Concurrent extensions to the FORTRAN language for parallel programming of computational fluid dynamics algorithms

NASA Technical Reports Server (NTRS)

Weeks, Cindy Lou

1986-01-01

Experiments were conducted at NASA Ames Research Center to define multi-tasking software requirements for multiple-instruction, multiple-data stream (MIMD) computer architectures. The focus was on specifying solutions for algorithms in the field of computational fluid dynamics (CFD). The program objectives were to allow researchers to produce usable parallel application software as soon as possible after acquiring MIMD computer equipment, to provide researchers with an easy-to-learn and easy-to-use parallel software language which could be implemented on several different MIMD machines, and to enable researchers to list preferred design specifications for future MIMD computer architectures. Analysis of CFD algorithms indicated that extensions of an existing programming language, adaptable to new computer architectures, provided the best solution to meeting program objectives. The CoFORTRAN Language was written in response to these objectives and to provide researchers a means to experiment with parallel software solutions to CFD algorithms on machines with parallel architectures.

Parallel solution of sparse one-dimensional dynamic programming problems

NASA Technical Reports Server (NTRS)

Nicol, David M.

1989-01-01

Parallel computation offers the potential for quickly solving large computational problems. However, it is often a non-trivial task to effectively use parallel computers. Solution methods must sometimes be reformulated to exploit parallelism; the reformulations are often more complex than their slower serial counterparts. We illustrate these points by studying the parallelization of sparse one-dimensional dynamic programming problems, those which do not obviously admit substantial parallelization. We propose a new method for parallelizing such problems, develop analytic models which help us to identify problems which parallelize well, and compare the performance of our algorithm with existing algorithms on a multiprocessor.

The role of computerized symbolic manipulation in rotorcraft dynamics analysis

NASA Technical Reports Server (NTRS)

Crespo Da Silva, Marcelo R. M.; Hodges, Dewey H.

1986-01-01

The potential role of symbolic manipulation programs in development and solution of the governing equations for rotorcraft dynamics problems is discussed and illustrated. Nonlinear equations of motion for a helicopter rotor blade represented by a rotating beam are developed making use of the computerized symbolic manipulation program MACSYMA. The use of computerized symbolic manipulation allows the analyst to concentrate on more meaningful tasks, such as establishment of physical assumptions, without being sidetracked by the tedious and trivial details of the algebraic manipulations. Furthermore, the resulting equations can be produced, if necessary, in a format suitable for numerical solution. A perturbation-type solution for the resulting dynamical equations is shown to be possible with a combination of symbolic manipulation and standard numerical techniques. This should ultimately lead to a greater physical understanding of the behavior of the solution than is possible with purely numerical techniques. The perturbation analysis of the flapping motion of a rigid rotor blade in forward flight is presented, for illustrative purposes, via computerized symbolic manipulation with a method that bypasses Floquet theory.

Orion Service Module Reaction Control System Plume Impingement Analysis Using PLIMP/RAMP2

NASA Technical Reports Server (NTRS)

Wang, Xiao-Yen; Lumpkin, Forrest E., III; Gati, Frank; Yuko, James R.; Motil, Brian J.

2009-01-01

The Orion Crew Exploration Vehicle Service Module Reaction Control System engine plume impingement was computed using the plume impingement program (PLIMP). PLIMP uses the plume solution from RAMP2, which is the refined version of the reacting and multiphase program (RAMP) code. The heating rate and pressure (force and moment) on surfaces or components of the Service Module were computed. The RAMP2 solution of the flow field inside the engine and the plume was compared with those computed using GASP, a computational fluid dynamics code, showing reasonable agreement. The computed heating rate and pressure using PLIMP were compared with the Reaction Control System plume model (RPM) solution and the plume impingement dynamics (PIDYN) solution. RPM uses the GASP-based plume solution, whereas PIDYN uses the SCARF plume solution. Three sets of the heating rate and pressure solutions agree well. Further thermal analysis on the avionic ring of the Service Module was performed using MSC Patran/Pthermal. The obtained temperature results showed that thermal protection is necessary because of significant heating from the plume.

Convergence of the standard RLS method and UDUT factorisation of covariance matrix for solving the algebraic Riccati equation of the DLQR via heuristic approximate dynamic programming

NASA Astrophysics Data System (ADS)

Moraes Rêgo, Patrícia Helena; Viana da Fonseca Neto, João; Ferreira, Ernesto M.

2015-08-01

The main focus of this article is to present a proposal to solve, via UDUT factorisation, the convergence and numerical stability problems that are related to the covariance matrix ill-conditioning of the recursive least squares (RLS) approach for online approximations of the algebraic Riccati equation (ARE) solution associated with the discrete linear quadratic regulator (DLQR) problem formulated in the actor-critic reinforcement learning and approximate dynamic programming context. The parameterisations of the Bellman equation, utility function and dynamic system as well as the algebra of Kronecker product assemble a framework for the solution of the DLQR problem. The condition number and the positivity parameter of the covariance matrix are associated with statistical metrics for evaluating the approximation performance of the ARE solution via RLS-based estimators. The performance of RLS approximators is also evaluated in terms of consistence and polarisation when associated with reinforcement learning methods. The used methodology contemplates realisations of online designs for DLQR controllers that is evaluated in a multivariable dynamic system model.

K-TIF: a two-fluid computer program for downcomer flow dynamics. [PWR

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

Amsden, A.A.; Harlow, F.H.

1977-10-01

The K-TIF computer program has been developed for numerical solution of the time-varying dynamics of steam and water in a pressurized water reactor downcomer. The current status of physical and mathematical modeling is presented in detail. The report also contains a complete description of the numerical solution technique, a full description and listing of the computer program, instructions for its use, with a sample printout for a specific test problem. A series of calculations, performed with no change in the modeling parameters, shows consistent agreement with the experimental trends over a wide range of conditions, which gives confidence to themore » calculations as a basis for investigating the complicated physics of steam-water flows in the downcomer.« less

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.

Configuring Airspace Sectors with Approximate Dynamic Programming

NASA Technical Reports Server (NTRS)

Bloem, Michael; Gupta, Pramod

2010-01-01

In response to changing traffic and staffing conditions, supervisors dynamically configure airspace sectors by assigning them to control positions. A finite horizon airspace sector configuration problem models this supervisor decision. The problem is to select an airspace configuration at each time step while considering a workload cost, a reconfiguration cost, and a constraint on the number of control positions at each time step. Three algorithms for this problem are proposed and evaluated: a myopic heuristic, an exact dynamic programming algorithm, and a rollouts approximate dynamic programming algorithm. On problem instances from current operations with only dozens of possible configurations, an exact dynamic programming solution gives the optimal cost value. The rollouts algorithm achieves costs within 2% of optimal for these instances, on average. For larger problem instances that are representative of future operations and have thousands of possible configurations, excessive computation time prohibits the use of exact dynamic programming. On such problem instances, the rollouts algorithm reduces the cost achieved by the heuristic by more than 15% on average with an acceptable computation time.

NASA automatic system for computer program documentation, volume 2

NASA Technical Reports Server (NTRS)

Simmons, D. B.

1972-01-01

The DYNASOR 2 program is used for the dynamic nonlinear analysis of shells of revolution. The equations of motion of the shell are solved using Houbolt's numerical procedure. The displacements and stress resultants are determined for both symmetrical and asymmetrical loading conditions. Asymmetrical dynamic buckling can be investigated. Solutions can be obtained for highly nonlinear problems utilizing as many as five of the harmonics generated by SAMMSOR program. A restart capability allows the user to restart the program at a specified time. For Vol. 1, see N73-22129.

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

NASA Astrophysics Data System (ADS)

Valiev, M.; Bylaska, E. J.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Van Dam, H. J. J.; Wang, D.; Nieplocha, J.; Apra, E.; Windus, T. L.; de Jong, W. A.

2010-09-01

The latest release of NWChem delivers an open-source computational chemistry package with extensive capabilities for large scale simulations of chemical and biological systems. Utilizing a common computational framework, diverse theoretical descriptions can be used to provide the best solution for a given scientific problem. Scalable parallel implementations and modular software design enable efficient utilization of current computational architectures. This paper provides an overview of NWChem focusing primarily on the core theoretical modules provided by the code and their parallel performance. Program summaryProgram title: NWChem Catalogue identifier: AEGI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGI_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Open Source Educational Community License No. of lines in distributed program, including test data, etc.: 11 709 543 No. of bytes in distributed program, including test data, etc.: 680 696 106 Distribution format: tar.gz Programming language: Fortran 77, C Computer: all Linux based workstations and parallel supercomputers, Windows and Apple machines Operating system: Linux, OS X, Windows Has the code been vectorised or parallelized?: Code is parallelized Classification: 2.1, 2.2, 3, 7.3, 7.7, 16.1, 16.2, 16.3, 16.10, 16.13 Nature of problem: Large-scale atomistic simulations of chemical and biological systems require efficient and reliable methods for ground and excited solutions of many-electron Hamiltonian, analysis of the potential energy surface, and dynamics. Solution method: Ground and excited solutions of many-electron Hamiltonian are obtained utilizing density-functional theory, many-body perturbation approach, and coupled cluster expansion. These solutions or a combination thereof with classical descriptions are then used to analyze potential energy surface and perform dynamical simulations. Additional comments: Full documentation is provided in the distribution file. This includes an INSTALL file giving details of how to build the package. A set of test runs is provided in the examples directory. The distribution file for this program is over 90 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: Running time depends on the size of the chemical system, complexity of the method, number of cpu's and the computational task. It ranges from several seconds for serial DFT energy calculations on a few atoms to several hours for parallel coupled cluster energy calculations on tens of atoms or ab-initio molecular dynamics simulation on hundreds of atoms.

Simulation of cooperating robot manipulators on a mobile platform

NASA Technical Reports Server (NTRS)

Murphy, Steve H.; Wen, John T.; Saridis, George N.

1990-01-01

The dynamic equations of motion for two manipulators holding a common object on a freely moving mobile platform are developed. The full dynamic interactions from arms to platform and arm-tip to arm-tip are included in the formulation. The development of the closed chain dynamics allows for the use of any solution for the open topological tree of base and manipulator links. In particular, because the system has 18 degrees of freedom, recursive solutions for the dynamic simulation become more promising for efficient calculations of the motion. Simulation of the system is accomplished through a MATLAB program, and the response is visualized graphically using the SILMA Cimstation.

Solution Methods for Stochastic Dynamic Linear Programs.

DTIC Science & Technology

1980-12-01

16, No. 11, pp. 652-675, July 1970. [28] Glassey, C.R., "Dynamic linear programs for production scheduling", OR 19, pp. 45-56. 1971 . 129 Glassey, C.R...Huang, C.C., I. Vertinsky, W.T. Ziemba, ’Sharp bounds on the value of perfect information", OR 25, pp. 128-139, 1977. [37 Kall , P., ’Computational... 1971 . [701 Ziemba, W.T., *Computational algorithms for convex stochastic programs with simple recourse", OR 8, pp. 414-431, 1970. 131 UNCLASSI FIED

A NASTRAN/TREETOPS solution to a flexible, multi-body dynamics and controls problem on a UNIX workstation

NASA Technical Reports Server (NTRS)

Benavente, Javier E.; Luce, Norris R.

1989-01-01

Demands for nonlinear time history simulations of large, flexible multibody dynamic systems has created a need for efficient interfaces between finite-element modeling programs and time-history simulations. One such interface, TREEFLX, an interface between NASTRAN and TREETOPS, a nonlinear dynamics and controls time history simulation for multibody structures, is presented and demonstrated via example using the proposed Space Station Mobile Remote Manipulator System (MRMS). The ability to run all three programs (NASTRAN, TREEFLX and TREETOPS), in addition to other programs used for controller design and model reduction (such as DMATLAB and TREESEL, both described), under a UNIX Workstation environment demonstrates the flexibility engineers now have in designing, developing and testing control systems for dynamically complex systems.

Dynamic Programming for Structured Continuous Markov Decision Problems

NASA Technical Reports Server (NTRS)

Dearden, Richard; Meuleau, Nicholas; Washington, Richard; Feng, Zhengzhu

2004-01-01

We describe an approach for exploiting structure in Markov Decision Processes with continuous state variables. At each step of the dynamic programming, the state space is dynamically partitioned into regions where the value function is the same throughout the region. We first describe the algorithm for piecewise constant representations. We then extend it to piecewise linear representations, using techniques from POMDPs to represent and reason about linear surfaces efficiently. We show that for complex, structured problems, our approach exploits the natural structure so that optimal solutions can be computed efficiently.

A Distributed Dynamic Programming-Based Solution for Load Management in Smart Grids

NASA Astrophysics Data System (ADS)

Zhang, Wei; Xu, Yinliang; Li, Sisi; Zhou, MengChu; Liu, Wenxin; Xu, Ying

2018-03-01

Load management is being recognized as an important option for active user participation in the energy market. Traditional load management methods usually require a centralized powerful control center and a two-way communication network between the system operators and energy end-users. The increasing user participation in smart grids may limit their applications. In this paper, a distributed solution for load management in emerging smart grids is proposed. The load management problem is formulated as a constrained optimization problem aiming at maximizing the overall utility of users while meeting the requirement for load reduction requested by the system operator, and is solved by using a distributed dynamic programming algorithm. The algorithm is implemented via a distributed framework and thus can deliver a highly desired distributed solution. It avoids the required use of a centralized coordinator or control center, and can achieve satisfactory outcomes for load management. Simulation results with various test systems demonstrate its effectiveness.

A Novel Joint Problem of Routing, Scheduling, and Variable-Width Channel Allocation in WMNs

PubMed Central

Liu, Wan-Yu; Chou, Chun-Hung

2014-01-01

This paper investigates a novel joint problem of routing, scheduling, and channel allocation for single-radio multichannel wireless mesh networks in which multiple channel widths can be adjusted dynamically through a new software technology so that more concurrent transmissions and suppressed overlapping channel interference can be achieved. Although the previous works have studied this joint problem, their linear programming models for the problem were not incorporated with some delicate constraints. As a result, this paper first constructs a linear programming model with more practical concerns and then proposes a simulated annealing approach with a novel encoding mechanism, in which the configurations of multiple time slots are devised to characterize the dynamic transmission process. Experimental results show that our approach can find the same or similar solutions as the optimal solutions for smaller-scale problems and can efficiently find good-quality solutions for a variety of larger-scale problems. PMID:24982990

Coupled rotor/airframe vibration analysis program manual manual. Volume 1: User's and programmer's instructions

NASA Technical Reports Server (NTRS)

Cassarino, S.; Sopher, R.

1982-01-01

user instruction and software descriptions for the base program of the coupled rotor/airframe vibration analysis are provided. The functional capabilities and procedures for running the program are provided. Interfaces with external programs are discussed. The procedure of synthesizing a dynamic system and the various solution methods are described. Input data and output results are presented. Detailed information is provided on the program structure. Sample test case results for five representative dynamic configurations are provided and discussed. System response are plotted to demonstrate the plots capabilities available. Instructions to install and execute SIMVIB on the CDC computer system are provided.

An algorithm for the solution of dynamic linear programs

NASA Technical Reports Server (NTRS)

Psiaki, Mark L.

1989-01-01

The algorithm's objective is to efficiently solve Dynamic Linear Programs (DLP) by taking advantage of their special staircase structure. This algorithm constitutes a stepping stone to an improved algorithm for solving Dynamic Quadratic Programs, which, in turn, would make the nonlinear programming method of Successive Quadratic Programs more practical for solving trajectory optimization problems. The ultimate goal is to being trajectory optimization solution speeds into the realm of real-time control. The algorithm exploits the staircase nature of the large constraint matrix of the equality-constrained DLPs encountered when solving inequality-constrained DLPs by an active set approach. A numerically-stable, staircase QL factorization of the staircase constraint matrix is carried out starting from its last rows and columns. The resulting recursion is like the time-varying Riccati equation from multi-stage LQR theory. The resulting factorization increases the efficiency of all of the typical LP solution operations over that of a dense matrix LP code. At the same time numerical stability is ensured. The algorithm also takes advantage of dynamic programming ideas about the cost-to-go by relaxing active pseudo constraints in a backwards sweeping process. This further decreases the cost per update of the LP rank-1 updating procedure, although it may result in more changes of the active set that if pseudo constraints were relaxed in a non-stagewise fashion. The usual stability of closed-loop Linear/Quadratic optimally-controlled systems, if it carries over to strictly linear cost functions, implies that the saving due to reduced factor update effort may outweigh the cost of an increased number of updates. An aerospace example is presented in which a ground-to-ground rocket's distance is maximized. This example demonstrates the applicability of this class of algorithms to aerospace guidance. It also sheds light on the efficacy of the proposed pseudo constraint relaxation scheme.

