

Nicholas L. Crookston; J. J. Colbert; Paul W. Thomas; Katharine A. Sheehan; William P. Kemp

1990-01-01

The Budworm Modeling System is a set of four computer programs: The Budworm Dynamics Model, the Prognosis-Budworm Dynamics Model, the Prognosis-Budworm Damage Model, and the Parallel Processing-Budworm Dynamics Model. Input to the first three programs and the output produced are described in this guide. A guide to the fourth program will be published separately....

Optimal Least-Squares Unidimensional Scaling: Improved Branch-and-Bound Procedures and Comparison to Dynamic Programming

ERIC Educational Resources Information Center

Brusco, Michael J.; Stahl, Stephanie

2005-01-01

There are two well-known methods for obtaining a guaranteed globally optimal solution to the problem of least-squares unidimensional scaling of a symmetric dissimilarity matrix: (a) dynamic programming, and (b) branch-and-bound. Dynamic programming is generally more efficient than branch-and-bound, but the former is limited to matrices with…

The Upper Mississippi River System—Topobathy

USGS Publications Warehouse

Stone, Jayme M.; Hanson, Jenny L.; Sattler, Stephanie R.

2017-03-23

The Upper Mississippi River System (UMRS), the navigable part of the Upper Mississippi and Illinois Rivers, is a diverse ecosystem that contains river channels, tributaries, shallow-water wetlands, backwater lakes, and flood-plain forests. Approximately 10,000 years of geologic and hydrographic history exist within the UMRS. Because it maintains crucial wildlife and fish habitats, the dynamic ecosystems of the Upper Mississippi River Basin and its tributaries are contingent on the adjacent flood plains and water-level fluctuations of the Mississippi River. Separate data for flood-plain elevation (lidar) and riverbed elevation (bathymetry) were collected on the UMRS by the U.S. Army Corps of Engineers’ (USACE) Upper Mississippi River Restoration (UMRR) Program. Using the two elevation datasets, the U.S. Geological Survey (USGS) Upper Midwest Environmental Sciences Center (UMESC) developed a systemic topobathy dataset.

Test and Analysis Correlation of High Speed Impacts of Ice Cylinders

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Boitnott, Richard L.; Kellas, Sotiris

2006-01-01

During the space shuttle return-to-flight preparations following the Columbia accident, finite element models were needed that could predict the threshold of critical damage to the orbiter s wing leading edge from ice debris impacts. Hence, an experimental program was initiated to provide crushing data from impacted ice for use in dynamic finite element material models. A high-speed drop tower was configured to capture force time-histories of ice cylinders for impacts up to approximately 100 ft/s. At low velocity, the force-time history depended heavily on the internal crystalline structure of the ice. However, for velocities of 100 ft/s and above, the ice fractured on impact, behaved more like a fluid, and the subsequent force-time history curves were much less dependent on the internal crystalline structure.

Single Pass Streaming BLAST on FPGAs*†

PubMed Central

Herbordt, Martin C.; Model, Josh; Sukhwani, Bharat; Gu, Yongfeng; VanCourt, Tom

2008-01-01

Approximate string matching is fundamental to bioinformatics and has been the subject of numerous FPGA acceleration studies. We address issues with respect to FPGA implementations of both BLAST- and dynamic-programming- (DP) based methods. Our primary contribution is a new algorithm for emulating the seeding and extension phases of BLAST. This operates in a single pass through a database at streaming rate, and with no preprocessing other than loading the query string. Moreover, it emulates parameters turned to maximum possible sensitivity with no slowdown. While current DP-based methods also operate at streaming rate, generating results can be cumbersome. We address this with a new structure for data extraction. We present results from several implementations showing order of magnitude acceleration over serial reference code. A simple extension assures compatibility with NCBI BLAST. PMID:19081828

Computational alternatives to obtain time optimal jet engine control. M.S. Thesis

NASA Technical Reports Server (NTRS)

Basso, R. J.; Leake, R. J.

1976-01-01

Two computational methods to determine an open loop time optimal control sequence for a simple single spool turbojet engine are described by a set of nonlinear differential equations. Both methods are modifications of widely accepted algorithms which can solve fixed time unconstrained optimal control problems with a free right end. Constrained problems to be considered have fixed right ends and free time. Dynamic programming is defined on a standard problem and it yields a successive approximation solution to the time optimal problem of interest. A feedback control law is obtained and it is then used to determine the corresponding open loop control sequence. The Fletcher-Reeves conjugate gradient method has been selected for adaptation to solve a nonlinear optimal control problem with state variable and control constraints.

Stress wave calculations in composite plates using the fast Fourier transform.

NASA Technical Reports Server (NTRS)

Moon, F. C.

1973-01-01

The protection of composite turbine fan blades against impact forces has prompted the study of dynamic stresses in composites due to transient loads. The mathematical model treats the laminated plate as an equivalent anisotropic material. The use of Mindlin's approximate theory of crystal plates results in five two-dimensional stress waves. Three of the waves are flexural and two involve in-plane extensional strains. The initial value problem due to a transient distributed transverse force on the plate is solved using Laplace and Fourier transforms. A fast computer program for inverting the two-dimensional Fourier transform is used. Stress contours for various stresses and times after application of load are obtained for a graphite fiber-epoxy matrix composite plate. Results indicate that the points of maximum stress travel along the fiber directions.

Fully probabilistic control design in an adaptive critic framework.

PubMed

Herzallah, Randa; Kárný, Miroslav

2011-12-01

Optimal stochastic controller pushes the closed-loop behavior as close as possible to the desired one. The fully probabilistic design (FPD) uses probabilistic description of the desired closed loop and minimizes Kullback-Leibler divergence of the closed-loop description to the desired one. Practical exploitation of the fully probabilistic design control theory continues to be hindered by the computational complexities involved in numerically solving the associated stochastic dynamic programming problem; in particular, very hard multivariate integration and an approximate interpolation of the involved multivariate functions. This paper proposes a new fully probabilistic control algorithm that uses the adaptive critic methods to circumvent the need for explicitly evaluating the optimal value function, thereby dramatically reducing computational requirements. This is a main contribution of this paper. Copyright © 2011 Elsevier Ltd. All rights reserved.

Development of Time-Distance Helioseismology Data Analysis Pipeline for SDO/HMI

NASA Technical Reports Server (NTRS)

DuVall, T. L., Jr.; Zhao, J.; Couvidat, S.; Parchevsky, K. V.; Beck, J.; Kosovichev, A. G.; Scherrer, P. H.

2008-01-01

The Helioseismic and Magnetic Imager of SDO will provide uninterrupted 4k x 4k-pixel Doppler-shift images of the Sun with approximately 40 sec cadence. These data will have a unique potential for advancing local helioseismic diagnostics of the Sun's interior structure and dynamics. They will help to understand the basic mechanisms of solar activity and develop predictive capabilities for NASA's Living with a Star program. Because of the tremendous amount of data the HMI team is developing a data analysis pipeline, which will provide maps of subsurface flows and sound-speed distributions inferred form the Doppler data by the time-distance technique. We discuss the development plan, methods, and algorithms, and present the status of the pipeline, testing results and examples of the data products.

Nonperturbative Contributions to a Resummed Leptonic Angular Distribution in Inclusive Z/γ* Boson Production

NASA Astrophysics Data System (ADS)

Guzzi, Marco; Nadolsky, Pavel M.

We summarize a new analysis of the distribution φ η * of charged leptons produced in decays of Z and γ* bosons in the Collins-Soper-Sterman (CSS) formalism for transverse momentum resummation. By comparing the φ η * distribution measured at the Tevatron with the resummed CSS cross section with approximate {O}(α s2) Wilson coefficients, we constrain the magnitude of the nonperturbative Gaussian smearing factor and analyze its uncertainty caused by variations in scale parameters. We find excellent agreement between the φ η * data and our theoretical prediction, provided by the RESBOS resummation program. The nonperturbative factor that we obtained can be used to update resummed QCD predictions for precision measurements in inclusive W and Z production and for comparisons to various models of nonperturbative dynamics.

Delving Into Dissipative Quantum Dynamics: From Approximate to Numerically Exact Approaches

NASA Astrophysics Data System (ADS)

Chen, Hsing-Ta

In this thesis, I explore dissipative quantum dynamics of several prototypical model systems via various approaches, ranging from approximate to numerically exact schemes. In particular, in the realm of the approximate I explore the accuracy of Pade-resummed master equations and the fewest switches surface hopping (FSSH) algorithm for the spin-boson model, and non-crossing approximations (NCA) for the Anderson-Holstein model. Next, I develop new and exact Monte Carlo approaches and test them on the spin-boson model. I propose well-defined criteria for assessing the accuracy of Pade-resummed quantum master equations, which correctly demarcate the regions of parameter space where the Pade approximation is reliable. I continue the investigation of spin-boson dynamics by benchmark comparisons of the semiclassical FSSH algorithm to exact dynamics over a wide range of parameters. Despite small deviations from golden-rule scaling in the Marcus regime, standard surface hopping algorithm is found to be accurate over a large portion of parameter space. The inclusion of decoherence corrections via the augmented FSSH algorithm improves the accuracy of dynamical behavior compared to exact simulations, but the effects are generally not dramatic for the cases I consider. Next, I introduce new methods for numerically exact real-time simulation based on real-time diagrammatic Quantum Monte Carlo (dQMC) and the inchworm algorithm. These methods optimally recycle Monte Carlo information from earlier times to greatly suppress the dynamical sign problem. In the context of the spin-boson model, I formulate the inchworm expansion in two distinct ways: the first with respect to an expansion in the system-bath coupling and the second as an expansion in the diabatic coupling. In addition, a cumulant version of the inchworm Monte Carlo method is motivated by the latter expansion, which allows for further suppression of the growth of the sign error. I provide a comprehensive comparison of the performance of the inchworm Monte Carlo algorithms to other exact methodologies as well as a discussion of the relative advantages and disadvantages of each. Finally, I investigate the dynamical interplay between the electron-electron interaction and the electron-phonon coupling within the Anderson-Holstein model via two complementary NCAs: the first is constructed around the weak-coupling limit and the second around the polaron limit. The influence of phonons on spectral and transport properties is explored in equilibrium, for non-equilibrium steady state and for transient dynamics after a quench. I find the two NCAs disagree in nontrivial ways, indicating that more reliable approaches to the problem are needed. The complementary frameworks used here pave the way for numerically exact methods based on inchworm dQMC algorithms capable of treating open systems simultaneously coupled to multiple fermionic and bosonic baths.

Hybrid models for chemical reaction networks: Multiscale theory and application to gene regulatory systems.

PubMed

Winkelmann, Stefanie; Schütte, Christof

2017-09-21

Well-mixed stochastic chemical kinetics are properly modeled by the chemical master equation (CME) and associated Markov jump processes in molecule number space. If the reactants are present in large amounts, however, corresponding simulations of the stochastic dynamics become computationally expensive and model reductions are demanded. The classical model reduction approach uniformly rescales the overall dynamics to obtain deterministic systems characterized by ordinary differential equations, the well-known mass action reaction rate equations. For systems with multiple scales, there exist hybrid approaches that keep parts of the system discrete while another part is approximated either using Langevin dynamics or deterministically. This paper aims at giving a coherent overview of the different hybrid approaches, focusing on their basic concepts and the relation between them. We derive a novel general description of such hybrid models that allows expressing various forms by one type of equation. We also check in how far the approaches apply to model extensions of the CME for dynamics which do not comply with the central well-mixed condition and require some spatial resolution. A simple but meaningful gene expression system with negative self-regulation is analysed to illustrate the different approximation qualities of some of the hybrid approaches discussed. Especially, we reveal the cause of error in the case of small volume approximations.

Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water

NASA Astrophysics Data System (ADS)

Habershon, Scott; Manolopoulos, David E.

2009-12-01

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid water.

PubMed

Habershon, Scott; Manolopoulos, David E

2009-12-28

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

Hybrid models for chemical reaction networks: Multiscale theory and application to gene regulatory systems

NASA Astrophysics Data System (ADS)

Winkelmann, Stefanie; Schütte, Christof

2017-09-01

Well-mixed stochastic chemical kinetics are properly modeled by the chemical master equation (CME) and associated Markov jump processes in molecule number space. If the reactants are present in large amounts, however, corresponding simulations of the stochastic dynamics become computationally expensive and model reductions are demanded. The classical model reduction approach uniformly rescales the overall dynamics to obtain deterministic systems characterized by ordinary differential equations, the well-known mass action reaction rate equations. For systems with multiple scales, there exist hybrid approaches that keep parts of the system discrete while another part is approximated either using Langevin dynamics or deterministically. This paper aims at giving a coherent overview of the different hybrid approaches, focusing on their basic concepts and the relation between them. We derive a novel general description of such hybrid models that allows expressing various forms by one type of equation. We also check in how far the approaches apply to model extensions of the CME for dynamics which do not comply with the central well-mixed condition and require some spatial resolution. A simple but meaningful gene expression system with negative self-regulation is analysed to illustrate the different approximation qualities of some of the hybrid approaches discussed. Especially, we reveal the cause of error in the case of small volume approximations.

A large-signal dynamic simulation for the series resonant converter

NASA Technical Reports Server (NTRS)

King, R. J.; Stuart, T. A.

1983-01-01

A simple nonlinear discrete-time dynamic model for the series resonant dc-dc converter is derived using approximations appropriate to most power converters. This model is useful for the dynamic simulation of a series resonant converter using only a desktop calculator. The model is compared with a laboratory converter for a large transient event.

AGFATL- ACTIVE GEAR FLEXIBLE AIRCRAFT TAKEOFF AND LANDING ANALYSIS

NASA Technical Reports Server (NTRS)

Mcgehee, J. R.