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.

VASP- VARIABLE DIMENSION AUTOMATIC SYNTHESIS PROGRAM

NASA Technical Reports Server (NTRS)

White, J. S.

1994-01-01

VASP is a variable dimension Fortran version of the Automatic Synthesis Program, ASP. The program is used to implement Kalman filtering and control theory. Basically, it consists of 31 subprograms for solving most modern control problems in linear, time-variant (or time-invariant) control systems. These subprograms include operations of matrix algebra, computation of the exponential of a matrix and its convolution integral, and the solution of the matrix Riccati equation. The user calls these subprograms by means of a FORTRAN main program, and so can easily obtain solutions to most general problems of extremization of a quadratic functional of the state of the linear dynamical system. Particularly, these problems include the synthesis of the Kalman filter gains and the optimal feedback gains for minimization of a quadratic performance index. VASP, as an outgrowth of the Automatic Synthesis Program, has the following improvements: more versatile programming language; more convenient input/output format; some new subprograms which consolidate certain groups of statements that are often repeated; and variable dimensioning. The pertinent difference between the two programs is that VASP has variable dimensioning and more efficient storage. The documentation for the VASP program contains a VASP dictionary and example problems. The dictionary contains a description of each subroutine and instructions on its use. The example problems include dynamic response, optimal control gain, solution of the sampled data matrix Riccati equation, matrix decomposition, and a pseudo-inverse of a matrix. This program is written in FORTRAN IV and has been implemented on the IBM 360. The VASP program was developed in 1971.

User's Manual for Aerofcn: a FORTRAN Program to Compute Aerodynamic Parameters

NASA Technical Reports Server (NTRS)

Conley, Joseph L.

1992-01-01

The computer program AeroFcn is discussed. AeroFcn is a utility program that computes the following aerodynamic parameters: geopotential altitude, Mach number, true velocity, dynamic pressure, calibrated airspeed, equivalent airspeed, impact pressure, total pressure, total temperature, Reynolds number, speed of sound, static density, static pressure, static temperature, coefficient of dynamic viscosity, kinematic viscosity, geometric altitude, and specific energy for a standard- or a modified standard-day atmosphere using compressible flow and normal shock relations. Any two parameters that define a unique flight condition are selected, and their values are entered interactively. The remaining parameters are computed, and the solutions are stored in an output file. Multiple cases can be run, and the multiple case solutions can be stored in another output file for plotting. Parameter units, the output format, and primary constants in the atmospheric and aerodynamic equations can also be changed.

A One-Layer Recurrent Neural Network for Real-Time Portfolio Optimization With Probability Criterion.

PubMed

Liu, Qingshan; Dang, Chuangyin; Huang, Tingwen

2013-02-01

This paper presents a decision-making model described by a recurrent neural network for dynamic portfolio optimization. The portfolio-optimization problem is first converted into a constrained fractional programming problem. Since the objective function in the programming problem is not convex, the traditional optimization techniques are no longer applicable for solving this problem. Fortunately, the objective function in the fractional programming is pseudoconvex on the feasible region. It leads to a one-layer recurrent neural network modeled by means of a discontinuous dynamic system. To ensure the optimal solutions for portfolio optimization, the convergence of the proposed neural network is analyzed and proved. In fact, the neural network guarantees to get the optimal solutions for portfolio-investment advice if some mild conditions are satisfied. A numerical example with simulation results substantiates the effectiveness and illustrates the characteristics of the proposed neural network.

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.

A global station coordinate solution based upon camera and laser data - GSFC 1973

NASA Technical Reports Server (NTRS)

Marsh, J. G.; Douglas, B. C.; Klosko, S. M.

1973-01-01

Results for the geocentric coordinates of 72 globally distributed satellite tracking stations consisting of 58 cameras and 14 lasers are presented. The observational data for this solution consists of over 65,000 optical observations and more than 350 laser passes recorded during the National Geodetic Satellite Program, the 1968 Centre National d'Etudes Spatiales/Smithsonian Astrophysical Observatory (SAO) Program, and International Satellite Geodesy Experiment Program. Dynamic methods were used. The data were analyzed with the GSFC GEM and SAO 1969 Standard Earth Gravity Models. The recent value of GM = 398600.8 cu km/sec square derived at the Jet Propulsion Laboratory (JPL) gave the best results for this combination laser/optical solution. Solutions are made with the deep space solution of JPL (LS-25 solution) including results obtained at GSFC from Mariner-9 Unified B-Band tracking. Datum transformation parameters relating North America, Europe, South America, and Australia are given, enabling the positions of some 200 other tracking stations to be placed in the geocentric system.

Supercomputer optimizations for stochastic optimal control applications

NASA Technical Reports Server (NTRS)

Chung, Siu-Leung; Hanson, Floyd B.; Xu, Huihuang

1991-01-01

Supercomputer optimizations for a computational method of solving stochastic, multibody, dynamic programming problems are presented. The computational method is valid for a general class of optimal control problems that are nonlinear, multibody dynamical systems, perturbed by general Markov noise in continuous time, i.e., nonsmooth Gaussian as well as jump Poisson random white noise. Optimization techniques for vector multiprocessors or vectorizing supercomputers include advanced data structures, loop restructuring, loop collapsing, blocking, and compiler directives. These advanced computing techniques and superconducting hardware help alleviate Bellman's curse of dimensionality in dynamic programming computations, by permitting the solution of large multibody problems. Possible applications include lumped flight dynamics models for uncertain environments, such as large scale and background random aerospace fluctuations.

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.

Fuzzy physical programming for Space Manoeuvre Vehicles trajectory optimization based on hp-adaptive pseudospectral method

NASA Astrophysics Data System (ADS)

Chai, Runqi; Savvaris, Al; Tsourdos, Antonios

2016-06-01

In this paper, a fuzzy physical programming (FPP) method has been introduced for solving multi-objective Space Manoeuvre Vehicles (SMV) skip trajectory optimization problem based on hp-adaptive pseudospectral methods. The dynamic model of SMV is elaborated and then, by employing hp-adaptive pseudospectral methods, the problem has been transformed to nonlinear programming (NLP) problem. According to the mission requirements, the solutions were calculated for each single-objective scenario. To get a compromised solution for each target, the fuzzy physical programming (FPP) model is proposed. The preference function is established with considering the fuzzy factor of the system such that a proper compromised trajectory can be acquired. In addition, the NSGA-II is tested to obtain the Pareto-optimal solution set and verify the Pareto optimality of the FPP solution. Simulation results indicate that the proposed method is effective and feasible in terms of dealing with the multi-objective skip trajectory optimization for the SMV.

Dynamic analysis for solid waste management systems: an inexact multistage integer programming approach.

PubMed

Li, Yongping; Huang, Guohe

2009-03-01

In this study, a dynamic analysis approach based on an inexact multistage integer programming (IMIP) model is developed for supporting municipal solid waste (MSW) management under uncertainty. Techniques of interval-parameter programming and multistage stochastic programming are incorporated within an integer-programming framework. The developed IMIP can deal with uncertainties expressed as probability distributions and interval numbers, and can reflect the dynamics in terms of decisions for waste-flow allocation and facility-capacity expansion over a multistage context. Moreover, the IMIP can be used for analyzing various policy scenarios that are associated with different levels of economic consequences. The developed method is applied to a case study of long-term waste-management planning. The results indicate that reasonable solutions have been generated for binary and continuous variables. They can help generate desired decisions of system-capacity expansion and waste-flow allocation with a minimized system cost and maximized system reliability.

Dynamic optimization case studies in DYNOPT tool

NASA Astrophysics Data System (ADS)

Ozana, Stepan; Pies, Martin; Docekal, Tomas

2016-06-01

Dynamic programming is typically applied to optimization problems. As the analytical solutions are generally very difficult, chosen software tools are used widely. These software packages are often third-party products bound for standard simulation software tools on the market. As typical examples of such tools, TOMLAB and DYNOPT could be effectively applied for solution of problems of dynamic programming. DYNOPT will be presented in this paper due to its licensing policy (free product under GPL) and simplicity of use. DYNOPT is a set of MATLAB functions for determination of optimal control trajectory by given description of the process, the cost to be minimized, subject to equality and inequality constraints, using orthogonal collocation on finite elements method. The actual optimal control problem is solved by complete parameterization both the control and the state profile vector. It is assumed, that the optimized dynamic model may be described by a set of ordinary differential equations (ODEs) or differential-algebraic equations (DAEs). This collection of functions extends the capability of the MATLAB Optimization Tool-box. The paper will introduce use of DYNOPT in the field of dynamic optimization problems by means of case studies regarding chosen laboratory physical educational models.

Two stage gear tooth dynamics program

NASA Technical Reports Server (NTRS)

Boyd, Linda S.

1989-01-01

The epicyclic gear dynamics program was expanded to add the option of evaluating the tooth pair dynamics for two epicyclic gear stages with peripheral components. This was a practical extension to the program as multiple gear stages are often used for speed reduction, space, weight, and/or auxiliary units. The option was developed for either stage to be a basic planetary, star, single external-external mesh, or single external-internal mesh. The two stage system allows for modeling of the peripherals with an input mass and shaft, an output mass and shaft, and a connecting shaft. Execution of the initial test case indicated an instability in the solution with the tooth paid loads growing to excessive magnitudes. A procedure to trace the instability is recommended as well as a method of reducing the program's computation time by reducing the number of boundary condition iterations.

Dynamic characteristics of a variable-mass flexible missile: Dynamics of a two-stage variable-mass flexible rocket

NASA Technical Reports Server (NTRS)

Meirovitch, L.; Bankovskis, J.

1969-01-01

The dynamic characteristics of two-stage slender elastic body were investigated. The first stage, containing a solid-fuel rocket, possesses variable mass while the second stage, envisioned as a flexible case, contains packaged instruments of constant mass. The mathematical formulation was in terms of vector equations of motion transformed by a variational principle into sets of scalar differential equations in terms of generalized coordinates. Solutions to the complete equations were obtained numerically by means of finite difference techniques. The problem has been programmed in the FORTRAN 4 language and solved on an IBM 360/50 computer. Results for limited cases are presented showing the nature of the solutions.

QuTiP: An open-source Python framework for the dynamics of open quantum systems

NASA Astrophysics Data System (ADS)

Johansson, J. R.; Nation, P. D.; Nori, Franco

2012-08-01

We present an object-oriented open-source framework for solving the dynamics of open quantum systems written in Python. Arbitrary Hamiltonians, including time-dependent systems, may be built up from operators and states defined by a quantum object class, and then passed on to a choice of master equation or Monte Carlo solvers. We give an overview of the basic structure for the framework before detailing the numerical simulation of open system dynamics. Several examples are given to illustrate the build up to a complete calculation. Finally, we measure the performance of our library against that of current implementations. The framework described here is particularly well suited to the fields of quantum optics, superconducting circuit devices, nanomechanics, and trapped ions, while also being ideal for use in classroom instruction. Catalogue identifier: AEMB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 16 482 No. of bytes in distributed program, including test data, etc.: 213 438 Distribution format: tar.gz Programming language: Python Computer: i386, x86-64 Operating system: Linux, Mac OSX, Windows RAM: 2+ Gigabytes Classification: 7 External routines: NumPy (http://numpy.scipy.org/), SciPy (http://www.scipy.org/), Matplotlib (http://matplotlib.sourceforge.net/) Nature of problem: Dynamics of open quantum systems. Solution method: Numerical solutions to Lindblad master equation or Monte Carlo wave function method. Restrictions: Problems must meet the criteria for using the master equation in Lindblad form. Running time: A few seconds up to several tens of minutes, depending on size of underlying Hilbert space.

Flexible rotor dynamics analysis

NASA Technical Reports Server (NTRS)

Shen, F. A.

1973-01-01

A digital computer program was developed to analyze the general nonaxisymmetric and nonsynchronous transient and steady-state rotor dynamic performance of a bending- and shear-wise flexible rotor-bearing system under various operating conditions. The effects of rotor material mechanical hysteresis, rotor torsion flexibility, transverse effects of rotor axial and torsional loading and the anisotropic, in-phase and out-of-phase bearing stiffness and damping force and moment coefficients were included in the program to broaden its capability. An optimum solution method was found and incorporated in the computer program. Computer simulation of experimental data was made and qualitative agreements observed. The mathematical formulations, computer program verification, test data simulation, and user instruction was presented and discussed.

Runway Scheduling Using Generalized Dynamic Programming

NASA Technical Reports Server (NTRS)

Montoya, Justin; Wood, Zachary; Rathinam, Sivakumar

2011-01-01

A generalized dynamic programming method for finding a set of pareto optimal solutions for a runway scheduling problem is introduced. The algorithm generates a set of runway fight sequences that are optimal for both runway throughput and delay. Realistic time-based operational constraints are considered, including miles-in-trail separation, runway crossings, and wake vortex separation. The authors also model divergent runway takeoff operations to allow for reduced wake vortex separation. A modeled Dallas/Fort Worth International airport and three baseline heuristics are used to illustrate preliminary benefits of using the generalized dynamic programming method. Simulated traffic levels ranged from 10 aircraft to 30 aircraft with each test case spanning 15 minutes. The optimal solution shows a 40-70 percent decrease in the expected delay per aircraft over the baseline schedulers. Computational results suggest that the algorithm is promising for real-time application with an average computation time of 4.5 seconds. For even faster computation times, two heuristics are developed. As compared to the optimal, the heuristics are within 5% of the expected delay per aircraft and 1% of the expected number of runway operations per hour ad can be 100x faster.

A summary report on system effectiveness and optimization study

NASA Technical Reports Server (NTRS)

Williamson, O. L.; Rydberg, A. J.; Dorris, G.

1973-01-01

Report treats optimization and effectiveness separately. Report illustrates example of dynamic programming solution to system optimization. Computer algorithm has been developed to solve effectiveness problem and is included in report.

Summer Study Program in Geophysical Fluid Dynamics, Woods Hole Oceanographic Institution: Chaos.

DTIC Science & Technology

1985-11-01

Cleopatra, periodic solutions to Galileo and perhaps chaos to Poincar. Today we often think about dynamical systems in terms o- oincae surfaces of section...P. Berge, 1983. Phys. Rev. Lett. L51, 1446 and 2345. Nadal, J.P., B. Derrida and J. Vannimenus, 1982. J. de Phys. 43, , 1561 and V. Hakim and J.P

SPAR reference manual

NASA Technical Reports Server (NTRS)

Whetstone, W. D.

1976-01-01

The functions and operating rules of the SPAR system, which is a group of computer programs used primarily to perform stress, buckling, and vibrational analyses of linear finite element systems, were given. The following subject areas were discussed: basic information, structure definition, format system matrix processors, utility programs, static solutions, stresses, sparse matrix eigensolver, dynamic response, graphics, and substructure processors.

Computational and analytical methods in nonlinear fluid dynamics

NASA Astrophysics Data System (ADS)

Walker, James

1993-09-01

The central focus of the program was on the application and development of modern analytical and computational methods to the solution of nonlinear problems in fluid dynamics and reactive gas dynamics. The research was carried out within the Division of Engineering Mathematics in the Department of Mechanical Engineering and Mechanics and principally involved Professors P.A. Blythe, E. Varley and J.D.A. Walker. In addition. the program involved various international collaborations. Professor Blythe completed work on reactive gas dynamics with Professor D. Crighton FRS of Cambridge University in the United Kingdom. Professor Walker and his students carried out joint work with Professor F.T. Smith, of University College London, on various problems in unsteady flow and turbulent boundary layers.