1994-01-01

The Active Gear, Flexible Aircraft Takeoff and Landing Analysis program, AGFATL, was developed to provide a complete simulation of the aircraft takeoff and landing dynamics problem. AGFATL can represent an airplane either as a rigid body with six degrees of freedom or as a flexible body with multiple degrees of freedom. The airframe flexibility is represented by the superposition of up to twenty free vibration modes on the rigid-body motions. The analysis includes maneuver logic and autopilots programmed to control the aircraft during glide slope, flare, landing, and takeoff. The program is modular so that performance of the aircraft in flight and during landing and ground maneuvers can be studied separately or in combination. A program restart capability is included in AGFATL. Effects simulated in the AGFATL program include: (1) flexible aircraft control and performance during glide slope, flare, landing roll, and takeoff roll under conditions of changing winds, engine failures, brake failures, control system failures, strut failures, restrictions due to runway length, and control variable limits and time lags; (2) landing gear loads and dynamics for up to five gears; (3) single and multiple engines (maximum of four) including selective engine reversing and failure; (4) drag chute and spoiler effects; (5) wheel braking (including skid-control) and selective brake failure; (6) aerodynamic ground effects; (7) aircraft carrier operations; (8) inclined runways and runway perturbations; (9) flexible or rigid airframes; 10) rudder and nose gear steering; and 11) actively controlled landing gear shock struts. Input to the AGFATL program includes data which describe runway roughness; vehicle geometry, flexibility and aerodynamic characteristics; landing gear(s); propulsion; and initial conditions such as attitude, attitude change rates, and velocities. AGFATL performs a time integration of the equations of motion and outputs comprehensive information on the airframe, state-of-maneuver logic, autopilots, control response, and aircraft loads from impact, runway roll-out, and ground operations. Flexible-body and total (elastic plus rigid-body) displacements, velocities, and accelerations are also output in the flexible-body option for up to twenty points on the aircraft. The AGFATL program is written in FORTRAN IV for batch execution and has been implemented on a CDC CYBER 170 series computer with an overlayed central memory requirement of approximately 141 (octal) of 60 bit words. The AGFATL program was last updated in 1984.

Space station structures and dynamics test program

NASA Technical Reports Server (NTRS)

Moore, Carleton J.; Townsend, John S.; Ivey, Edward W.

1987-01-01

The design, construction, and operation of a low-Earth orbit space station poses unique challenges for development and implementation of new technology. The technology arises from the special requirement that the station be built and constructed to function in a weightless environment, where static loads are minimal and secondary to system dynamics and control problems. One specific challenge confronting NASA is the development of a dynamics test program for: (1) defining space station design requirements, and (2) identifying the characterizing phenomena affecting the station's design and development. A general definition of the space station dynamic test program, as proposed by MSFC, forms the subject of this report. The test proposal is a comprehensive structural dynamics program to be launched in support of the space station. The test program will help to define the key issues and/or problems inherent to large space structure analysis, design, and testing. Development of a parametric data base and verification of the math models and analytical analysis tools necessary for engineering support of the station's design, construction, and operation provide the impetus for the dynamics test program. The philosophy is to integrate dynamics into the design phase through extensive ground testing and analytical ground simulations of generic systems, prototype elements, and subassemblies. On-orbit testing of the station will also be used to define its capability.

A Survey of Techniques for Approximate Computing

DOE PAGES

Mittal, Sparsh

2016-03-18

Approximate computing trades off computation quality with the effort expended and as rising performance demands confront with plateauing resource budgets, approximate computing has become, not merely attractive, but even imperative. Here, we present a survey of techniques for approximate computing (AC). We discuss strategies for finding approximable program portions and monitoring output quality, techniques for using AC in different processing units (e.g., CPU, GPU and FPGA), processor components, memory technologies etc., and programming frameworks for AC. Moreover, we classify these techniques based on several key characteristics to emphasize their similarities and differences. Finally, the aim of this paper is tomore » provide insights to researchers into working of AC techniques and inspire more efforts in this area to make AC the mainstream computing approach in future systems.« less

Neural Network Assisted Inverse Dynamic Guidance for Terminally Constrained Entry Flight

PubMed Central

Chen, Wanchun

2014-01-01

This paper presents a neural network assisted entry guidance law that is designed by applying Bézier approximation. It is shown that a fully constrained approximation of a reference trajectory can be made by using the Bézier curve. Applying this approximation, an inverse dynamic system for an entry flight is solved to generate guidance command. The guidance solution thus gotten ensures terminal constraints for position, flight path, and azimuth angle. In order to ensure terminal velocity constraint, a prediction of the terminal velocity is required, based on which, the approximated Bézier curve is adjusted. An artificial neural network is used for this prediction of the terminal velocity. The method enables faster implementation in achieving fully constrained entry flight. Results from simulations indicate improved performance of the neural network assisted method. The scheme is expected to have prospect for further research on automated onboard control of terminal velocity for both reentry and terminal guidance laws. PMID:24723821

Robust approximation-free prescribed performance control for nonlinear systems and its application

NASA Astrophysics Data System (ADS)

Sun, Ruisheng; Na, Jing; Zhu, Bin

2018-02-01

This paper presents a robust prescribed performance control approach and its application to nonlinear tail-controlled missile systems with unknown dynamics and uncertainties. The idea of prescribed performance function (PPF) is incorporated into the control design, such that both the steady-state and transient control performance can be strictly guaranteed. Unlike conventional PPF-based control methods, we further tailor a recently proposed systematic control design procedure (i.e. approximation-free control) using the transformed tracking error dynamics, which provides a proportional-like control action. Hence, the function approximators (e.g. neural networks, fuzzy systems) that are widely used to address the unknown nonlinearities in the nonlinear control designs are not needed. The proposed control design leads to a robust yet simplified function approximation-free control for nonlinear systems. The closed-loop system stability and the control error convergence are all rigorously proved. Finally, comparative simulations are conducted based on nonlinear missile systems to validate the improved response and the robustness of the proposed control method.

Online Recorded Data-Based Composite Neural Control of Strict-Feedback Systems With Application to Hypersonic Flight Dynamics.

PubMed

Xu, Bin; Yang, Daipeng; Shi, Zhongke; Pan, Yongping; Chen, Badong; Sun, Fuchun

2017-09-25

This paper investigates the online recorded data-based composite neural control of uncertain strict-feedback systems using the backstepping framework. In each step of the virtual control design, neural network (NN) is employed for uncertainty approximation. In previous works, most designs are directly toward system stability ignoring the fact how the NN is working as an approximator. In this paper, to enhance the learning ability, a novel prediction error signal is constructed to provide additional correction information for NN weight update using online recorded data. In this way, the neural approximation precision is highly improved, and the convergence speed can be faster. Furthermore, the sliding mode differentiator is employed to approximate the derivative of the virtual control signal, and thus, the complex analysis of the backstepping design can be avoided. The closed-loop stability is rigorously established, and the boundedness of the tracking error can be guaranteed. Through simulation of hypersonic flight dynamics, the proposed approach exhibits better tracking performance.

Using Medicaid/SCHIP to insure working families: the Massachusetts experience.

PubMed

Mitchell, Janet B; Osber, Deborah S

2002-01-01

Massachusetts was the first State to implement a premium subsidy program for employer-sponsored health insurance, using both Medicaid and State Children's Health Insurance Program (SCHIP) funding. The Insurance Partnership (IP) provides subsidies directly to small employers, and the Premium Assistance Program provides subsidies to their low-income employees. Approximately 3,500 small firms currently participate, most of them offering health insurance coverage for the first time. Approximately 10,000 adults and children are covered through the program, the majority of whom had been uninsured prior to enrolling. Massachusetts' successful experience with premium subsidies offers important lessons for other States wishing to implement similar programs.

Alternative approximation concepts for space frame synthesis

NASA Technical Reports Server (NTRS)

Lust, R. V.; Schmit, L. A.

1985-01-01

A structural synthesis methodology for the minimum mass design of 3-dimensionall frame-truss structures under multiple static loading conditions and subject to limits on displacements, rotations, stresses, local buckling, and element cross-sectional dimensions is presented. A variety of approximation concept options are employed to yield near optimum designs after no more than 10 structural analyses. Available options include: (A) formulation of the nonlinear mathematcal programming problem in either reciprocal section property (RSP) or cross-sectional dimension (CSD) space; (B) two alternative approximate problem structures in each design space; and (C) three distinct assumptions about element end-force variations. Fixed element, design element linking, and temporary constraint deletion features are also included. The solution of each approximate problem, in either its primal or dual form, is obtained using CONMIN, a feasible directions program. The frame-truss synthesis methodology is implemented in the COMPASS computer program and is used to solve a variety of problems. These problems were chosen so that, in addition to exercising the various approximation concepts options, the results could be compared with previously published work.

Assessing the Influence of Precipitation Variability on the Vegetation Dynamics of the Mediterranean Rangelands using NDVI and Machine Learning

NASA Astrophysics Data System (ADS)

Daliakopoulos, Ioannis; Tsanis, Ioannis

2017-04-01

Mitigating the vulnerability of Mediterranean rangelands against degradation is limited by our ability to understand and accurately characterize those impacts in space and time. The Normalized Difference Vegetation Index (NDVI) is a radiometric measure of the photosynthetically active radiation absorbed by green vegetation canopy chlorophyll and is therefore a good surrogate measure of vegetation dynamics. On the other hand, meteorological indices such as the drought assessing Standardised Precipitation Index (SPI) are can be easily estimated from historical and projected datasets at the global scale. This work investigates the potential of driving Random Forest (RF) models with meteorological indices to approximate NDVI-based vegetation dynamics. A sufficiently large number of RF models are trained using random subsets of the dataset as predictors, in a bootstrapping approach to account for the uncertainty introduced by the subset selection. The updated E-OBS-v13.1 dataset of the ENSEMBLES EU FP6 program provides observed monthly meteorological input to estimate SPI over the Mediterranean rangelands. RF models are trained to depict vegetation dynamics using the latest version (3g.v1) of the third generation GIMMS NDVI generated from NOAA's Advanced Very High Resolution Radiometer (AVHRR) sensors. Analysis is conducted for the period 1981-2015 at a gridded spatial resolution of 25 km. Preliminary results demonstrate the potential of machine learning algorithms to effectively mimic the underlying physical relationship of drought and Earth Observation vegetation indices to provide estimates based on precipitation variability.

Review of probabilistic analysis of dynamic response of systems with random parameters

NASA Technical Reports Server (NTRS)

Kozin, F.; Klosner, J. M.

1989-01-01

The various methods that have been studied in the past to allow probabilistic analysis of dynamic response for systems with random parameters are reviewed. Dynamic response may have been obtained deterministically if the variations about the nominal values were small; however, for space structures which require precise pointing, the variations about the nominal values of the structural details and of the environmental conditions are too large to be considered as negligible. These uncertainties are accounted for in terms of probability distributions about their nominal values. The quantities of concern for describing the response of the structure includes displacements, velocities, and the distributions of natural frequencies. The exact statistical characterization of the response would yield joint probability distributions for the response variables. Since the random quantities will appear as coefficients, determining the exact distributions will be difficult at best. Thus, certain approximations will have to be made. A number of techniques that are available are discussed, even in the nonlinear case. The methods that are described were: (1) Liouville's equation; (2) perturbation methods; (3) mean square approximate systems; and (4) nonlinear systems with approximation by linear systems.

Computational applications of the many-interacting-worlds interpretation of quantum mechanics.

PubMed

Sturniolo, Simone

2018-05-01

While historically many quantum-mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently a great deal of interest has arisen in quantum effects in nuclear dynamics as well. Due to the computational difficulty of solving the Schrödinger equation in full, these effects are often treated with approximate methods. In this paper, we present an algorithm to tackle these problems using an extension to the many-interacting-worlds approach to quantum mechanics. This technique uses a kernel function to rebuild the probability density, and therefore, in contrast with the approximation presented in the original paper, it can be naturally extended to n-dimensional systems. This opens up the possibility of performing quantum ground-state searches with steepest-descent methods, and it could potentially lead to real-time quantum molecular-dynamics simulations. The behavior of the algorithm is studied in different potentials and numbers of dimensions and compared both to the original approach and to exact Schrödinger equation solutions whenever possible.

Modeling delay in genetic networks: From delay birth-death processes to delay stochastic differential equations

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

Gupta, Chinmaya; López, José Manuel; Azencott, Robert

Delay is an important and ubiquitous aspect of many biochemical processes. For example, delay plays a central role in the dynamics of genetic regulatory networks as it stems from the sequential assembly of first mRNA and then protein. Genetic regulatory networks are therefore frequently modeled as stochastic birth-death processes with delay. Here, we examine the relationship between delay birth-death processes and their appropriate approximating delay chemical Langevin equations. We prove a quantitative bound on the error between the pathwise realizations of these two processes. Our results hold for both fixed delay and distributed delay. Simulations demonstrate that the delay chemicalmore » Langevin approximation is accurate even at moderate system sizes. It captures dynamical features such as the oscillatory behavior in negative feedback circuits, cross-correlations between nodes in a network, and spatial and temporal information in two commonly studied motifs of metastability in biochemical systems. Overall, these results provide a foundation for using delay stochastic differential equations to approximate the dynamics of birth-death processes with delay.« less

Dual Dynamically Orthogonal approximation of incompressible Navier Stokes equations with random boundary conditions

NASA Astrophysics Data System (ADS)

Musharbash, Eleonora; Nobile, Fabio

2018-02-01

In this paper we propose a method for the strong imposition of random Dirichlet boundary conditions in the Dynamical Low Rank (DLR) approximation of parabolic PDEs and, in particular, incompressible Navier Stokes equations. We show that the DLR variational principle can be set in the constrained manifold of all S rank random fields with a prescribed value on the boundary, expressed in low rank format, with rank smaller then S. We characterize the tangent space to the constrained manifold by means of a Dual Dynamically Orthogonal (Dual DO) formulation, in which the stochastic modes are kept orthonormal and the deterministic modes satisfy suitable boundary conditions, consistent with the original problem. The Dual DO formulation is also convenient to include the incompressibility constraint, when dealing with incompressible Navier Stokes equations. We show the performance of the proposed Dual DO approximation on two numerical test cases: the classical benchmark of a laminar flow around a cylinder with random inflow velocity, and a biomedical application for simulating blood flow in realistic carotid artery reconstructed from MRI data with random inflow conditions coming from Doppler measurements.