BEST3D user's manual: Boundary Element Solution Technology, 3-Dimensional Version 3.0

NASA Technical Reports Server (NTRS)

1991-01-01

The theoretical basis and programming strategy utilized in the construction of the computer program BEST3D (boundary element solution technology - three dimensional) and detailed input instructions are provided for the use of the program. An extensive set of test cases and sample problems is included in the manual and is also available for distribution with the program. The BEST3D program was developed under the 3-D Inelastic Analysis Methods for Hot Section Components contract (NAS3-23697). The overall objective of this program was the development of new computer programs allowing more accurate and efficient three-dimensional thermal and stress analysis of hot section components, i.e., combustor liners, turbine blades, and turbine vanes. The BEST3D program allows both linear and nonlinear analysis of static and quasi-static elastic problems and transient dynamic analysis for elastic problems. Calculation of elastic natural frequencies and mode shapes is also provided.

Knapsack - TOPSIS Technique for Vertical Handover in Heterogeneous Wireless Network

PubMed Central

2015-01-01

In a heterogeneous wireless network, handover techniques are designed to facilitate anywhere/anytime service continuity for mobile users. Consistent best-possible access to a network with widely varying network characteristics requires seamless mobility management techniques. Hence, the vertical handover process imposes important technical challenges. Handover decisions are triggered for continuous connectivity of mobile terminals. However, bad network selection and overload conditions in the chosen network can cause fallout in the form of handover failure. In order to maintain the required Quality of Service during the handover process, decision algorithms should incorporate intelligent techniques. In this paper, a new and efficient vertical handover mechanism is implemented using a dynamic programming method from the operation research discipline. This dynamic programming approach, which is integrated with the Technique to Order Preference by Similarity to Ideal Solution (TOPSIS) method, provides the mobile user with the best handover decisions. Moreover, in this proposed handover algorithm a deterministic approach which divides the network into zones is incorporated into the network server in order to derive an optimal solution. The study revealed that this method is found to achieve better performance and QoS support to users and greatly reduce the handover failures when compared to the traditional TOPSIS method. The decision arrived at the zone gateway using this operational research analytical method (known as the dynamic programming knapsack approach together with Technique to Order Preference by Similarity to Ideal Solution) yields remarkably better results in terms of the network performance measures such as throughput and delay. PMID:26237221

Knapsack--TOPSIS Technique for Vertical Handover in Heterogeneous Wireless Network.

PubMed

Malathy, E M; Muthuswamy, Vijayalakshmi

2015-01-01

In a heterogeneous wireless network, handover techniques are designed to facilitate anywhere/anytime service continuity for mobile users. Consistent best-possible access to a network with widely varying network characteristics requires seamless mobility management techniques. Hence, the vertical handover process imposes important technical challenges. Handover decisions are triggered for continuous connectivity of mobile terminals. However, bad network selection and overload conditions in the chosen network can cause fallout in the form of handover failure. In order to maintain the required Quality of Service during the handover process, decision algorithms should incorporate intelligent techniques. In this paper, a new and efficient vertical handover mechanism is implemented using a dynamic programming method from the operation research discipline. This dynamic programming approach, which is integrated with the Technique to Order Preference by Similarity to Ideal Solution (TOPSIS) method, provides the mobile user with the best handover decisions. Moreover, in this proposed handover algorithm a deterministic approach which divides the network into zones is incorporated into the network server in order to derive an optimal solution. The study revealed that this method is found to achieve better performance and QoS support to users and greatly reduce the handover failures when compared to the traditional TOPSIS method. The decision arrived at the zone gateway using this operational research analytical method (known as the dynamic programming knapsack approach together with Technique to Order Preference by Similarity to Ideal Solution) yields remarkably better results in terms of the network performance measures such as throughput and delay.

STARS: A general-purpose finite element computer program for analysis of engineering structures

NASA Technical Reports Server (NTRS)

Gupta, K. K.

1984-01-01

STARS (Structural Analysis Routines) is primarily an interactive, graphics-oriented, finite-element computer program for analyzing the static, stability, free vibration, and dynamic responses of damped and undamped structures, including rotating systems. The element library consists of one-dimensional (1-D) line elements, two-dimensional (2-D) triangular and quadrilateral shell elements, and three-dimensional (3-D) tetrahedral and hexahedral solid elements. These elements enable the solution of structural problems that include truss, beam, space frame, plane, plate, shell, and solid structures, or any combination thereof. Zero, finite, and interdependent deflection boundary conditions can be implemented by the program. The associated dynamic response analysis capability provides for initial deformation and velocity inputs, whereas the transient excitation may be either forces or accelerations. An effective in-core or out-of-core solution strategy is automatically employed by the program, depending on the size of the problem. Data input may be at random within a data set, and the program offers certain automatic data-generation features. Input data are formatted as an optimal combination of free and fixed formats. Interactive graphics capabilities enable convenient display of nodal deformations, mode shapes, and element stresses.

On isochronous derivatives of the first and second order in space dynamics tasks

NASA Technical Reports Server (NTRS)

Bakshiyan, B. T.; Sukhanov, A. A.

1979-01-01

The first and second isochronous derivatives are calculated from the vector of state of dynamic system using its initial value. Use is made of the method of finding a fundamental solution of conjugate variational equations. This solution and the corresponding universal relationship for isochronous derivatives are found for the two-body problem in a form which is simple and suitable for computer programming. The form of these relationships was obtained for motion which differs from parabolic motion. Formulas are given for isochronous derivatives using the gravitational parameter in the two-body problem.

VizieR Online Data Catalog: SMART97, rigid Earth rotation new solution (Bretagnon+ 1998)

NASA Astrophysics Data System (ADS)

Bretagnon, P.; Francou, G.; Rocher, P.; Simon, J. L.

1998-03-01

The Earth rotation solution SMART97 (Solution du Mouvement de l'Axe de Rotation de la Terre) is an analytical solution of the Earth rotation in the rigid case. It gives the expressions of precession-nutation and rotation of the Earth for the 3 Euler angles ψ, ω, φ as well as for the quantities p, ɛ, χ, and the sidereal time. For the axis of figure (fig), these 7 quantities are given in the dynamical system (dyn) and in the kinematical system (kin). SMART97 also gives the variables ψ and ω, in the dynamical system, for the differences (axis of figure - axis of rotation) (rot) and (axis of figure - axis of the angular momentum) (ang). The accuracy of the solution is better than 2.2 microarcseconds for all these variables over 20000 days, between 1968 and 2023. A program EXAMPLE (Fortran 77) is provided which makes use of the subroutine SMART97 which substitutes the time in the series of the solutions SMART97. (18 data files).

Fluid mechanics and mass transfer in melt crystal growth: Analysis of the floating zone and vertical Bridgman processes

NASA Technical Reports Server (NTRS)

Brown, R. A.

1986-01-01

This research program focuses on analysis of the transport mechanisms in solidification processes, especially one of interest to the Microgravity Sciences and Applications Program of NASA. Research during the last year has focused on analysis of the dynamics of the floating zone process for growth of small-scale crystals, on studies of the effect of applied magnetic fields on convection and solute segregation in directional solidification, and on the dynamics of microscopic cell formation in two-dimensional solidification of binary alloys. Significant findings are given.

NASA LeRC/Akron University Graduate Cooperative Fellowship Program and Graduate Student Researchers Program

NASA Technical Reports Server (NTRS)

Fertis, D. G.; Simon, A. L.

1981-01-01

The requisite methodology to solve linear and nonlinear problems associated with the static and dynamic analysis of rotating machinery, their static and dynamic behavior, and the interaction between the rotating and nonrotating parts of an engine is developed. Linear and nonlinear structural engine problems are investigated by developing solution strategies and interactive computational methods whereby the man and computer can communicate directly in making analysis decisions. Representative examples include modifying structural models, changing material, parameters, selecting analysis options and coupling with interactive graphical display for pre- and postprocessing capability.

Dynamic Programming and Transitive Closure on Linear Pipelines.

DTIC Science & Technology

1984-05-01

four partitions. 2.0 - 1.9 1.0t N. N 3N N -8 4 24 Figure41 An ideal solution to small problem sizes is to design an algorithm on an array where the...12 References [1] A.V. Aho, J. Hopcroft, and J.D. Ullman. The Design and Analysis of Computer Algorithms, Addison-Wesley, (1974). - " [2] R. Aubusson...K.E. Batcher, " Design of a Massively Parallel Processor," IEEE-TC, Vol. C-9, No. 9, (September, 1980), pp. 83-840. [4] K.Q. Brown, "Dynamic Programming

Multithreaded Model for Dynamic Load Balancing Parallel Adaptive PDE Computations

NASA Technical Reports Server (NTRS)

Chrisochoides, Nikos

1995-01-01

We present a multithreaded model for the dynamic load-balancing of numerical, adaptive computations required for the solution of Partial Differential Equations (PDE's) on multiprocessors. Multithreading is used as a means of exploring concurrency in the processor level in order to tolerate synchronization costs inherent to traditional (non-threaded) parallel adaptive PDE solvers. Our preliminary analysis for parallel, adaptive PDE solvers indicates that multithreading can be used an a mechanism to mask overheads required for the dynamic balancing of processor workloads with computations required for the actual numerical solution of the PDE's. Also, multithreading can simplify the implementation of dynamic load-balancing algorithms, a task that is very difficult for traditional data parallel adaptive PDE computations. Unfortunately, multithreading does not always simplify program complexity, often makes code re-usability not an easy task, and increases software complexity.

Study of tethered satellite active attitude control

NASA Technical Reports Server (NTRS)

Colombo, G.

1982-01-01

Existing software was adapted for the study of tethered subsatellite rotational dynamics, an analytic solution for a stable configuration of a tethered subsatellite was developed, the analytic and numerical integrator (computer) solutions for this "test case' was compared in a two mass tether model program (DUMBEL), the existing multiple mass tether model (SKYHOOK) was modified to include subsatellite rotational dynamics, the analytic "test case,' was verified, and the use of the SKYHOOK rotational dynamics capability with a computer run showing the effect of a single off axis thruster on the behavior of the subsatellite was demonstrated. Subroutines for specific attitude control systems are developed and applied to the study of the behavior of the tethered subsatellite under realistic on orbit conditions. The effect of all tether "inputs,' including pendular oscillations, air drag, and electrodynamic interactions, on the dynamic behavior of the tether are included.

Population perspective is widening. Interview: Louise Lassonde.

PubMed

1992-01-01

Commentary is provided on the link between poverty and population growth, the link between population growth and the environment, solutions in general and at the village level, integrated programs, urban growth, and critical policies. Developing countries do recognize that rural poverty is part of the cycle of urban migration and population dynamics. Poverty also must be treated separately from population growth issues. An important issue is the reproductive health of women, their economic opportunities, and empowerment in decision making and access to information. Another important issue is the link between human species survival and the biosphere. Both issues need to be addressed and there is no contradiction between the issues; each is reinforcing of the other in policy. At the village level improving the personal, social, and environmental gains for women in villages with high fertility and soil erosion, deforestation, and water shortages serves both concerns. Programmatically, this means more information for women, better reproductive health services for women, improved social services, tree planting programs, water use programs, and environmental protection programs. Central planning is needed, but also decentralization in implementation and decision making. Urban population growth does not lend itself to ready-made solutions. The positive is that it offers modernization and the possibility of improved social services; the negative is how to provide the services. Both population dynamics and underlying infrastructure and urban management must work together. Recommendations are 3-fold. 1) Technology, the production/consumption process, and population dynamics are the major driving forces of environmental change. 2) The planning approach needs to be reconsidered: population dynamics and implications must be integrated at every level of planning. 3) Policies that recognize the aforementioned points will induce political will to implement activities and programs.

Selected achievements, science directions, and new opportunities for the WEBB Small Watershed Research Program

Treesearch

Pierre D. Glynn; Matthew C. Larsen; Earl A. Greene; Heather L. Buss; David W. Clow; Randall J. Hunt; M. Alisa Mast; Sheila F. Murphy; Norman E. Peters; Stephen D. Sebestyen; James B. Shanley; John F. Walker

2009-01-01

Over nearly two decades, the Water, Energy, and Biogeochemical Budgets (WEBB) small watershed research program of the U.S. Geological Survey (USGS) has documented how water and solute fluxes, nutrient, carbon, and mercury dynamics, and weathering and sediment transport respond to natural and humancaused drivers, including climate, climate change, and atmospheric...

Optimal Control Strategy Design Based on Dynamic Programming for a Dual-Motor Coupling-Propulsion System

PubMed Central

Zhang, Shuo; Zhang, Chengning; Han, Guangwei; Wang, Qinghui

2014-01-01

A dual-motor coupling-propulsion electric bus (DMCPEB) is modeled, and its optimal control strategy is studied in this paper. The necessary dynamic features of energy loss for subsystems is modeled. Dynamic programming (DP) technique is applied to find the optimal control strategy including upshift threshold, downshift threshold, and power split ratio between the main motor and auxiliary motor. Improved control rules are extracted from the DP-based control solution, forming near-optimal control strategies. Simulation results demonstrate that a significant improvement in reducing energy loss due to the dual-motor coupling-propulsion system (DMCPS) running is realized without increasing the frequency of the mode switch. PMID:25540814

Optimal control strategy design based on dynamic programming for a dual-motor coupling-propulsion system.

PubMed

Zhang, Shuo; Zhang, Chengning; Han, Guangwei; Wang, Qinghui

2014-01-01

A dual-motor coupling-propulsion electric bus (DMCPEB) is modeled, and its optimal control strategy is studied in this paper. The necessary dynamic features of energy loss for subsystems is modeled. Dynamic programming (DP) technique is applied to find the optimal control strategy including upshift threshold, downshift threshold, and power split ratio between the main motor and auxiliary motor. Improved control rules are extracted from the DP-based control solution, forming near-optimal control strategies. Simulation results demonstrate that a significant improvement in reducing energy loss due to the dual-motor coupling-propulsion system (DMCPS) running is realized without increasing the frequency of the mode switch.

The development of a dynamic software for the user interaction from the geographic information system environment with the database of the calibration site of the satellite remote electro-optic sensors

NASA Astrophysics Data System (ADS)

Zyelyk, Ya. I.; Semeniv, O. V.

2015-12-01

The state of the problem of the post-launch calibration of the satellite electro-optic remote sensors and its solutions in Ukraine is analyzed. The database is improved and dynamic services for user interaction with database from the environment of open geographical information system Quantum GIS for information support of calibration activities are created. A dynamic application under QGIS is developed, implementing these services in the direction of the possibility of data entering, editing and extraction from the database, using the technology of object-oriented programming and of modern complex program design patterns. The functional and algorithmic support of this dynamic software and its interface are developed.

Semantic Edge Based Disparity Estimation Using Adaptive Dynamic Programming for Binocular Sensors

PubMed Central

Zhu, Dongchen; Li, Jiamao; Wang, Xianshun; Peng, Jingquan; Shi, Wenjun; Zhang, Xiaolin

2018-01-01

Disparity calculation is crucial for binocular sensor ranging. The disparity estimation based on edges is an important branch in the research of sparse stereo matching and plays an important role in visual navigation. In this paper, we propose a robust sparse stereo matching method based on the semantic edges. Some simple matching costs are used first, and then a novel adaptive dynamic programming algorithm is proposed to obtain optimal solutions. This algorithm makes use of the disparity or semantic consistency constraint between the stereo images to adaptively search parameters, which can improve the robustness of our method. The proposed method is compared quantitatively and qualitatively with the traditional dynamic programming method, some dense stereo matching methods, and the advanced edge-based method respectively. Experiments show that our method can provide superior performance on the above comparison. PMID:29614028

Semantic Edge Based Disparity Estimation Using Adaptive Dynamic Programming for Binocular Sensors.

PubMed

Zhu, Dongchen; Li, Jiamao; Wang, Xianshun; Peng, Jingquan; Shi, Wenjun; Zhang, Xiaolin

2018-04-03

Disparity calculation is crucial for binocular sensor ranging. The disparity estimation based on edges is an important branch in the research of sparse stereo matching and plays an important role in visual navigation. In this paper, we propose a robust sparse stereo matching method based on the semantic edges. Some simple matching costs are used first, and then a novel adaptive dynamic programming algorithm is proposed to obtain optimal solutions. This algorithm makes use of the disparity or semantic consistency constraint between the stereo images to adaptively search parameters, which can improve the robustness of our method. The proposed method is compared quantitatively and qualitatively with the traditional dynamic programming method, some dense stereo matching methods, and the advanced edge-based method respectively. Experiments show that our method can provide superior performance on the above comparison.