A user's guide to the Flexible Spacecraft Dynamics and Control Program

NASA Technical Reports Server (NTRS)

Fedor, J. V.

1984-01-01

A guide to the use of the Flexible Spacecraft Dynamics Program (FSD) is presented covering input requirements, control words, orbit generation, spacecraft description and simulation options, and output definition. The program can be used in dynamics and control analysis as well as in orbit support of deployment and control of spacecraft. The program is applicable to inertially oriented spinning, Earth oriented or gravity gradient stabilized spacecraft. Internal and external environmental effects can be simulated.

Symplectic semiclassical wave packet dynamics II: non-Gaussian states

NASA Astrophysics Data System (ADS)

Ohsawa, Tomoki

2018-05-01

We generalize our earlier work on the symplectic/Hamiltonian formulation of the dynamics of the Gaussian wave packet to non-Gaussian semiclassical wave packets. We find the symplectic forms and asymptotic expansions of the Hamiltonians associated with these semiclassical wave packets, and obtain Hamiltonian systems governing their dynamics. Numerical experiments demonstrate that the dynamics give a very good approximation to the short-time dynamics of the expectation values computed by a method based on Egorov’s theorem or the initial value representation.

User's guide for a computer program to analyze the LRC 16 ft transonic dynamics tunnel cable mount system

NASA Technical Reports Server (NTRS)

Barbero, P.; Chin, J.

1973-01-01

The theoretical derivation of the set of equations is discussed which is applicable to modeling the dynamic characteristics of aeroelastically-scaled models flown on the two-cable mount system in a 16 ft transonic dynamics tunnel. The computer program provided for the analysis is also described. The program calculates model trim conditions as well as 3 DOF longitudinal and lateral/directional dynamic conditions for various flying cable and snubber cable configurations. Sample input and output are included.

Frequency Domain Computer Programs for Prediction and Analysis of Rail Vehicle Dynamics : Volume 2. Appendixes

DOT National Transportation Integrated Search

1975-12-01

Frequency domain computer programs developed or acquired by TSC for the analysis of rail vehicle dynamics are described in two volumes. Volume 2 contains program listings including subroutines for the four TSC frequency domain programs described in V...

Effects of intracerebroventricular administration of beta-amyloid on the dynamics of learning in purebred and mongrel rats.

PubMed

Stepanov, I I; Kuznetsova, N N; Klement'ev, B I; Sapronov, N S

2007-07-01

The effects of intracerebroventricular administration of the beta-amyloid peptide fragment Abeta(25-35) on the dynamics of the acquisition of a conditioned reflex in a Y maze were studied in Wistar and mongrel rats. The dynamics of decreases in the number of errors were assessed using an exponential mathematical model describing the transfer function of a first-order system in response to stepped inputs using non-linear regression analysis. This mathematical model provided a good approximation to the learning dynamics in inbred and mongrel mice. In Wistar rats, beta-amyloid impaired learning, with reduced memory between the first and second training sessions, but without complete blockade of learning. As a result, learning dynamics were no longer approximated by the mathematical model. At the same time, comparison of the number of errors in each training sessions between the control group of Wistar rats and the group given beta-amyloid showed no significant differences (Student's t test). This result demonstrates the advantage of regression analysis based on a mathematical model over the traditionally used statistical methods. In mongrel rats, the effect of beta-amyloid was limited to an a slowing of the process of learning as compared with control mongrel rats, with retention of the approximation by the mathematical model. It is suggested that mongrel animals have some kind of innate, genetically determined protective mechanism against the harmful effects of beta-amyloid.

Accounting for Fault Roughness in Pseudo-Dynamic Ground-Motion Simulations

NASA Astrophysics Data System (ADS)

Mai, P. Martin; Galis, Martin; Thingbaijam, Kiran K. S.; Vyas, Jagdish C.; Dunham, Eric M.

2017-09-01

Geological faults comprise large-scale segmentation and small-scale roughness. These multi-scale geometrical complexities determine the dynamics of the earthquake rupture process, and therefore affect the radiated seismic wavefield. In this study, we examine how different parameterizations of fault roughness lead to variability in the rupture evolution and the resulting near-fault ground motions. Rupture incoherence naturally induced by fault roughness generates high-frequency radiation that follows an ω-2 decay in displacement amplitude spectra. Because dynamic rupture simulations are computationally expensive, we test several kinematic source approximations designed to emulate the observed dynamic behavior. When simplifying the rough-fault geometry, we find that perturbations in local moment tensor orientation are important, while perturbations in local source location are not. Thus, a planar fault can be assumed if the local strike, dip, and rake are maintained. We observe that dynamic rake angle variations are anti-correlated with the local dip angles. Testing two parameterizations of dynamically consistent Yoffe-type source-time function, we show that the seismic wavefield of the approximated kinematic ruptures well reproduces the radiated seismic waves of the complete dynamic source process. This finding opens a new avenue for an improved pseudo-dynamic source characterization that captures the effects of fault roughness on earthquake rupture evolution. By including also the correlations between kinematic source parameters, we outline a new pseudo-dynamic rupture modeling approach for broadband ground-motion simulation.

Integrated Network Decompositions and Dynamic Programming for Graph Optimization (INDDGO)

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

The INDDGO software package offers a set of tools for finding exact solutions to graph optimization problems via tree decompositions and dynamic programming algorithms. Currently the framework offers serial and parallel (distributed memory) algorithms for finding tree decompositions and solving the maximum weighted independent set problem. The parallel dynamic programming algorithm is implemented on top of the MADNESS task-based runtime.

QRAP: A numerical code for projected (Q)uasiparticle (RA)ndom (P)hase approximation

NASA Astrophysics Data System (ADS)

Samana, A. R.; Krmpotić, F.; Bertulani, C. A.

2010-06-01

A computer code for quasiparticle random phase approximation - QRPA and projected quasiparticle random phase approximation - PQRPA models of nuclear structure is explained in details. The residual interaction is approximated by a simple δ-force. An important application of the code consists in evaluating nuclear matrix elements involved in neutrino-nucleus reactions. As an example, cross sections for 56Fe and 12C are calculated and the code output is explained. The application to other nuclei and the description of other nuclear and weak decay processes are also discussed. Program summaryTitle of program: QRAP ( Quasiparticle RAndom Phase approximation) Computers: The code has been created on a PC, but also runs on UNIX or LINUX machines Operating systems: WINDOWS or UNIX Program language used: Fortran-77 Memory required to execute with typical data: 16 Mbytes of RAM memory and 2 MB of hard disk space No. of lines in distributed program, including test data, etc.: ˜ 8000 No. of bytes in distributed program, including test data, etc.: ˜ 256 kB Distribution format: tar.gz Nature of physical problem: The program calculates neutrino- and antineutrino-nucleus cross sections as a function of the incident neutrino energy, and muon capture rates, using the QRPA or PQRPA as nuclear structure models. Method of solution: The QRPA, or PQRPA, equations are solved in a self-consistent way for even-even nuclei. The nuclear matrix elements for the neutrino-nucleus interaction are treated as the beta inverse reaction of odd-odd nuclei as function of the transfer momentum. Typical running time: ≈ 5 min on a 3 GHz processor for Data set 1.