A novel data hiding scheme for block truncation coding compressed images using dynamic programming strategy

NASA Astrophysics Data System (ADS)

Chang, Ching-Chun; Liu, Yanjun; Nguyen, Son T.

2015-03-01

Data hiding is a technique that embeds information into digital cover data. This technique has been concentrated on the spatial uncompressed domain, and it is considered more challenging to perform in the compressed domain, i.e., vector quantization, JPEG, and block truncation coding (BTC). In this paper, we propose a new data hiding scheme for BTC-compressed images. In the proposed scheme, a dynamic programming strategy was used to search for the optimal solution of the bijective mapping function for LSB substitution. Then, according to the optimal solution, each mean value embeds three secret bits to obtain high hiding capacity with low distortion. The experimental results indicated that the proposed scheme obtained both higher hiding capacity and hiding efficiency than the other four existing schemes, while ensuring good visual quality of the stego-image. In addition, the proposed scheme achieved a low bit rate as original BTC algorithm.

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.

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.

Vibration computer programs E13101, E13102, E13104, and E13112 and application to the NERVA program. Project 187: Methodology documentation

NASA Technical Reports Server (NTRS)

Mironenko, G.

1972-01-01

Programs for the analyses of the free or forced, undamped vibrations of one or two elastically-coupled lumped parameter teams are presented. Bearing nonlinearities, casing and rotor distributed mass and elasticity, rotor imbalance, forcing functions, gyroscopic moments, rotary inertia, and shear and flexural deformations are all included in the system dynamics analysis. All bearings have nonlinear load displacement characteristics, the solution is achieved by iteration. Rotor imbalances allowed by such considerations as pilot tolerances and runouts as well as bearing clearances (allowing concail or cylindrical whirl) determine the forcing function magnitudes. The computer programs first obtain a solution wherein the bearings are treated as linear springs of given spring rates. Then, based upon the computed bearing reactions, new spring rates are predicted and another solution of the modified system is made. The iteration is continued until the changes to bearing spring rates and bearing reactions become negligibly small.

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.

Equations of motion for coupled n-body systems

NASA Technical Reports Server (NTRS)

Frisch, H. P.

1980-01-01

Computer program, developed to analyze spacecraft attitude dynamics, can be applied to large class of problems involving objects that can be simplified into component parts. Systems of coupled rigid bodies, point masses, symmetric wheels, and elastically flexible bodies can be analyzed. Program derives complete set of non-linear equations of motion in vectordyadic format. Numerical solutions may be printed out. Program is in FORTRAN IV for batch execution and has been implemented on IBM 360.

Overview 1993: Computational applications

NASA Technical Reports Server (NTRS)

Benek, John A.

1993-01-01

Computational applications include projects that apply or develop computationally intensive computer programs. Such programs typically require supercomputers to obtain solutions in a timely fashion. This report describes two CSTAR projects involving Computational Fluid Dynamics (CFD) technology. The first, the Parallel Processing Initiative, is a joint development effort and the second, the Chimera Technology Development, is a transfer of government developed technology to American industry.

Modeling the missile-launch tube problem in DYSCO

NASA Technical Reports Server (NTRS)

Berman, Alex; Gustavson, Bruce A.

1989-01-01

DYSCO is a versatile, general purpose dynamic analysis program which assembles equations and solves dynamics problems. The executive manages a library of technology modules which contain routines that compute the matrix coefficients of the second order ordinary differential equations of the components. The executive performs the coupling of the equations of the components and manages the solution of the coupled equations. Any new component representation may be added to the library if, given the state vector, a FORTRAN program can be written to compute M, C, K, and F. The problem described demonstrates the generality of this statement.

Dynamic programming and graph algorithms in computer vision.

PubMed

Felzenszwalb, Pedro F; Zabih, Ramin

2011-04-01

Optimization is a powerful paradigm for expressing and solving problems in a wide range of areas, and has been successfully applied to many vision problems. Discrete optimization techniques are especially interesting since, by carefully exploiting problem structure, they often provide nontrivial guarantees concerning solution quality. In this paper, we review dynamic programming and graph algorithms, and discuss representative examples of how these discrete optimization techniques have been applied to some classical vision problems. We focus on the low-level vision problem of stereo, the mid-level problem of interactive object segmentation, and the high-level problem of model-based recognition.

Approximate dynamic programming for optimal stationary control with control-dependent noise.

PubMed

Jiang, Yu; Jiang, Zhong-Ping

2011-12-01

This brief studies the stochastic optimal control problem via reinforcement learning and approximate/adaptive dynamic programming (ADP). A policy iteration algorithm is derived in the presence of both additive and multiplicative noise using Itô calculus. The expectation of the approximated cost matrix is guaranteed to converge to the solution of some algebraic Riccati equation that gives rise to the optimal cost value. Moreover, the covariance of the approximated cost matrix can be reduced by increasing the length of time interval between two consecutive iterations. Finally, a numerical example is given to illustrate the efficiency of the proposed ADP methodology.

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.

Direct heuristic dynamic programming for damping oscillations in a large power system.

PubMed

Lu, Chao; Si, Jennie; Xie, Xiaorong

2008-08-01

This paper applies a neural-network-based approximate dynamic programming method, namely, the direct heuristic dynamic programming (direct HDP), to a large power system stability control problem. The direct HDP is a learning- and approximation-based approach to addressing nonlinear coordinated control under uncertainty. One of the major design parameters, the controller learning objective function, is formulated to directly account for network-wide low-frequency oscillation with the presence of nonlinearity, uncertainty, and coupling effect among system components. Results include a novel learning control structure based on the direct HDP with applications to two power system problems. The first case involves static var compensator supplementary damping control, which is used to provide a comprehensive evaluation of the learning control performance. The second case aims at addressing a difficult complex system challenge by providing a new solution to a large interconnected power network oscillation damping control problem that frequently occurs in the China Southern Power Grid.

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.

Forest and Agricultural Sector Optimization Model Greenhouse Gas Version (FASOM-GHG)

EPA Science Inventory

FASOM-GHG is a dynamic, multi-period, intertemporal, price-endogenous, mathematical programming model depicting land transfers and other resource allocations between and within the agricultural and forest sectors in the US. The model solution portrays simultaneous market equilibr...

PROGRAM ASTEC (ADVANCED SOLAR TURBO ELECTRIC CONCEPT). PART IV. SOLAR COLLECTOR DEVELOPMENT SUPPORT TASKS. VOL. VI. DEVELOPMENT OF ANALYTICAL TECHNIQUES TO PREDICT THE STRUCTURAL BEHAVIOR OF PETAL-TYPE SOLAR COLLECTORS.

DTIC Science & Technology

The design of large petal-type paraboloidal solar collectors for the ASTEC Program requires a capability for determining the distortion and stress...analysis of a parabolic curved beam is given along with a numerical solution and digital program. The dynamic response of the ASTEC flight-test vehicle is discussed on the basis of modal analysis.

A Survey of Mathematical Programming in the Soviet Union (Bibliography),

DTIC Science & Technology

1982-01-01

ASTAFYEV, N. N., "METHOD OF LINEARIZATION IN CONVEX PROGRAMMING", TR4- Y ZIMN SHKOLY PO MAT PROGRAMMIR I XMEZHN VOPR DROGOBYCH, 72, VOL. 3, 54-73 2...AKADEMIYA KOMMUNLN’NOGO KHOZYAYSTVA (MOSCOW), 72, NO. 93, 70-77 19. GIMELFARB , G, V. MARCHENKO, V. RYBAK, "AUTOMATIC IDENTIFICATION OF IDENTICAL POINTS...DYNAMIC PROGRAMMING (CONTINUED) 25. KOLOSOV, G. Y , "ON ANALYTICAL SOLUTION OF DESIGN PROBLEMS FOR DISTRIBUTED OPTIMAL CONTROL SYSTEMS SUBJECTED TO RANDOM

Teaching Ionic Solvation Structure with a Monte Carlo Liquid Simulation Program

ERIC Educational Resources Information Center

Serrano, Agostinho; Santos, Flavia M. T.; Greca, Ileana M.

2004-01-01

The use of molecular dynamics and Monte Carlo methods has provided efficient means to stimulate the behavior of molecular liquids and solutions. A Monte Carlo simulation program is used to compute the structure of liquid water and of water as a solvent to Na(super +), Cl(super -), and Ar on a personal computer to show that it is easily feasible to…

Dynamic Flow Management Problems in Air Transportation

NASA Technical Reports Server (NTRS)

Patterson, Sarah Stock

1997-01-01

In 1995, over six hundred thousand licensed pilots flew nearly thirty-five million flights into over eighteen thousand U.S. airports, logging more than 519 billion passenger miles. Since demand for air travel has increased by more than 50% in the last decade while capacity has stagnated, congestion is a problem of undeniable practical significance. In this thesis, we will develop optimization techniques that reduce the impact of congestion on the national airspace. We start by determining the optimal release times for flights into the airspace and the optimal speed adjustment while airborne taking into account the capacitated airspace. This is called the Air Traffic Flow Management Problem (TFMP). We address the complexity, showing that it is NP-hard. We build an integer programming formulation that is quite strong as some of the proposed inequalities are facet defining for the convex hull of solutions. For practical problems, the solutions of the LP relaxation of the TFMP are very often integral. In essence, we reduce the problem to efficiently solving large scale linear programming problems. Thus, the computation times are reasonably small for large scale, practical problems involving thousands of flights. Next, we address the problem of determining how to reroute aircraft in the airspace system when faced with dynamically changing weather conditions. This is called the Air Traffic Flow Management Rerouting Problem (TFMRP) We present an integrated mathematical programming approach for the TFMRP, which utilizes several methodologies, in order to minimize delay costs. In order to address the high dimensionality, we present an aggregate model, in which we formulate the TFMRP as a multicommodity, integer, dynamic network flow problem with certain side constraints. Using Lagrangian relaxation, we generate aggregate flows that are decomposed into a collection of flight paths using a randomized rounding heuristic. This collection of paths is used in a packing integer programming formulation, the solution of which generates feasible and near-optimal routes for individual flights. The algorithm, termed the Lagrangian Generation Algorithm, is used to solve practical problems in the southwestern portion of United States in which the solutions are within 1% of the corresponding lower bounds.

Differential invariants in nonclassical models of hydrodynamics

NASA Astrophysics Data System (ADS)

Bublik, Vasily V.

2017-10-01

In this paper, differential invariants are used to construct solutions for equations of the dynamics of a viscous heat-conducting gas and the dynamics of a viscous incompressible fluid modified by nanopowder inoculators. To describe the dynamics of a viscous heat-conducting gas, we use the complete system of Navier—Stokes equations with allowance for heat fluxes. Mathematical description of the dynamics of liquid metals under high-energy external influences (laser radiation or plasma flow) includes, in addition to the Navier—Stokes system of an incompressible viscous fluid, also heat fluxes and processes of nonequilibrium crystallization of a deformable fluid. Differentially invariant solutions are a generalization of partially invariant solutions, and their active study for various models of continuous medium mechanics is just beginning. Differentially invariant solutions can also be considered as solutions with differential constraints; therefore, when developing them, the approaches and methods developed by the science schools of academicians N. N. Yanenko and A. F. Sidorov will be actively used. In the construction of partially invariant and differentially invariant solutions, there are overdetermined systems of differential equations that require a compatibility analysis. The algorithms for reducing such systems to involution in a finite number of steps are described by Cartan, Finikov, Kuranishi, and other authors. However, the difficultly foreseeable volume of intermediate calculations complicates their practical application. Therefore, the methods of computer algebra are actively used here, which largely helps in solving this difficult problem. It is proposed to use the constructed exact solutions as tests for formulas, algorithms and their software implementations when developing and creating numerical methods and computational program complexes. This combination of effective numerical methods, capable of solving a wide class of problems, with analytical methods makes it possible to make the results of mathematical modeling more accurate and reliable.

Dynamic System Coupler Program (DYSCO 4.1). Volume 1. Theoretical Manual

DTIC Science & Technology

1989-01-01

present analysis is as follows: 1. Triplet X, Y, Z represents an inertia frame, R. The R system coordinates are the rotor shaft axes when there is...small perturbation analysis . 2.5 3-D MODAL STRUCTURE - CFM3 A three-dimensional structure is represented as a linear combination of orth­ ogonal modes...Include rotor blade damage modeling, Elgen analysis development, general time history solution development, frequency domain solution development

Trajectory design strategies that incorporate invariant manifolds and swingby

NASA Technical Reports Server (NTRS)

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

1998-01-01

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

Waste management with recourse: an inexact dynamic programming model containing fuzzy boundary intervals in objectives and constraints.

PubMed

Tan, Q; Huang, G H; Cai, Y P

2010-09-01

The existing inexact optimization methods based on interval-parameter linear programming can hardly address problems where coefficients in objective functions are subject to dual uncertainties. In this study, a superiority-inferiority-based inexact fuzzy two-stage mixed-integer linear programming (SI-IFTMILP) model was developed for supporting municipal solid waste management under uncertainty. The developed SI-IFTMILP approach is capable of tackling dual uncertainties presented as fuzzy boundary intervals (FuBIs) in not only constraints, but also objective functions. Uncertainties expressed as a combination of intervals and random variables could also be explicitly reflected. An algorithm with high computational efficiency was provided to solve SI-IFTMILP. SI-IFTMILP was then applied to a long-term waste management case to demonstrate its applicability. Useful interval solutions were obtained. SI-IFTMILP could help generate dynamic facility-expansion and waste-allocation plans, as well as provide corrective actions when anticipated waste management plans are violated. It could also greatly reduce system-violation risk and enhance system robustness through examining two sets of penalties resulting from variations in fuzziness and randomness. Moreover, four possible alternative models were formulated to solve the same problem; solutions from them were then compared with those from SI-IFTMILP. The results indicate that SI-IFTMILP could provide more reliable solutions than the alternatives. 2010 Elsevier Ltd. All rights reserved.

Method for collecting thermocouple data via secured shell over a wireless local area network in real time

NASA Astrophysics Data System (ADS)

Arnold, F.; DeMallie, I.; Florence, L.; Kashinski, D. O.

2015-03-01

This manuscript addresses the design, hardware details, construction, and programming of an apparatus allowing an experimenter to monitor and record high-temperature thermocouple measurements of dynamic systems in real time. The apparatus uses wireless network technology to bridge the gap between a dynamic (moving) sample frame and the static laboratory frame. Our design is a custom solution applied to samples that rotate through large angular displacements where hard-wired and typical slip-ring solutions are not practical because of noise considerations. The apparatus consists of a Raspberry PI mini-Linux computer, an Arduino micro-controller, an Ocean Controls thermocouple multiplexer shield, and k-type thermocouples.

Method for collecting thermocouple data via secured shell over a wireless local area network in real time.

PubMed

Arnold, F; DeMallie, I; Florence, L; Kashinski, D O

2015-03-01

This manuscript addresses the design, hardware details, construction, and programming of an apparatus allowing an experimenter to monitor and record high-temperature thermocouple measurements of dynamic systems in real time. The apparatus uses wireless network technology to bridge the gap between a dynamic (moving) sample frame and the static laboratory frame. Our design is a custom solution applied to samples that rotate through large angular displacements where hard-wired and typical slip-ring solutions are not practical because of noise considerations. The apparatus consists of a Raspberry PI mini-Linux computer, an Arduino micro-controller, an Ocean Controls thermocouple multiplexer shield, and k-type thermocouples.

Dynamic Programming and Graph Algorithms in Computer Vision*

PubMed Central

Felzenszwalb, Pedro F.; Zabih, Ramin

2013-01-01

Optimization is a powerful paradigm for expressing and solving problems in a wide range of areas, and has been successfully applied to many vision problems. Discrete optimization techniques are especially interesting, since by carefully exploiting problem structure they often provide non-trivial guarantees concerning solution quality. In this paper we briefly review dynamic programming and graph algorithms, and discuss representative examples of how these discrete optimization techniques have been applied to some classical vision problems. We focus on the low-level vision problem of stereo; the mid-level problem of interactive object segmentation; and the high-level problem of model-based recognition. PMID:20660950

The Analysis of Forward and Backward Dynamic Programming for Multistage Graph

NASA Astrophysics Data System (ADS)

Sitinjak, Anna Angela; Pasaribu, Elvina; Simarmata, Justin E.; Putra, Tedy; Mawengkang, Herman

2018-01-01

Dynamic programming is an optimization approach that divides the complex problems into the simple sequences of problems in which they are interrelated leading to decisions. In the dynamic programming, there is no standard formula that can be used to make a certain formulation. In this paper we use forward and backward method to find path which have the minimum cost and to know whether they make the same final decision. Convert the problem into several successive sequential stages starting on from stages 1,2,3 and 4 for forward dynamic programming and the step back from stage 4.3,2,1 for backward dynamic programming and interconnected with a decision rule in each stage. Find the optimal solution with cost principle at next stage. Based on the characteristics of the dynamic programming, the case is divided into several stages and the decision is has to be made (xk) at each stage. The results obtained at a stage are used for the states in the next stage so that at the forward stage 1, f1 (s) is obtained and used as a consideration of the decision in the next stage. In the backward, used firstly stage 4, f4 (s) is obtained and used as a consideration of the decision in the next stage. Cost forward and backward always increase steadily, because the cost in the next stage depends on the cost in the previous stage and formed the decision of each stage by taking the smallest fk value. Therefore the forward and backward approaches have the same result.

Expansion of epicyclic gear dynamic analysis program

NASA Technical Reports Server (NTRS)

Boyd, Linda Smith; Pike, James A.

1987-01-01

The multiple mesh/single stage dynamics program is a gear tooth analysis program which determines detailed geometry, dynamic loads, stresses, and surface damage factors. The program can analyze a variety of both epicyclic and single mesh systems with spur or helical gear teeth including internal, external, and buttress tooth forms. The modifications refine the options for the flexible carrier and flexible ring gear rim and adds three options: a floating Sun gear option; a natural frequency option; and a finite element compliance formulation for helical gear teeth. The option for a floating Sun incorporates two additional degrees of freedom at the Sun center. The natural frequency option evaluates the frequencies of planetary, star, or differential systems as well as the effect of additional springs at the Sun center and those due to a flexible carrier and/or ring gear rim. The helical tooth pair finite element calculated compliance is obtained from an automated element breakup of the helical teeth and then is used with the basic gear dynamic solution and stress postprocessing routines. The flexible carrier or ring gear rim option for planetary and star spur gear systems allows the output torque per carrier and ring gear rim segment to vary based on the dynamic response of the entire system, while the total output torque remains constant.

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.

C style guide

NASA Technical Reports Server (NTRS)

Doland, Jerry; Valett, Jon

1994-01-01

This document discusses recommended practices and style for programmers using the C language in the Flight Dynamics Division environment. Guidelines are based on generally recommended software engineering techniques, industry resources, and local convention. The Guide offers preferred solutions to common C programming issues and illustrates through examples of C Code.

The MHOST finite element program: 3-D inelastic analysis methods for hot section components. Volume 1: Theoretical manual

NASA Technical Reports Server (NTRS)

Nakazawa, Shohei

1991-01-01

Formulations and algorithms implemented in the MHOST finite element program are discussed. The code uses a novel concept of the mixed iterative solution technique for the efficient 3-D computations of turbine engine hot section components. The general framework of variational formulation and solution algorithms are discussed which were derived from the mixed three field Hu-Washizu principle. This formulation enables the use of nodal interpolation for coordinates, displacements, strains, and stresses. Algorithmic description of the mixed iterative method includes variations for the quasi static, transient dynamic and buckling analyses. The global-local analysis procedure referred to as the subelement refinement is developed in the framework of the mixed iterative solution, of which the detail is presented. The numerically integrated isoparametric elements implemented in the framework is discussed. Methods to filter certain parts of strain and project the element discontinuous quantities to the nodes are developed for a family of linear elements. Integration algorithms are described for linear and nonlinear equations included in MHOST program.

Enhancements to TetrUSS for NASA Constellation Program

NASA Technical Reports Server (NTRS)

Pandya, Mohagna J.; Frink, Neal T.; Abdol-Hamid, Khaled S.; Samareh, Jamshid A,; Parlete, Edward B.; Taft, James R.

2011-01-01

The NASA Constellation program is utilizing Computational Fluid Dynamics (CFD) predictions for generating aerodynamic databases and design loads for the Ares I, Ares I-X, and Ares V launch vehicles and for aerodynamic databases for the Orion crew exploration vehicle and its launch abort system configuration. This effort presents several challenges to applied aerodynamicists due to complex geometries and flow physics, as well as from the juxtaposition of short schedule program requirements with high fidelity CFD simulations. NASA TetrUSS codes (GridTool/VGRID/USM3D) have been making extensive contributions in this effort. This paper will provide an overview of several enhancements made to the various elements of TetrUSS suite of codes. Representative TetrUSS solutions for selected Constellation program elements will be shown. Best practices guidelines and scripting developed for generating TetrUSS solutions in a production environment will also be described.

Numerical method for solution of systems of non-stationary spatially one-dimensional nonlinear differential equations

NASA Technical Reports Server (NTRS)

Morozov, S. K.; Krasitskiy, O. P.

1978-01-01

A computational scheme and a standard program is proposed for solving systems of nonstationary spatially one-dimensional nonlinear differential equations using Newton's method. The proposed scheme is universal in its applicability and its reduces to a minimum the work of programming. The program is written in the FORTRAN language and can be used without change on electronic computers of type YeS and BESM-6. The standard program described permits the identification of nonstationary (or stationary) solutions to systems of spatially one-dimensional nonlinear (or linear) partial differential equations. The proposed method may be used to solve a series of geophysical problems which take chemical reactions, diffusion, and heat conductivity into account, to evaluate nonstationary thermal fields in two-dimensional structures when in one of the geometrical directions it can take a small number of discrete levels, and to solve problems in nonstationary gas dynamics.

Data-Driven Engineering of Social Dynamics: Pattern Matching and Profit Maximization

PubMed Central

Peng, Huan-Kai; Lee, Hao-Chih; Pan, Jia-Yu; Marculescu, Radu

2016-01-01

In this paper, we define a new problem related to social media, namely, the data-driven engineering of social dynamics. More precisely, given a set of observations from the past, we aim at finding the best short-term intervention that can lead to predefined long-term outcomes. Toward this end, we propose a general formulation that covers two useful engineering tasks as special cases, namely, pattern matching and profit maximization. By incorporating a deep learning model, we derive a solution using convex relaxation and quadratic-programming transformation. Moreover, we propose a data-driven evaluation method in place of the expensive field experiments. Using a Twitter dataset, we demonstrate the effectiveness of our dynamics engineering approach for both pattern matching and profit maximization, and study the multifaceted interplay among several important factors of dynamics engineering, such as solution validity, pattern-matching accuracy, and intervention cost. Finally, the method we propose is general enough to work with multi-dimensional time series, so it can potentially be used in many other applications. PMID:26771830

Data-Driven Engineering of Social Dynamics: Pattern Matching and Profit Maximization.

PubMed

Peng, Huan-Kai; Lee, Hao-Chih; Pan, Jia-Yu; Marculescu, Radu

2016-01-01

In this paper, we define a new problem related to social media, namely, the data-driven engineering of social dynamics. More precisely, given a set of observations from the past, we aim at finding the best short-term intervention that can lead to predefined long-term outcomes. Toward this end, we propose a general formulation that covers two useful engineering tasks as special cases, namely, pattern matching and profit maximization. By incorporating a deep learning model, we derive a solution using convex relaxation and quadratic-programming transformation. Moreover, we propose a data-driven evaluation method in place of the expensive field experiments. Using a Twitter dataset, we demonstrate the effectiveness of our dynamics engineering approach for both pattern matching and profit maximization, and study the multifaceted interplay among several important factors of dynamics engineering, such as solution validity, pattern-matching accuracy, and intervention cost. Finally, the method we propose is general enough to work with multi-dimensional time series, so it can potentially be used in many other applications.

New numerical methods for open-loop and feedback solutions to dynamic optimization problems

NASA Astrophysics Data System (ADS)

Ghosh, Pradipto

The topic of the first part of this research is trajectory optimization of dynamical systems via computational swarm intelligence. Particle swarm optimization is a nature-inspired heuristic search method that relies on a group of potential solutions to explore the fitness landscape. Conceptually, each particle in the swarm uses its own memory as well as the knowledge accumulated by the entire swarm to iteratively converge on an optimal or near-optimal solution. It is relatively straightforward to implement and unlike gradient-based solvers, does not require an initial guess or continuity in the problem definition. Although particle swarm optimization has been successfully employed in solving static optimization problems, its application in dynamic optimization, as posed in optimal control theory, is still relatively new. In the first half of this thesis particle swarm optimization is used to generate near-optimal solutions to several nontrivial trajectory optimization problems including thrust programming for minimum fuel, multi-burn spacecraft orbit transfer, and computing minimum-time rest-to-rest trajectories for a robotic manipulator. A distinct feature of the particle swarm optimization implementation in this work is the runtime selection of the optimal solution structure. Optimal trajectories are generated by solving instances of constrained nonlinear mixed-integer programming problems with the swarming technique. For each solved optimal programming problem, the particle swarm optimization result is compared with a nearly exact solution found via a direct method using nonlinear programming. Numerical experiments indicate that swarm search can locate solutions to very great accuracy. The second half of this research develops a new extremal-field approach for synthesizing nearly optimal feedback controllers for optimal control and two-player pursuit-evasion games described by general nonlinear differential equations. A notable revelation from this development is that the resulting control law has an algebraic closed-form structure. The proposed method uses an optimal spatial statistical predictor called universal kriging to construct the surrogate model of a feedback controller, which is capable of quickly predicting an optimal control estimate based on current state (and time) information. With universal kriging, an approximation to the optimal feedback map is computed by conceptualizing a set of state-control samples from pre-computed extremals to be a particular realization of a jointly Gaussian spatial process. Feedback policies are computed for a variety of example dynamic optimization problems in order to evaluate the effectiveness of this methodology. This feedback synthesis approach is found to combine good numerical accuracy with low computational overhead, making it a suitable candidate for real-time applications. Particle swarm and universal kriging are combined for a capstone example, a near optimal, near-admissible, full-state feedback control law is computed and tested for the heat-load-limited atmospheric-turn guidance of an aeroassisted transfer vehicle. The performance of this explicit guidance scheme is found to be very promising; initial errors in atmospheric entry due to simulated thruster misfirings are found to be accurately corrected while closely respecting the algebraic state-inequality constraint.

Xcas as a Programming Environment for Stability Conditions for a Class of Differential Equation Models in Economics

NASA Astrophysics Data System (ADS)

Halkos, George E.; Tsilika, Kyriaki D.

2011-09-01

In this paper we examine the property of asymptotic stability in several dynamic economic systems, modeled in ordinary differential equation formulations of time parameter t. Asymptotic stability ensures intertemporal equilibrium for the economic quantity the solution stands for, regardless of what the initial conditions happen to be. Existence of economic equilibrium in continuous time models is checked via a Symbolic language, the Xcas program editor. Using stability theorems of differential equations as background a brief overview of symbolic capabilities of free software Xcas is given. We present computational experience with a programming style for stability results of ordinary linear and nonlinear differential equations. Numerical experiments on traditional applications of economic dynamics exhibit the simplicity clarity and brevity of input and output of our computer codes.

Dynamic Reconfiguration of Security Policies in Wireless Sensor Networks

PubMed Central

Pinto, Mónica; Gámez, Nadia; Fuentes, Lidia; Amor, Mercedes; Horcas, José Miguel; Ayala, Inmaculada

2015-01-01

Providing security and privacy to wireless sensor nodes (WSNs) is very challenging, due to the heterogeneity of sensor nodes and their limited capabilities in terms of energy, processing power and memory. The applications for these systems run in a myriad of sensors with different low-level programming abstractions, limited capabilities and different routing protocols. This means that applications for WSNs need mechanisms for self-adaptation and for self-protection based on the dynamic adaptation of the algorithms used to provide security. Dynamic software product lines (DSPLs) allow managing both variability and dynamic software adaptation, so they can be considered a key technology in successfully developing self-protected WSN applications. In this paper, we propose a self-protection solution for WSNs based on the combination of the INTER-TRUST security framework (a solution for the dynamic negotiation and deployment of security policies) and the FamiWare middleware (a DSPL approach to automatically configure and reconfigure instances of a middleware for WSNs). We evaluate our approach using a case study from the intelligent transportation system domain. PMID:25746093

A genetic algorithm solution to the unit commitment problem

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

Kazarlis, S.A.; Bakirtzis, A.G.; Petridis, V.

1996-02-01

This paper presents a Genetic Algorithm (GA) solution to the Unit Commitment problem. GAs are general purpose optimization techniques based on principles inspired from the biological evolution using metaphors of mechanisms such as natural selection, genetic recombination and survival of the fittest. A simple Ga algorithm implementation using the standard crossover and mutation operators could locate near optimal solutions but in most cases failed to converge to the optimal solution. However, using the Varying Quality Function technique and adding problem specific operators, satisfactory solutions to the Unit Commitment problem were obtained. Test results for systems of up to 100 unitsmore » and comparisons with results obtained using Lagrangian Relaxation and Dynamic Programming are also reported.« less

Hypersonic research at Stanford University

NASA Technical Reports Server (NTRS)

Candler, Graham; Maccormack, Robert

1988-01-01

The status of the hypersonic research program at Stanford University is discussed and recent results are highlighted. The main areas of interest in the program are the numerical simulation of radiating, reacting and thermally excited flows, the investigation and numerical solution of hypersonic shock wave physics, the extension of the continuum fluid dynamic equations to the transition regime between continuum and free-molecule flow, and the development of novel numerical algorithms for efficient particulate simulations of flowfields.

Accurate Natural Trail Detection Using a Combination of a Deep Neural Network and Dynamic Programming.

PubMed

Adhikari, Shyam Prasad; Yang, Changju; Slot, Krzysztof; Kim, Hyongsuk

2018-01-10

This paper presents a vision sensor-based solution to the challenging problem of detecting and following trails in highly unstructured natural environments like forests, rural areas and mountains, using a combination of a deep neural network and dynamic programming. The deep neural network (DNN) concept has recently emerged as a very effective tool for processing vision sensor signals. A patch-based DNN is trained with supervised data to classify fixed-size image patches into "trail" and "non-trail" categories, and reshaped to a fully convolutional architecture to produce trail segmentation map for arbitrary-sized input images. As trail and non-trail patches do not exhibit clearly defined shapes or forms, the patch-based classifier is prone to misclassification, and produces sub-optimal trail segmentation maps. Dynamic programming is introduced to find an optimal trail on the sub-optimal DNN output map. Experimental results showing accurate trail detection for real-world trail datasets captured with a head mounted vision system are presented.

Quasi-Optimal Elimination Trees for 2D Grids with Singularities

DOE PAGES

Paszyńska, A.; Paszyński, M.; Jopek, K.; ...

2015-01-01

We consmore » truct quasi-optimal elimination trees for 2D finite element meshes with singularities. These trees minimize the complexity of the solution of the discrete system. The computational cost estimates of the elimination process model the execution of the multifrontal algorithms in serial and in parallel shared-memory executions. Since the meshes considered are a subspace of all possible mesh partitions, we call these minimizers quasi-optimal. We minimize the cost functionals using dynamic programming. Finding these minimizers is more computationally expensive than solving the original algebraic system. Nevertheless, from the insights provided by the analysis of the dynamic programming minima, we propose a heuristic construction of the elimination trees that has cost O N e log ⁡ N e , where N e is the number of elements in the mesh. We show that this heuristic ordering has similar computational cost to the quasi-optimal elimination trees found with dynamic programming and outperforms state-of-the-art alternatives in our numerical experiments.« less

Quasi-Optimal Elimination Trees for 2D Grids with Singularities

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

Paszyńska, A.; Paszyński, M.; Jopek, K.