Quantum dynamics of water dissociative chemisorption on rigid Ni(111): An approximate nine-dimensional treatment

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

Jiang, Bin, E-mail: bjiangch@ustc.edu.cn, E-mail: hguo@unm.edu; Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131; Song, Hongwei

The quantum dynamics of water dissociative chemisorption on the rigid Ni(111) surface is investigated using a recently developed nine-dimensional potential energy surface. The quantum dynamical model includes explicitly seven degrees of freedom of D{sub 2}O at fixed surface sites, and the final results were obtained with a site-averaging model. The mode specificity in the site-specific results is reported and analyzed. Finally, the approximate sticking probabilities for various vibrationally excited states of D{sub 2}O are obtained considering surface lattice effects and formally all nine degrees of freedom. The comparison with experiment reveals the inaccuracy of the density functional theory and suggestsmore » the need to improve the potential energy surface.« less

ABILITIES OF FIRST-GRADE PUPILS TO LEARN MATERIALS IN TERMS OF ALGEBRAIC STRUCTURES BY TEACHING MACHINES.

ERIC Educational Resources Information Center

CRAWFORD, ROBERT C.; KEISLAR, EVAN R.

THE MAJOR PROBLEM OF THIS INVESTIGATION WAS TO DETERMINE TO WHAT EXTENT FIRST-GRADE PUPILS ARE CAPABLE OF LEARNING ALGEBRAIC STRUCTURES THROUGH PROGRAMED INSTRUCTION. IN THE EXPERIMENT APPROXIMATELY 130 FIRST-GRADERS WERE INSTRUCTED THROUGH AUDIOVISUAL TEACHING MACHINES FOR APPROXIMATELY 15 WEEKS. AT THE END OF THE PROGRAM, THE CHILDREN WERE…

Analytical Method of Approximating the Motion of a Spinning Vehicle with Variable Mass and Inertia Properties Acted Upon by Several Disturbing Parameters

NASA Technical Reports Server (NTRS)

Buglia, James J.; Young, George R.; Timmons, Jesse D.; Brinkworth, Helen S.

1961-01-01

An analytical method has been developed which approximates the dispersion of a spinning symmetrical body in a vacuum, with time-varying mass and inertia characteristics, under the action of several external disturbances-initial pitching rate, thrust misalignment, and dynamic unbalance. The ratio of the roll inertia to the pitch or yaw inertia is assumed constant. Spin was found to be very effective in reducing the dispersion due to an initial pitch rate or thrust misalignment, but was completely Ineffective in reducing the dispersion of a dynamically unbalanced body.

Robust inverse kinematics using damped least squares with dynamic weighting

NASA Technical Reports Server (NTRS)

Schinstock, D. E.; Faddis, T. N.; Greenway, R. B.

1994-01-01

This paper presents a general method for calculating the inverse kinematics with singularity and joint limit robustness for both redundant and non-redundant serial-link manipulators. Damped least squares inverse of the Jacobian is used with dynamic weighting matrices in approximating the solution. This reduces specific joint differential vectors. The algorithm gives an exact solution away from the singularities and joint limits, and an approximate solution at or near the singularities and/or joint limits. The procedure is here implemented for a six d.o.f. teleoperator and a well behaved slave manipulator resulted under teleoperational control.

Toward a generalized theory of epidemic awareness in social networks

NASA Astrophysics Data System (ADS)

Wu, Qingchu; Zhu, Wenfang

We discuss the dynamics of a susceptible-infected-susceptible (SIS) model with local awareness in networks. Individual awareness to the infectious disease is characterized by a general function of epidemic information in its neighborhood. We build a high-accuracy approximate equation governing the spreading dynamics and derive an approximate epidemic threshold above which the epidemic spreads over the whole network. Our results extend the previous work and show that the epidemic threshold is dependent on the awareness function in terms of one infectious neighbor. Interestingly, when a pow-law awareness function is chosen, the epidemic threshold can emerge in infinite networks.

Theoretical study of thermodynamic properties and reaction rates of importance in the high-speed research program

NASA Technical Reports Server (NTRS)

Langhoff, Stephen; Bauschlicher, Charles; Jaffe, Richard

1992-01-01

One of the primary goals of NASA's high-speed research program is to determine the feasibility of designing an environmentally safe commercial supersonic transport airplane. The largest environmental concern is focused on the amount of ozone destroying nitrogen oxides (NO(x)) that would be injected into the lower stratosphere during the cruise portion of the flight. The limitations placed on NO(x) emission require more than an order of magnitude reduction over current engine designs. To develop strategies to meet this goal requires first gaining a fundamental understanding of the combustion chemistry. To accurately model the combustor requires a computational fluid dynamics approach that includes both turbulence and chemistry. Since many of the important chemical processes in this regime involve highly reactive radicals, an experimental determination of the required thermodynamic data and rate constants is often very difficult. Unlike experimental approaches, theoretical methods are as applicable to highly reactive species as stable ones. Also our approximation of treating the dynamics classically becomes more accurate with increasing temperature. In this article we review recent progress in generating thermodynamic properties and rate constants that are required to understand NO(x) formation in the combustion process. We also describe our one-dimensional modeling efforts to validate an NH3 combustion reaction mechanism. We have been working in collaboration with researchers at LeRC, to ensure that our theoretical work is focused on the most important thermodynamic quantities and rate constants required in the chemical data base.

As-built design specification for PARHIS

NASA Technical Reports Server (NTRS)

Tompkins, M. A. (Principal Investigator)

1981-01-01

The program is part of the CLASFYG package. It produces histograms of the greeness profile derived parameters alpha, beta, t sub o, and chi squared, which are computed by the CLASFYG program. Alpha is the approximate greeness rise time, beta is the approximate greeness decay time, t sub o is the spectral crop emergence date, and chi squared per degree of freedom is the goodness of fit of the actual data to the computed greeness profile. The program also produces statistical information concerning the parameters.

The First Four Years: A Synopsis of the Global Effort. Department of Defense HIV/AIDS Prevention Program (DHAPP)

DTIC Science & Technology

2005-06-01

prevalence esti- mates of approximately 2% in the general population. The Benin Armed Forces (BAF) is composed of approximately 7500 mem - bers, and HIV...Campaigns DHAPP funding sponsored 2 public awareness events for the BAF mem - bers who were deploying to Côte d’Ivoire. Additionally, 38 public awareness...and training programs for service mem - bers, establishing a counseling and testing (CT) program, and improved HIV surveillance and treatment. The

Segmentation of the ovine lung in 3D CT Images

NASA Astrophysics Data System (ADS)

Shi, Lijun; Hoffman, Eric A.; Reinhardt, Joseph M.