We consmore » truct quasi-optimal elimination trees for 2D finite element meshes with singularities. These trees minimize the complexity of the solution of the discrete system. The computational cost estimates of the elimination process model the execution of the multifrontal algorithms in serial and in parallel shared-memory executions. Since the meshes considered are a subspace of all possible mesh partitions, we call these minimizers quasi-optimal. We minimize the cost functionals using dynamic programming. Finding these minimizers is more computationally expensive than solving the original algebraic system. Nevertheless, from the insights provided by the analysis of the dynamic programming minima, we propose a heuristic construction of the elimination trees that has cost O N e log ⁡ N e , where N e is the number of elements in the mesh. We show that this heuristic ordering has similar computational cost to the quasi-optimal elimination trees found with dynamic programming and outperforms state-of-the-art alternatives in our numerical experiments.« less

A Brownian dynamics program for the simulation of linear and circular DNA and other wormlike chain polyelectrolytes.

PubMed Central

Klenin, K; Merlitz, H; Langowski, J

1998-01-01

For the interpretation of solution structural and dynamic data of linear and circular DNA molecules in the kb range, and for the prediction of the effect of local structural changes on the global conformation of such DNAs, we have developed an efficient and easy way to set up a program based on a second-order explicit Brownian dynamics algorithm. The DNA is modeled by a chain of rigid segments interacting through harmonic spring potentials for bending, torsion, and stretching. The electrostatics are handled using precalculated energy tables for the interactions between DNA segments as a function of relative orientation and distance. Hydrodynamic interactions are treated using the Rotne-Prager tensor. While maintaining acceptable precision, the simulation can be accelerated by recalculating this tensor only once in a certain number of steps. PMID:9533691

Program review. Challenges and opportunities for training the next generation of biophysicists: perspectives of the directors of the Molecular Biophysics Training Program at Northwestern University.

PubMed

Neuhaus, Francis; Widom, Jonathan; MacDonald, Robert; Jardetzky, Theodore; Radhakrishnan, Ishwar

2008-04-01

Molecular biophysics is a broad, diverse, and dynamic field that has presented a variety of unique challenges and opportunities for training future generations of investigators. Having been or currently being intimately associated with the Molecular Biophysics Training Program at Northwestern, we present our perspectives on various issues that we have encountered over the years. We propose no cookie-cutter solutions, as there is no consensus on what constitutes the "ideal" program. However, there is uniformity in opinion on some key issues that might be useful to those interested in establishing a biophysics training program.

Ontology-Oriented Programming for Biomedical Informatics.

PubMed

Lamy, Jean-Baptiste

2016-01-01

Ontologies are now widely used in the biomedical domain. However, it is difficult to manipulate ontologies in a computer program and, consequently, it is not easy to integrate ontologies with databases or websites. Two main approaches have been proposed for accessing ontologies in a computer program: traditional API (Application Programming Interface) and ontology-oriented programming, either static or dynamic. In this paper, we will review these approaches and discuss their appropriateness for biomedical ontologies. We will also present an experience feedback about the integration of an ontology in a computer software during the VIIIP research project. Finally, we will present OwlReady, the solution we developed.

Scheduling algorithms for rapid imaging using agile Cubesat constellations

NASA Astrophysics Data System (ADS)

Nag, Sreeja; Li, Alan S.; Merrick, James H.

2018-02-01

Distributed Space Missions such as formation flight and constellations, are being recognized as important Earth Observation solutions to increase measurement samples over space and time. Cubesats are increasing in size (27U, ∼40 kg in development) with increasing capabilities to host imager payloads. Given the precise attitude control systems emerging in the commercial market, Cubesats now have the ability to slew and capture images within short notice. We propose a modular framework that combines orbital mechanics, attitude control and scheduling optimization to plan the time-varying, full-body orientation of agile Cubesats in a constellation such that they maximize the number of observed images and observation time, within the constraints of Cubesat hardware specifications. The attitude control strategy combines bang-bang and PD control, with constraints such as power consumption, response time, and stability factored into the optimality computations and a possible extension to PID control to account for disturbances. Schedule optimization is performed using dynamic programming with two levels of heuristics, verified and improved upon using mixed integer linear programming. The automated scheduler is expected to run on ground station resources and the resultant schedules uplinked to the satellites for execution, however it can be adapted for onboard scheduling, contingent on Cubesat hardware and software upgrades. The framework is generalizable over small steerable spacecraft, sensor specifications, imaging objectives and regions of interest, and is demonstrated using multiple 20 kg satellites in Low Earth Orbit for two case studies - rapid imaging of Landsat's land and coastal images and extended imaging of global, warm water coral reefs. The proposed algorithm captures up to 161% more Landsat images than nadir-pointing sensors with the same field of view, on a 2-satellite constellation over a 12-h simulation. Integer programming was able to verify that optimality of the dynamic programming solution for single satellites was within 10%, and find up to 5% more optimal solutions. The optimality gap for constellations was found to be 22% at worst, but the dynamic programming schedules were found at nearly four orders of magnitude better computational speed than integer programming. The algorithm can include cloud cover predictions, ground downlink windows or any other spatial, temporal or angular constraints into the orbital module and be integrated into planning tools for agile constellations.

Spatial operator factorization and inversion of the manipulator mass matrix

NASA Technical Reports Server (NTRS)

Rodriguez, Guillermo; Kreutz-Delgado, Kenneth

1992-01-01

This paper advances two linear operator factorizations of the manipulator mass matrix. Embedded in the factorizations are many of the techniques that are regarded as very efficient computational solutions to inverse and forward dynamics problems. The operator factorizations provide a high-level architectural understanding of the mass matrix and its inverse, which is not visible in the detailed algorithms. They also lead to a new approach to the development of computer programs or organize complexity in robot dynamics.

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.

CFD Extraction Tool for TecPlot From DPLR Solutions

NASA Technical Reports Server (NTRS)

Norman, David

2013-01-01

This invention is a TecPlot macro of a computer program in the TecPlot programming language that processes data from DPLR solutions in TecPlot format. DPLR (Data-Parallel Line Relaxation) is a NASA computational fluid dynamics (CFD) code, and TecPlot is a commercial CFD post-processing tool. The Tec- Plot data is in SI units (same as DPLR output). The invention converts the SI units into British units. The macro modifies the TecPlot data with unit conversions, and adds some extra calculations. After unit conversions, the macro cuts a slice, and adds vectors on the current plot for output format. The macro can also process surface solutions. Existing solutions use manual conversion and superposition. The conversion is complicated because it must be applied to a range of inter-related scalars and vectors to describe a 2D or 3D flow field. It processes the CFD solution to create superposition/comparison of scalars and vectors. The existing manual solution is cumbersome, open to errors, slow, and cannot be inserted into an automated process. This invention is quick and easy to use, and can be inserted into an automated data-processing algorithm.

Development of an integrated aeroservoelastic analysis program and correlation with test data

NASA Technical Reports Server (NTRS)

Gupta, K. K.; Brenner, M. J.; Voelker, L. S.

1991-01-01

The details and results are presented of the general-purpose finite element STructural Analysis RoutineS (STARS) to perform a complete linear aeroelastic and aeroservoelastic analysis. The earlier version of the STARS computer program enabled effective finite element modeling as well as static, vibration, buckling, and dynamic response of damped and undamped systems, including those with pre-stressed and spinning structures. Additions to the STARS program include aeroelastic modeling for flutter and divergence solutions, and hybrid control system augmentation for aeroservoelastic analysis. Numerical results of the X-29A aircraft pertaining to vibration, flutter-divergence, and open- and closed-loop aeroservoelastic controls analysis are compared to ground vibration, wind-tunnel, and flight-test results. The open- and closed-loop aeroservoelastic control analyses are based on a hybrid formulation representing the interaction of structural, aerodynamic, and flight-control dynamics.

Dynamic Undergraduate Climate Change Affinity Program: University of Delaware Climate Program for Undergraduates (CPUG)

NASA Astrophysics Data System (ADS)

Merrill, J.

2017-12-01

Multidisciplinary undergraduate climate change education is critical for students entering any sector of the workforce. The University of Delaware has developed a new interdisciplinary affinity program—UD Climate Program for Undergraduates (CPUG)—open to undergraduate students of all majors to provide a comprehensive educational experience designed to educate skilled climate change problem-solvers for a wide range of professional careers. The program is designed to fulfill all General Education requirements, and includes a residential community commitment and experiential learning in community outreach and problem solving. Seminars will introduce current popular press and research materials and provide practice in confirming source credibility, communications training, and psychological support, as well as team building. As undergraduates, members of the UD CPUG team will define, describe, and develop a solution or solutions for a pressing local climate challenge that has the potential for global impact. The choice of a challenge and approach to addressing it will be guided by the student's advisor. Students are expected to develop a practical, multidisciplinary solution to address the challenge as defined, using their educational and experiential training. Solutions will be presented to the UD community during the spring semester of their senior year, as a collaborative team solution, with enhancement through individual portfolios from each team member. The logic model, structure, curricular and co-curricular supports for the CPUG will be provided. Mechanisms of support available through University administration will also be discussed.

Software Acquisition Program Dynamics

DTIC Science & Technology

2011-10-24

greatest capability, which requires latest technologies • Contractors prefer using latest technologies to boost staff competency for future bids Risk...mistakes Build foundation to test future mitigation/solution approaches to assess value • Qualitatively validate new approaches before applying them to...classroom training, eLearning , certification, and more—to serve the needs of customers and partners worldwide.

Order-Constrained Solutions in K-Means Clustering: Even Better than Being Globally Optimal

ERIC Educational Resources Information Center

Steinley, Douglas; Hubert, Lawrence

2008-01-01

This paper proposes an order-constrained K-means cluster analysis strategy, and implements that strategy through an auxiliary quadratic assignment optimization heuristic that identifies an initial object order. A subsequent dynamic programming recursion is applied to optimally subdivide the object set subject to the order constraint. We show that…

Common Ground for Action Software and Professional Development to Support Online Deliberation in Classrooms

ERIC Educational Resources Information Center

Christelle, Andrea; Dillard, Kara N.; Lindaman, Kara

2018-01-01

The Common Ground for Action (CGA) online deliberation platform is a dynamic tool designed to encourage diverse group members to identify collective responses to deeply controversial or "wicked" public problems that have no simple solution. The program promotes authentic deliberation, while minimizing the tactics of horse-trading and…

Dark Solitons for the Defocusing Cubic Nonlinear Schrödinger Equation with the Spatially Periodic Potential and Nonlinearity

NASA Astrophysics Data System (ADS)

Yan, Zhen-Ya; Yan, Fang-Chi

2015-09-01

We study the existence of dark solitons of the defocusing cubic nonlinear Schrödinger (NLS) eqaution with the spatially-periodic potential and nonlinearity. Firstly, we propose six families of upper and lower solutions of the dynamical systems arising from the stationary defocusing NLS equation. Secondly, by regarding a dark soliton as a heteroclinic orbit of the Poincaré map, we present some constraint conditions for the periodic potential and nonlinearity to show the existence of stationary dark solitons of the defocusing NLS equation for six different cases in terms of the theory of strict lower and upper solutions and the dynamics of planar homeomorphisms. Finally, we give the explicit dark solitons of the defocusing NLS equation with the chosen periodic potential and nonlinearity. Supported by the National Natural Science Foundation of China under Grant No. 61178091, the National Key Basic Research Program of China under Grant No. 2011CB302400, and the Open Project Program of State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, China under Grant No. Y4KF211CJ1

Inflated speedups in parallel simulations via malloc()

NASA Technical Reports Server (NTRS)

Nicol, David M.

1990-01-01

Discrete-event simulation programs make heavy use of dynamic memory allocation in order to support simulation's very dynamic space requirements. When programming in C one is likely to use the malloc() routine. However, a parallel simulation which uses the standard Unix System V malloc() implementation may achieve an overly optimistic speedup, possibly superlinear. An alternate implementation provided on some (but not all systems) can avoid the speedup anomaly, but at the price of significantly reduced available free space. This is especially severe on most parallel architectures, which tend not to support virtual memory. It is shown how a simply implemented user-constructed interface to malloc() can both avoid artificially inflated speedups, and make efficient use of the dynamic memory space. The interface simply catches blocks on the basis of their size. The problem is demonstrated empirically, and the effectiveness of the solution is shown both empirically and analytically.

Replicator equations, maximal cliques, and graph isomorphism.

PubMed

Pelillo, M

1999-11-15

We present a new energy-minimization framework for the graph isomorphism problem that is based on an equivalent maximum clique formulation. The approach is centered around a fundamental result proved by Motzkin and Straus in the mid-1960s, and recently expanded in various ways, which allows us to formulate the maximum clique problem in terms of a standard quadratic program. The attractive feature of this formulation is that a clear one-to-one correspondence exists between the solutions of the quadratic program and those in the original, combinatorial problem. To solve the program we use the so-called replicator equations--a class of straightforward continuous- and discrete-time dynamical systems developed in various branches of theoretical biology. We show how, despite their inherent inability to escape from local solutions, they nevertheless provide experimental results that are competitive with those obtained using more elaborate mean-field annealing heuristics.

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.

Sensitivity analysis of dynamic biological systems with time-delays.

PubMed

Wu, Wu Hsiung; Wang, Feng Sheng; Chang, Maw Shang

2010-10-15

Mathematical modeling has been applied to the study and analysis of complex biological systems for a long time. Some processes in biological systems, such as the gene expression and feedback control in signal transduction networks, involve a time delay. These systems are represented as delay differential equation (DDE) models. Numerical sensitivity analysis of a DDE model by the direct method requires the solutions of model and sensitivity equations with time-delays. The major effort is the computation of Jacobian matrix when computing the solution of sensitivity equations. The computation of partial derivatives of complex equations either by the analytic method or by symbolic manipulation is time consuming, inconvenient, and prone to introduce human errors. To address this problem, an automatic approach to obtain the derivatives of complex functions efficiently and accurately is necessary. We have proposed an efficient algorithm with an adaptive step size control to compute the solution and dynamic sensitivities of biological systems described by ordinal differential equations (ODEs). The adaptive direct-decoupled algorithm is extended to solve the solution and dynamic sensitivities of time-delay systems describing by DDEs. To save the human effort and avoid the human errors in the computation of partial derivatives, an automatic differentiation technique is embedded in the extended algorithm to evaluate the Jacobian matrix. The extended algorithm is implemented and applied to two realistic models with time-delays: the cardiovascular control system and the TNF-α signal transduction network. The results show that the extended algorithm is a good tool for dynamic sensitivity analysis on DDE models with less user intervention. By comparing with direct-coupled methods in theory, the extended algorithm is efficient, accurate, and easy to use for end users without programming background to do dynamic sensitivity analysis on complex biological systems with time-delays.

ELAS: A general-purpose computer program for the equilibrium problems of linear structures. Volume 2: Documentation of the program. [subroutines and flow charts

NASA Technical Reports Server (NTRS)

Utku, S.

1969-01-01

A general purpose digital computer program for the in-core solution of linear equilibrium problems of structural mechanics is documented. The program requires minimum input for the description of the problem. The solution is obtained by means of the displacement method and the finite element technique. Almost any geometry and structure may be handled because of the availability of linear, triangular, quadrilateral, tetrahedral, hexahedral, conical, triangular torus, and quadrilateral torus elements. The assumption of piecewise linear deflection distribution insures monotonic convergence of the deflections from the stiffer side with decreasing mesh size. The stresses are provided by the best-fit strain tensors in the least squares at the mesh points where the deflections are given. The selection of local coordinate systems whenever necessary is automatic. The core memory is used by means of dynamic memory allocation, an optional mesh-point relabelling scheme and imposition of the boundary conditions during the assembly time.

Computer program documentation for the dynamic analysis of a noncontacting mechanical face seal

NASA Technical Reports Server (NTRS)

Auer, B. M.; Etsion, I.

1980-01-01

A computer program is presented which achieves a numerical solution for the equations of motion of a noncontacting mechanical face seal. The flexibly-mounted primary seal ring motion is expressed by a set of second order differential equations for three degrees of freedom. These equations are reduced to a set of first order equations and the GEAR software package is used to solve the set of first order equations. Program input includes seal design parameters and seal operating conditions. Output from the program includes velocities and displacements of the seal ring about the axis of an inertial reference system. One example problem is described.

Optimal approach to quantum communication using dynamic programming.

PubMed

Jiang, Liang; Taylor, Jacob M; Khaneja, Navin; Lukin, Mikhail D

2007-10-30

Reliable preparation of entanglement between distant systems is an outstanding problem in quantum information science and quantum communication. In practice, this has to be accomplished by noisy channels (such as optical fibers) that generally result in exponential attenuation of quantum signals at large distances. A special class of quantum error correction protocols, quantum repeater protocols, can be used to overcome such losses. In this work, we introduce a method for systematically optimizing existing protocols and developing more efficient protocols. Our approach makes use of a dynamic programming-based searching algorithm, the complexity of which scales only polynomially with the communication distance, letting us efficiently determine near-optimal solutions. We find significant improvements in both the speed and the final-state fidelity for preparing long-distance entangled states.

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.

Program Review Challenges and Opportunities for Training the Next Generation of Biophysicists: Perspectives of the Directors of the Molecular Biophysics Training Program at Northwestern University

PubMed Central

Neuhaus, Francis; Widom, Jonathan; MacDonald, Robert; Jardetzky, Theodore; Radhakrishnan, Ishwar

2009-01-01

Molecular biophysics is a broad, diverse, and dynamic field that has presented a variety of unique challenges and opportunities for training future generations of investigators. Having been or currently being intimately associated with the Molecular Biophysics Training Program at Northwestern, we present our perspectives on various issues that we have encountered over the years. We propose no cookie-cutter solutions, as there is no consensus on what constitutes the “ideal” program. However, there is uniformity in opinion on some key issues that might be useful to those interested in establishing a biophysics training program. PMID:18293401

Nonlinear Boltzmann equation for the homogeneous isotropic case: Minimal deterministic Matlab program

NASA Astrophysics Data System (ADS)

Asinari, Pietro

2010-10-01

The homogeneous isotropic Boltzmann equation (HIBE) is a fundamental dynamic model for many applications in thermodynamics, econophysics and sociodynamics. Despite recent hardware improvements, the solution of the Boltzmann equation remains extremely challenging from the computational point of view, in particular by deterministic methods (free of stochastic noise). This work aims to improve a deterministic direct method recently proposed [V.V. Aristov, Kluwer Academic Publishers, 2001] for solving the HIBE with a generic collisional kernel and, in particular, for taking care of the late dynamics of the relaxation towards the equilibrium. Essentially (a) the original problem is reformulated in terms of particle kinetic energy (exact particle number and energy conservation during microscopic collisions) and (b) the computation of the relaxation rates is improved by the DVM-like correction, where DVM stands for Discrete Velocity Model (ensuring that the macroscopic conservation laws are exactly satisfied). Both these corrections make possible to derive very accurate reference solutions for this test case. Moreover this work aims to distribute an open-source program (called HOMISBOLTZ), which can be redistributed and/or modified for dealing with different applications, under the terms of the GNU General Public License. The program has been purposely designed in order to be minimal, not only with regards to the reduced number of lines (less than 1000), but also with regards to the coding style (as simple as possible). Program summaryProgram title: HOMISBOLTZ Catalogue identifier: AEGN_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGN_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License No. of lines in distributed program, including test data, etc.: 23 340 No. of bytes in distributed program, including test data, etc.: 7 635 236 Distribution format: tar.gz Programming language: Tested with Matlab version ⩽6.5. However, in principle, any recent version of Matlab or Octave should work Computer: All supporting Matlab or Octave Operating system: All supporting Matlab or Octave RAM: 300 MBytes Classification: 23 Nature of problem: The problem consists in integrating the homogeneous Boltzmann equation for a generic collisional kernel in case of isotropic symmetry, by a deterministic direct method. Difficulties arise from the multi-dimensionality of the collisional operator and from satisfying the conservation of particle number and energy (momentum is trivial for this test case) as accurately as possible, in order to preserve the late dynamics. Solution method: The solution is based on the method proposed by Aristov (2001) [1], but with two substantial improvements: (a) the original problem is reformulated in terms of particle kinetic energy (this allows one to ensure exact particle number and energy conservation during microscopic collisions) and (b) a DVM-like correction (where DVM stands for Discrete Velocity Model) is adopted for improving the relaxation rates (this allows one to satisfy exactly the conservation laws at macroscopic level, which is particularly important for describing the late dynamics in the relaxation towards the equilibrium). Both these corrections make possible to derive very accurate reference solutions for this test case. Restrictions: The nonlinear Boltzmann equation is extremely challenging from the computational point of view, in particular for deterministic methods, despite the increased computational power of recent hardware. In this work, only the homogeneous isotropic case is considered, for making possible the development of a minimal program (by a simple scripting language) and allowing the user to check the advantages of the proposed improvements beyond Aristov's (2001) method [1]. The initial conditions are supposed parameterized according to a fixed analytical expression, but this can be easily modified. Running time: From minutes to hours (depending on the adopted discretization of the kinetic energy space). For example, on a 64 bit workstation with Intel CoreTM i7-820Q Quad Core CPU at 1.73 GHz and 8 MBytes of RAM, the provided test run (with the corresponding binary data file storing the pre-computed relaxation rates) requires 154 seconds. References:V.V. Aristov, Direct Methods for Solving the Boltzmann Equation and Study of Nonequilibrium Flows, Kluwer Academic Publishers, 2001.

Long-time stability effects of quadrature and artificial viscosity on nodal discontinuous Galerkin methods for gas dynamics

NASA Astrophysics Data System (ADS)

Durant, Bradford; Hackl, Jason; Balachandar, Sivaramakrishnan

2017-11-01

Nodal discontinuous Galerkin schemes present an attractive approach to robust high-order solution of the equations of fluid mechanics, but remain accompanied by subtle challenges in their consistent stabilization. The effect of quadrature choices (full mass matrix vs spectral elements), over-integration to manage aliasing errors, and explicit artificial viscosity on the numerical solution of a steady homentropic vortex are assessed over a wide range of resolutions and polynomial orders using quadrilateral elements. In both stagnant and advected vortices in periodic and non-periodic domains the need arises for explicit stabilization beyond the numerical surface fluxes of discontinuous Galerkin spectral elements. Artificial viscosity via the entropy viscosity method is assessed as a stabilizing mechanism. It is shown that the regularity of the artificial viscosity field is essential to its use for long-time stabilization of small-scale features in nodal discontinuous Galerkin solutions of the Euler equations of gas dynamics. Supported by the Department of Energy Predictive Science Academic Alliance Program Contract DE-NA0002378.

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.

Simulations of pattern dynamics for reaction-diffusion systems via SIMULINK

PubMed Central

2014-01-01

Background Investigation of the nonlinear pattern dynamics of a reaction-diffusion system almost always requires numerical solution of the system’s set of defining differential equations. Traditionally, this would be done by selecting an appropriate differential equation solver from a library of such solvers, then writing computer codes (in a programming language such as C or Matlab) to access the selected solver and display the integrated results as a function of space and time. This “code-based” approach is flexible and powerful, but requires a certain level of programming sophistication. A modern alternative is to use a graphical programming interface such as Simulink to construct a data-flow diagram by assembling and linking appropriate code blocks drawn from a library. The result is a visual representation of the inter-relationships between the state variables whose output can be made completely equivalent to the code-based solution. Results As a tutorial introduction, we first demonstrate application of the Simulink data-flow technique to the classical van der Pol nonlinear oscillator, and compare Matlab and Simulink coding approaches to solving the van der Pol ordinary differential equations. We then show how to introduce space (in one and two dimensions) by solving numerically the partial differential equations for two different reaction-diffusion systems: the well-known Brusselator chemical reactor, and a continuum model for a two-dimensional sheet of human cortex whose neurons are linked by both chemical and electrical (diffusive) synapses. We compare the relative performances of the Matlab and Simulink implementations. Conclusions The pattern simulations by Simulink are in good agreement with theoretical predictions. Compared with traditional coding approaches, the Simulink block-diagram paradigm reduces the time and programming burden required to implement a solution for reaction-diffusion systems of equations. Construction of the block-diagram does not require high-level programming skills, and the graphical interface lends itself to easy modification and use by non-experts. PMID:24725437

Simulations of pattern dynamics for reaction-diffusion systems via SIMULINK.

PubMed

Wang, Kaier; Steyn-Ross, Moira L; Steyn-Ross, D Alistair; Wilson, Marcus T; Sleigh, Jamie W; Shiraishi, Yoichi

2014-04-11

Investigation of the nonlinear pattern dynamics of a reaction-diffusion system almost always requires numerical solution of the system's set of defining differential equations. Traditionally, this would be done by selecting an appropriate differential equation solver from a library of such solvers, then writing computer codes (in a programming language such as C or Matlab) to access the selected solver and display the integrated results as a function of space and time. This "code-based" approach is flexible and powerful, but requires a certain level of programming sophistication. A modern alternative is to use a graphical programming interface such as Simulink to construct a data-flow diagram by assembling and linking appropriate code blocks drawn from a library. The result is a visual representation of the inter-relationships between the state variables whose output can be made completely equivalent to the code-based solution. As a tutorial introduction, we first demonstrate application of the Simulink data-flow technique to the classical van der Pol nonlinear oscillator, and compare Matlab and Simulink coding approaches to solving the van der Pol ordinary differential equations. We then show how to introduce space (in one and two dimensions) by solving numerically the partial differential equations for two different reaction-diffusion systems: the well-known Brusselator chemical reactor, and a continuum model for a two-dimensional sheet of human cortex whose neurons are linked by both chemical and electrical (diffusive) synapses. We compare the relative performances of the Matlab and Simulink implementations. The pattern simulations by Simulink are in good agreement with theoretical predictions. Compared with traditional coding approaches, the Simulink block-diagram paradigm reduces the time and programming burden required to implement a solution for reaction-diffusion systems of equations. Construction of the block-diagram does not require high-level programming skills, and the graphical interface lends itself to easy modification and use by non-experts.

Scala Roles: Reusable Object Collaborations in a Library

NASA Astrophysics Data System (ADS)

Pradel, Michael; Odersky, Martin

Purely class-based implementations of object-oriented software are often inappropriate for reuse. In contrast, the notion of objects playing roles in a collaboration has been proven to be a valuable reuse abstraction. However, existing solutions to enable role-based programming tend to require vast extensions of the underlying programming language, and thus, are difficult to use in every day work. We present a programming technique, based on dynamic proxies, that allows to augment an object’s type at runtime while preserving strong static type safety. It enables role-based implementations that lead to more reuse and better separation of concerns.

Users manual for the Variable dimension Automatic Synthesis Program (VASP)

NASA Technical Reports Server (NTRS)

White, J. S.; Lee, H. Q.

1971-01-01

A dictionary and some problems for the Variable Automatic Synthesis Program VASP are submitted. The dictionary contains a description of each subroutine and instructions on its use. The example problems give the user a better perspective on the use of VASP for solving problems in modern control theory. These example problems include dynamic response, optimal control gain, solution of the sampled data matrix Ricatti equation, matrix decomposition, and pseudo inverse of a matrix. Listings of all subroutines are also included. The VASP program has been adapted to run in the conversational mode on the Ames 360/67 computer.

Blade loss transient dynamics analysis, volume 2. Task 2: Theoretical and analytical development. Task 3: Experimental verification

NASA Technical Reports Server (NTRS)

Gallardo, V. C.; Storace, A. S.; Gaffney, E. F.; Bach, L. J.; Stallone, M. J.

1981-01-01

The component element method was used to develop a transient dynamic analysis computer program which is essentially based on modal synthesis combined with a central, finite difference, numerical integration scheme. The methodology leads to a modular or building-block technique that is amenable to computer programming. To verify the analytical method, turbine engine transient response analysis (TETRA), was applied to two blade-out test vehicles that had been previously instrumented and tested. Comparison of the time dependent test data with those predicted by TETRA led to recommendations for refinement or extension of the analytical method to improve its accuracy and overcome its shortcomings. The development of working equations, their discretization, numerical solution scheme, the modular concept of engine modelling, the program logical structure and some illustrated results are discussed. The blade-loss test vehicles (rig full engine), the type of measured data, and the engine structural model are described.

Restructurable VLSI Program

DTIC Science & Technology

1981-03-31

logic testing element and a concomitant testability criterion ideally suited to dynamic circuit applications and appro- priate for automatic computer...making connections automatically . PF is an experimental feature which provides users with only four different chip sizes (full, half, quarter, and eighth...initial solution is found constructively which is improved by pair-wise swapping. Results show, however, that the constructive initial sorter , which

Active Learning Methods in Programming for Non-IT Students

ERIC Educational Resources Information Center

Mironova, Olga; Amitan, Irina; Vilipõld, Jüri; Saar, Merike

2016-01-01

The purpose of this study is to demonstrate a teaching approach and some teaching strategies in an Informatics course for the first-year non-IT students at the Department of Informatics of Tallinn University of Technology, Estonia. The authors suggest some solutions for making the course, which is usually complicated, more dynamic and attractive,…

A Dynamic Programming Approach to Identifying the Shortest Path in Virtual Learning Environments

ERIC Educational Resources Information Center

Fazlollahtabar, Hamed

2008-01-01

E-learning has been widely adopted as a promising solution by many organizations to offer learning-on-demand opportunities to individual employees (learners) in order to reduce training time and cost. While successful information systems models have received much attention among researchers, little research has been conducted to assess the success…

Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics.

PubMed

van den Broek, Karina; Kuhn, Hubert; Zielesny, Achim

2018-05-21

Jdpd is an open Java simulation kernel for Molecular Fragment Dissipative Particle Dynamics with parallelizable force calculation, efficient caching options and fast property calculations. It is characterized by an interface and factory-pattern driven design for simple code changes and may help to avoid problems of polyglot programming. Detailed input/output communication, parallelization and process control as well as internal logging capabilities for debugging purposes are supported. The new kernel may be utilized in different simulation environments ranging from flexible scripting solutions up to fully integrated "all-in-one" simulation systems.

Dynamics of column stability with partial end restraints

NASA Technical Reports Server (NTRS)

Gregory, Peyton B.

1990-01-01

The dynamic behavior of columns with partial end restraints and loads consisting of a dead load and a pulsating load are investigated. The differential equation is solved using a lumped impulse recurrence formula relative to time coupled with a finite difference discretization along the member length. A computer program is written from which the first critical frequencies are found as a function of end stiffness. The case of a pinned ended column compares very well with the exact solution. Also, the natural frequency and buckling load formulas are derived for equal and unequal end restraints.

Tenth NASTRAN User's Colloquium

NASA Technical Reports Server (NTRS)

1982-01-01

The development of the NASTRAN computer program, a general purpose finite element computer code for structural analysis, was discussed. The application and development of NASTRAN is presented in the following topics: improvements and enhancements; developments of pre and postprocessors; interactive review system; the use of harmonic expansions in magnetic field problems; improving a dynamic model with test data using Linwood; solution of axisymmetric fluid structure interaction problems; large displacements and stability analysis of nonlinear propeller structures; prediction of bead area contact load at the tire wheel interface; elastic plastic analysis of an overloaded breech ring; finite element solution of torsion and other 2-D Poisson equations; new capability for elastic aircraft airloads; usage of substructuring analysis in the get away special program; solving symmetric structures with nonsymmetric loads; evaluation and reduction of errors induced by Guyan transformation.

A Multiobjective Optimization Framework for Online Stochastic Optimal Control in Hybrid Electric Vehicles

DOE PAGES

Malikopoulos, Andreas

2015-01-01

The increasing urgency to extract additional efficiency from hybrid propulsion systems has led to the development of advanced power management control algorithms. In this paper we address the problem of online optimization of the supervisory power management control in parallel hybrid electric vehicles (HEVs). We model HEV operation as a controlled Markov chain and we show that the control policy yielding the Pareto optimal solution minimizes online the long-run expected average cost per unit time criterion. The effectiveness of the proposed solution is validated through simulation and compared to the solution derived with dynamic programming using the average cost criterion.more » Both solutions achieved the same cumulative fuel consumption demonstrating that the online Pareto control policy is an optimal control policy.« less

GPU accelerated dynamic functional connectivity analysis for functional MRI data.