2004-04-01

Pulmonary CT images can provide detailed information about the regional structure and function of the respiratory system. Prior to any of these analyses, however, the lungs must be identified in the CT data sets. A popular animal model for understanding lung physiology and pathophysiology is the sheep. In this paper we describe a lung segmentation algorithm for CT images of sheep. The algorithm has two main steps. The first step is lung extraction, which identifies the lung region using a technique based on optimal thresholding and connected components analysis. The second step is lung separation, which separates the left lung from the right lung by identifying the central fissure using an anatomy-based method incorporating dynamic programming and a line filter algorithm. The lung segmentation algorithm has been validated by comparing our automatic method to manual analysis for five pulmonary CT datasets. The RMS error between the computer-defined and manually-traced boundary is 0.96 mm. The segmentation requires approximately 10 minutes for a 512x512x400 dataset on a PC workstation (2.40 GHZ CPU, 2.0 GB RAM), while it takes human observer approximately two hours to accomplish the same task.

Reinforcement learning controller design for affine nonlinear discrete-time systems using online approximators.

PubMed

Yang, Qinmin; Jagannathan, Sarangapani

2012-04-01

In this paper, reinforcement learning state- and output-feedback-based adaptive critic controller designs are proposed by using the online approximators (OLAs) for a general multi-input and multioutput affine unknown nonlinear discretetime systems in the presence of bounded disturbances. The proposed controller design has two entities, an action network that is designed to produce optimal signal and a critic network that evaluates the performance of the action network. The critic estimates the cost-to-go function which is tuned online using recursive equations derived from heuristic dynamic programming. Here, neural networks (NNs) are used both for the action and critic whereas any OLAs, such as radial basis functions, splines, fuzzy logic, etc., can be utilized. For the output-feedback counterpart, an additional NN is designated as the observer to estimate the unavailable system states, and thus, separation principle is not required. The NN weight tuning laws for the controller schemes are also derived while ensuring uniform ultimate boundedness of the closed-loop system using Lyapunov theory. Finally, the effectiveness of the two controllers is tested in simulation on a pendulum balancing system and a two-link robotic arm system.

Minimal norm constrained interpolation. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Irvine, L. D.

1985-01-01

In computational fluid dynamics and in CAD/CAM, a physical boundary is usually known only discreetly and most often must be approximated. An acceptable approximation preserves the salient features of the data such as convexity and concavity. In this dissertation, a smooth interpolant which is locally concave where the data are concave and is locally convex where the data are convex is described. The interpolant is found by posing and solving a minimization problem whose solution is a piecewise cubic polynomial. The problem is solved indirectly by using the Peano Kernal theorem to recast it into an equivalent minimization problem having the second derivative of the interpolant as the solution. This approach leads to the solution of a nonlinear system of equations. It is shown that Newton's method is an exceptionally attractive and efficient method for solving the nonlinear system of equations. Examples of shape-preserving interpolants, as well as convergence results obtained by using Newton's method are also shown. A FORTRAN program to compute these interpolants is listed. The problem of computing the interpolant of minimal norm from a convex cone in a normal dual space is also discussed. An extension of de Boor's work on minimal norm unconstrained interpolation is presented.

Real-time approximate optimal guidance laws for the advanced launch system

NASA Technical Reports Server (NTRS)

Speyer, Jason L.; Feeley, Timothy; Hull, David G.

1989-01-01

An approach to optimal ascent guidance for a launch vehicle is developed using an expansion technique. The problem is to maximize the payload put into orbit subject to the equations of motion of a rocket over a rotating spherical earth. It is assumed that the thrust and gravitational forces dominate over the aerodynamic forces. It is shown that these forces can be separated by a small parameter epsilon, where epsilon is the ratio of the atmospheric scale height to the radius of the earth. The Hamilton-Jacobi-Bellman or dynamic programming equation is expanded in a series where the zeroth-order term (epsilon = 0) can be obtained in closed form. The zeroth-order problem is that of putting maximum payload into orbit subject to the equations of motion of a rocket in a vacuum over a flat earth. The neglected inertial and aerodynamic terms are included in higher order terms of the expansion, which are determined from the solution of first-order linear partial differential equations requiring only quadrature integrations. These quadrature integrations can be performed rapidly, so that real-time approximate optimization can be used to construct the launch guidance law.

Subsonic flight test evaluation of a performance seeking control algorithm on an F-15 airplane

NASA Technical Reports Server (NTRS)

Gilyard, Glenn B.; Orme, John S.

1992-01-01

The subsonic flight test evaluation phase of the NASA F-15 (powered by F 100 engines) performance seeking control program was completed for single-engine operation at part- and military-power settings. The subsonic performance seeking control algorithm optimizes the quasi-steady-state performance of the propulsion system for three modes of operation. The minimum fuel flow mode minimizes fuel consumption. The minimum thrust mode maximizes thrust at military power. Decreases in thrust-specific fuel consumption of 1 to 2 percent were measured in the minimum fuel flow mode; these fuel savings are significant, especially for supersonic cruise aircraft. Decreases of up to approximately 100 degree R in fan turbine inlet temperature were measured in the minimum temperature mode. Temperature reductions of this magnitude would more than double turbine life if inlet temperature was the only life factor. Measured thrust increases of up to approximately 15 percent in the maximum thrust mode cause substantial increases in aircraft acceleration. The system dynamics of the closed-loop algorithm operation were good. The subsonic flight phase has validated the performance seeking control technology, which can significantly benefit the next generation of fighter and transport aircraft.

A Simulation Program for Dynamic Infrared (IR) Spectra

ERIC Educational Resources Information Center

Zoerb, Matthew C.; Harris, Charles B.

2013-01-01

A free program for the simulation of dynamic infrared (IR) spectra is presented. The program simulates the spectrum of two exchanging IR peaks based on simple input parameters. Larger systems can be simulated with minor modifications. The program is available as an executable program for PCs or can be run in MATLAB on any operating system. Source…

Modular interdependency in complex dynamical systems.

PubMed

Watson, Richard A; Pollack, Jordan B

2005-01-01

Herbert A. Simon's characterization of modularity in dynamical systems describes subsystems as having dynamics that are approximately independent of those of other subsystems (in the short term). This fits with the general intuition that modules must, by definition, be approximately independent. In the evolution of complex systems, such modularity may enable subsystems to be modified and adapted independently of other subsystems, whereas in a nonmodular system, modifications to one part of the system may result in deleterious side effects elsewhere in the system. But this notion of modularity and its effect on evolvability is not well quantified and is rather simplistic. In particular, modularity need not imply that intermodule dependences are weak or unimportant. In dynamical systems this is acknowledged by Simon's suggestion that, in the long term, the dynamical behaviors of subsystems do interact with one another, albeit in an "aggregate" manner--but this kind of intermodule interaction is omitted in models of modularity for evolvability. In this brief discussion we seek to unify notions of modularity in dynamical systems with notions of how modularity affects evolvability. This leads to a quantifiable measure of modularity and a different understanding of its effect on evolvability.

Total-energy Assisted Tight-binding Method Based on Local Density Approximation of Density Functional Theory

NASA Astrophysics Data System (ADS)

Fujiwara, Takeo; Nishino, Shinya; Yamamoto, Susumu; Suzuki, Takashi; Ikeda, Minoru; Ohtani, Yasuaki

2018-06-01

A novel tight-binding method is developed, based on the extended Hückel approximation and charge self-consistency, with referring the band structure and the total energy of the local density approximation of the density functional theory. The parameters are so adjusted by computer that the result reproduces the band structure and the total energy, and the algorithm for determining parameters is established. The set of determined parameters is applicable to a variety of crystalline compounds and change of lattice constants, and, in other words, it is transferable. Examples are demonstrated for Si crystals of several crystalline structures varying lattice constants. Since the set of parameters is transferable, the present tight-binding method may be applicable also to molecular dynamics simulations of large-scale systems and long-time dynamical processes.

The status of PhD education in economic, social, and administrative sciences between 2005 and 2008.

PubMed

Farley, Joel F; Wang, Chi-Chuan; Blalock, Susan J

2010-09-10

To describe the funding, education, enrollment, and graduation patterns from economic, social, and administrative sciences PhD programs in colleges and schools of pharmacy in the United States. Economic, social, and administrative sciences PhD programs were identified from the American Association of Colleges of Pharmacy (AACP) Web site. A 41-item online survey instrument was sent to the director of graduate studies of each identified program. Only programs offering a PhD degree were included in the study. Of the 26 programs surveyed, 20 (77%) provided useable responses to the survey instrument. Approximately 91% of PhD programs guarantee funding to incoming students with an average commitment of 2.9 years. On average, students were paid a stipend of $18,000 per year for commitments to research and teaching assistantships, each averaging approximately 2 years in length. Programs admitted an average of 3.5 students per year and graduated approximately 85% of entering students. The majority of students are non-US citizens and accept positions in either academic or industrial positions after graduation. Most economic, social, and administrative sciences PhD programs guarantee funding to incoming PhD candidates. Programs offering funding packages significantly below the average may be at a competitive disadvantage. It is unclear whether the number of students graduating from PhD programs is adequate to fulfill academic and industrial needs.

Some effects of sleep deprivation on tracking performance in static and dynamic environments.

DOT National Transportation Integrated Search

1976-01-01

The influence of approximately 34 and 55 h of sleep deprivation on performance scores derived from manually tracking the localizer needle on an aircraft instrument was assessed under both static (no motion) and dynamic (whole-body angular acceleratio...

Randomized Dynamic Mode Decomposition

NASA Astrophysics Data System (ADS)

Erichson, N. Benjamin; Brunton, Steven L.; Kutz, J. Nathan

2017-11-01

The dynamic mode decomposition (DMD) is an equation-free, data-driven matrix decomposition that is capable of providing accurate reconstructions of spatio-temporal coherent structures arising in dynamical systems. We present randomized algorithms to compute the near-optimal low-rank dynamic mode decomposition for massive datasets. Randomized algorithms are simple, accurate and able to ease the computational challenges arising with `big data'. Moreover, randomized algorithms are amenable to modern parallel and distributed computing. The idea is to derive a smaller matrix from the high-dimensional input data matrix using randomness as a computational strategy. Then, the dynamic modes and eigenvalues are accurately learned from this smaller representation of the data, whereby the approximation quality can be controlled via oversampling and power iterations. Here, we present randomized DMD algorithms that are categorized by how many passes the algorithm takes through the data. Specifically, the single-pass randomized DMD does not require data to be stored for subsequent passes. Thus, it is possible to approximately decompose massive fluid flows (stored out of core memory, or not stored at all) using single-pass algorithms, which is infeasible with traditional DMD algorithms.

DYNGEN: A program for calculating steady-state and transient performance of turbojet and turbofan engines

NASA Technical Reports Server (NTRS)

Sellers, J. F.; Daniele, C. J.

1975-01-01

The DYNGEN, a digital computer program for analyzing the steady state and transient performance of turbojet and turbofan engines, is described. The DYNGEN is based on earlier computer codes (SMOTE, GENENG, and GENENG 2) which are capable of calculating the steady state performance of turbojet and turbofan engines at design and off-design operating conditions. The DYNGEN has the combined capabilities of GENENG and GENENG 2 for calculating steady state performance; to these the further capability for calculating transient performance was added. The DYNGEN can be used to analyze one- and two-spool turbojet engines or two- and three-spool turbofan engines without modification to the basic program. A modified Euler method is used by DYNGEN to solve the differential equations which model the dynamics of the engine. This new method frees the programmer from having to minimize the number of equations which require iterative solution. As a result, some of the approximations normally used in transient engine simulations can be eliminated. This tends to produce better agreement when answers are compared with those from purely steady state simulations. The modified Euler method also permits the user to specify large time steps (about 0.10 sec) to be used in the solution of the differential equations. This saves computer execution time when long transients are run. Examples of the use of the program are included, and program results are compared with those from an existing hybrid-computer simulation of a two-spool turbofan.

The Dynamics of Language Program Direction. Issues in Language Program Direction: A Series of Annual Volumes.

ERIC Educational Resources Information Center

Benseler, David P., Ed.

This collection papers begins with "Introduction: The Dynamics of Successful Leadership in Foreign Language Programs," then features the following: "The Undergraduate Program: Autonomy and Empowerment" (Wilga M. Rivers); "TA Supervision: Are We Preparing a Future Professoriate?" (Cathy Pons); "Applied Scholarship…

Growth and insulin dynamics in two generations of female offspring of mothers receiving a single course of synthetic glucocorticoids

PubMed Central

Long, Nathan M.; Shasa, Desiree R.; Ford, Stephen P.; Nathanielsz, Peter W.

2013-01-01

OBJECTIVE Synthetic glucocorticoid administration to women threatening preterm delivery increases neonatal survival. However, mounting evidence shows that fetal exposure to glucocorticoid levels higher than appropriate for current maturation adversely programs offspring development. We examined fetal synthetic glucocorticoid multigenerational metabolic effects on F1 and F2 female offspring. STUDY DESIGN At 0.7 gestation, pregnant F0 ewes received 4 injections of dexamethasone (2 mg, approximately 60 ug.kg−1 day−1 12 hours apart) or saline (control). F1 female offspring were bred to produce F2 female offspring. Postpubertal pancreatic β-cell function was tested in F1 and F2 by intravenous glucose tolerance test. RESULTS F1 and F2 ewe lambs showed reduced birthweight and morphometrics, and similar increased fasting glucose and decreased intravenous glucose tolerance test β-cell response. CONCLUSION This is the first demonstration of multigenerational programming of later life β-cell response by clinically relevant doses of synthetic glucocorticoid indicating the need for study of long-term effects of fetal exposure to synthetic glucocorticoid. PMID:22939726