PubMed

Akgün, Devrim; Sakoğlu, Ünal; Esquivel, Johnny; Adinoff, Bryon; Mete, Mutlu

2015-07-01

Recent advances in multi-core processors and graphics card based computational technologies have paved the way for an improved and dynamic utilization of parallel computing techniques. Numerous applications have been implemented for the acceleration of computationally-intensive problems in various computational science fields including bioinformatics, in which big data problems are prevalent. In neuroimaging, dynamic functional connectivity (DFC) analysis is a computationally demanding method used to investigate dynamic functional interactions among different brain regions or networks identified with functional magnetic resonance imaging (fMRI) data. In this study, we implemented and analyzed a parallel DFC algorithm based on thread-based and block-based approaches. The thread-based approach was designed to parallelize DFC computations and was implemented in both Open Multi-Processing (OpenMP) and Compute Unified Device Architecture (CUDA) programming platforms. Another approach developed in this study to better utilize CUDA architecture is the block-based approach, where parallelization involves smaller parts of fMRI time-courses obtained by sliding-windows. Experimental results showed that the proposed parallel design solutions enabled by the GPUs significantly reduce the computation time for DFC analysis. Multicore implementation using OpenMP on 8-core processor provides up to 7.7× speed-up. GPU implementation using CUDA yielded substantial accelerations ranging from 18.5× to 157× speed-up once thread-based and block-based approaches were combined in the analysis. Proposed parallel programming solutions showed that multi-core processor and CUDA-supported GPU implementations accelerated the DFC analyses significantly. Developed algorithms make the DFC analyses more practical for multi-subject studies with more dynamic analyses. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

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

Blanford, M.

1997-12-31

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

Noninvasive fetal QRS detection using an echo state network and dynamic programming.

PubMed

Lukoševičius, Mantas; Marozas, Vaidotas

2014-08-01

We address a classical fetal QRS detection problem from abdominal ECG recordings with a data-driven statistical machine learning approach. Our goal is to have a powerful, yet conceptually clean, solution. There are two novel key components at the heart of our approach: an echo state recurrent neural network that is trained to indicate fetal QRS complexes, and several increasingly sophisticated versions of statistics-based dynamic programming algorithms, which are derived from and rooted in probability theory. We also employ a standard technique for preprocessing and removing maternal ECG complexes from the signals, but do not take this as the main focus of this work. The proposed approach is quite generic and can be extended to other types of signals and annotations. Open-source code is provided.

An assessment of separable fluid connector system parameters to perform a connector system design optimization study

NASA Technical Reports Server (NTRS)

Prasthofer, W. P.

1974-01-01

The key to optimization of design where there are a large number of variables, all of which may not be known precisely, lies in the mathematical tool of dynamic programming developed by Bellman. This methodology can lead to optimized solutions to the design of critical systems in a minimum amount of time, even when there are a great number of acceptable configurations to be considered. To demonstrate the usefulness of dynamic programming, an analytical method is developed for evaluating the relationship among existing numerous connector designs to find the optimum configuration. The data utilized in the study were generated from 900 flanges designed for six subsystems of the S-1B stage of the Saturn 1B space carrier vehicle.

Dynamic Programming and Error Estimates for Stochastic Control Problems with Maximum Cost

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

Bokanowski, Olivier, E-mail: boka@math.jussieu.fr; Picarelli, Athena, E-mail: athena.picarelli@inria.fr; Zidani, Hasnaa, E-mail: hasnaa.zidani@ensta.fr

2015-02-15

This work is concerned with stochastic optimal control for a running maximum cost. A direct approach based on dynamic programming techniques is studied leading to the characterization of the value function as the unique viscosity solution of a second order Hamilton–Jacobi–Bellman (HJB) equation with an oblique derivative boundary condition. A general numerical scheme is proposed and a convergence result is provided. Error estimates are obtained for the semi-Lagrangian scheme. These results can apply to the case of lookback options in finance. Moreover, optimal control problems with maximum cost arise in the characterization of the reachable sets for a system ofmore » controlled stochastic differential equations. Some numerical simulations on examples of reachable analysis are included to illustrate our approach.« less

ORAC: a molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level.

PubMed

Marsili, Simone; Signorini, Giorgio Federico; Chelli, Riccardo; Marchi, Massimo; Procacci, Piero

2010-04-15

We present the new release of the ORAC engine (Procacci et al., Comput Chem 1997, 18, 1834), a FORTRAN suite to simulate complex biosystems at the atomistic level. The previous release of the ORAC code included multiple time steps integration, smooth particle mesh Ewald method, constant pressure and constant temperature simulations. The present release has been supplemented with the most advanced techniques for enhanced sampling in atomistic systems including replica exchange with solute tempering, metadynamics and steered molecular dynamics. All these computational technologies have been implemented for parallel architectures using the standard MPI communication protocol. ORAC is an open-source program distributed free of charge under the GNU general public license (GPL) at http://www.chim.unifi.it/orac. 2009 Wiley Periodicals, Inc.

Dynamics of pH modification of an acidic protein bait used for tropical fruit flies (Diptera: Tephritidae).

PubMed

Heath, Robert R; Vazquez, Aime; Schnell, Elena Q; Villareal, Janett; Kendra, Paul E; Epsky, Nancy D

2009-12-01

Several species of Anastrepha and Bactrocera fruit flies (Diptera: Tephritidae) are captured in traps baited with the protein bait NuLure combined with borax (sodium tetraborate decahydrate) in an aqueous solution, typically 9% NuLure (vol:vol) with 3% borax (wt:vol). NuLure is an acid hydrolysate of corn and has an acidic pH. Addition of borax makes the solution more alkaline, and increase in alkalinity results in increase of ammonia release from the bait solution. This is a very dynamic system, with resultant pH affected by factors such as the amount of borax added, the pH of the water used for preparation, the age of the bait solution, and the development of microbial growth. Problems with borax include amount needed to increase alkalinity of NuLure solutions, which creates difficulties in disposing of spent bait in fruit fly trapping programs. Therefore, research was conducted to evaluate NaOH as an alternative method to increase alkalinity of NuLure solutions. Laboratory experiments compared effect of NaOH versus borax for pH modification on changes in pH and ammonia content of NuLure solutions over time. Although NuLure/NaOH solutions could be adjusted to a more alkaline pH than NuLure/borax solutions, borax plays a critical role in pH stability over time. However, the pH of NuLure/NaOH is stabilized when propylene glycol (10% vol:vol) was used to prepare the bait solution. The use of NaOH can provide an alternative to the use of borax to increase bait solution alkalinity.

Boundary Control of Linear Uncertain 1-D Parabolic PDE Using Approximate Dynamic Programming.

PubMed

Talaei, Behzad; Jagannathan, Sarangapani; Singler, John

2018-04-01

This paper develops a near optimal boundary control method for distributed parameter systems governed by uncertain linear 1-D parabolic partial differential equations (PDE) by using approximate dynamic programming. A quadratic surface integral is proposed to express the optimal cost functional for the infinite-dimensional state space. Accordingly, the Hamilton-Jacobi-Bellman (HJB) equation is formulated in the infinite-dimensional domain without using any model reduction. Subsequently, a neural network identifier is developed to estimate the unknown spatially varying coefficient in PDE dynamics. Novel tuning law is proposed to guarantee the boundedness of identifier approximation error in the PDE domain. A radial basis network (RBN) is subsequently proposed to generate an approximate solution for the optimal surface kernel function online. The tuning law for near optimal RBN weights is created, such that the HJB equation error is minimized while the dynamics are identified and closed-loop system remains stable. Ultimate boundedness (UB) of the closed-loop system is verified by using the Lyapunov theory. The performance of the proposed controller is successfully confirmed by simulation on an unstable diffusion-reaction process.

Forecast horizon of multi-item dynamic lot size model with perishable inventory.

PubMed

Jing, Fuying; Lan, Zirui

2017-01-01

This paper studies a multi-item dynamic lot size problem for perishable products where stock deterioration rates and inventory costs are age-dependent. We explore structural properties in an optimal solution under two cost structures and develop a dynamic programming algorithm to solve the problem in polynomial time when the number of products is fixed. We establish forecast horizon results that can help the operation manager to decide the precise forecast horizon in a rolling decision-making process. Finally, based on a detailed test bed of instance, we obtain useful managerial insights on the impact of deterioration rate and lifetime of products on the length of forecast horizon.

Forecast horizon of multi-item dynamic lot size model with perishable inventory

PubMed Central

Jing, Fuying

2017-01-01

This paper studies a multi-item dynamic lot size problem for perishable products where stock deterioration rates and inventory costs are age-dependent. We explore structural properties in an optimal solution under two cost structures and develop a dynamic programming algorithm to solve the problem in polynomial time when the number of products is fixed. We establish forecast horizon results that can help the operation manager to decide the precise forecast horizon in a rolling decision-making process. Finally, based on a detailed test bed of instance, we obtain useful managerial insights on the impact of deterioration rate and lifetime of products on the length of forecast horizon. PMID:29125856

Solitary wave solutions of two-dimensional nonlinear Kadomtsev-Petviashvili dynamic equation in dust-acoustic plasmas

NASA Astrophysics Data System (ADS)

Seadawy, Aly R.

2017-09-01

Nonlinear two-dimensional Kadomtsev-Petviashvili (KP) equation governs the behaviour of nonlinear waves in dusty plasmas with variable dust charge and two temperature ions. By using the reductive perturbation method, the two-dimensional dust-acoustic solitary waves (DASWs) in unmagnetized cold plasma consisting of dust fluid, ions and electrons lead to a KP equation. We derived the solitary travelling wave solutions of the two-dimensional nonlinear KP equation by implementing sech-tanh, sinh-cosh, extended direct algebraic and fraction direct algebraic methods. We found the electrostatic field potential and electric field in the form travelling wave solutions for two-dimensional nonlinear KP equation. The solutions for the KP equation obtained by using these methods can be demonstrated precisely and efficiency. As an illustration, we used the readymade package of Mathematica program 10.1 to solve the original problem. These solutions are in good agreement with the analytical one.

Construction, MD simulation, and hydrodynamic validation of an all-atom model of a monoclonal IgG antibody.

PubMed

Brandt, J Paul; Patapoff, Thomas W; Aragon, Sergio R

2010-08-04

At 150 kDa, antibodies of the IgG class are too large for their structure to be determined with current NMR methodologies. Because of hinge-region flexibility, it is difficult to obtain atomic-level structural information from the crystal, and questions regarding antibody structure and dynamics in solution remain unaddressed. Here we describe the construction of a model of a human IgG1 monoclonal antibody (trastuzumab) from the crystal structures of fragments. We use a combination of molecular-dynamics (MD) simulation, continuum hydrodynamics modeling, and experimental diffusion measurements to explore antibody behavior in aqueous solution. Hydrodynamic modeling provides a link between the atomic-level details of MD simulation and the size- and shape-dependent data provided by hydrodynamic measurements. Eight independent 40 ns MD trajectories were obtained with the AMBER program suite. The ensemble average of the computed transport properties over all of the MD trajectories agrees remarkably well with the value of the translational diffusion coefficient obtained with dynamic light scattering at 20 degrees C and 27 degrees C, and the intrinsic viscosity measured at 20 degrees C. Therefore, our MD results likely represent a realistic sampling of the conformational space that an antibody explores in aqueous solution. 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

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

SARDA Surface Schedulers

NASA Technical Reports Server (NTRS)

Malik, Waqar

2016-01-01

Provide an overview of algorithms used in SARDA (Spot and Runway Departure Advisor) HITL (Human-in-the-Loop) simulation for Dallas Fort-Worth International Airport and Charlotte Douglas International airport. Outline a multi-objective dynamic programming (DP) based algorithm that finds the exact solution to the single runway scheduling (SRS) problem, and discuss heuristics to restrict the search space for the DP based algorithm and provide improvements.

Quantum-Inspired Maximizer

NASA Technical Reports Server (NTRS)

Zak, Michail

2008-01-01

A report discusses an algorithm for a new kind of dynamics based on a quantum- classical hybrid-quantum-inspired maximizer. The model is represented by a modified Madelung equation in which the quantum potential is replaced by different, specially chosen 'computational' potential. As a result, the dynamics attains both quantum and classical properties: it preserves superposition and entanglement of random solutions, while allowing one to measure its state variables, using classical methods. Such optimal combination of characteristics is a perfect match for quantum-inspired computing. As an application, an algorithm for global maximum of an arbitrary integrable function is proposed. The idea of the proposed algorithm is very simple: based upon the Quantum-inspired Maximizer (QIM), introduce a positive function to be maximized as the probability density to which the solution is attracted. Then the larger value of this function will have the higher probability to appear. Special attention is paid to simulation of integer programming and NP-complete problems. It is demonstrated that the problem of global maximum of an integrable function can be found in polynomial time by using the proposed quantum- classical hybrid. The result is extended to a constrained maximum with applications to integer programming and TSP (Traveling Salesman Problem).

Education Program for Ph.D. Course to Cultivate Literacy and Competency

NASA Astrophysics Data System (ADS)

Yokono, Yasuyuki; Mitsuishi, Mamoru

The program aims to cultivate internationally competitive young researchers equipped with Fundamental attainment (mathematics, physics, chemistry and biology, and fundamental social sciences) , Specialized knowledge (mechanical dynamics, mechanics of materials, hydrodynamics, thermodynamics, design engineering, manufacturing engineering and material engineering, and bird‧s-eye view knowledge on technology, society and the environment) , Literacy (Language, information literacy, technological literacy and knowledge of the law) and Competency (Creativity, problem identification and solution, planning and execution, self-management, teamwork, leadership, sense of responsibility and sense of duty) to become future leaders in industry and academia.

Spectrum of Slow and Super-Slow (Picosecond to Nanosecond) Water Dynamics around Organic and Biological Solutes.

PubMed

Ramakrishnan, Gopakumar; González-Jiménez, Mario; Lapthorn, Adrian J; Wynne, Klaas

2017-07-06

Water dynamics in the solvation shell of solutes plays a very important role in the interaction of biomolecules and in chemical reaction dynamics. However, a selective spectroscopic study of the solvation shell is difficult because of the interference of the solute dynamics. Here we report on the observation of heavily slowed down water dynamics in the solvation shell of different solutes by measuring the low-frequency spectrum of solvation water, free from the contribution of the solute. A slowdown factor of ∼50 is observed even for relatively low concentrations of the solute. We go on to show that the effect can be generalized to different solutes including proteins.

Stabilities and Dynamics of Protein Folding Nuclei by Molecular Dynamics Simulation

NASA Astrophysics Data System (ADS)

Song, Yong-Shun; Zhou, Xin; Zheng, Wei-Mou; Wang, Yan-Ting

2017-07-01

To understand how the stabilities of key nuclei fragments affect protein folding dynamics, we simulate by molecular dynamics (MD) simulation in aqueous solution four fragments cut out of a protein G, including one α-helix (seqB: KVFKQYAN), two β-turns (seqA: LNGKTLKG and seqC: YDDATKTF), and one β-strand (seqD: DGEWTYDD). The Markov State Model clustering method combined with the coarse-grained conformation letters method are employed to analyze the data sampled from 2-μs equilibrium MD simulation trajectories. We find that seqA and seqB have more stable structures than their native structures which become metastable when cut out of the protein structure. As expected, seqD alone is flexible and does not have a stable structure. Throughout our simulations, the native structure of seqC is stable but cannot be reached if starting from a structure other than the native one, implying a funnel-shape free energy landscape of seqC in aqueous solution. All the above results suggest that different nuclei have different formation dynamics during protein folding, which may have a major contribution to the hierarchy of protein folding dynamics. Supported by the National Basic Research Program of China under Grant No. 2013CB932804, the National Natural Science Foundation of China under Grant No. 11421063, and the CAS Biophysics Interdisciplinary Innovation Team Project

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.

CAN-DO, CFD-based Aerodynamic Nozzle Design and Optimization program for supersonic/hypersonic wind tunnels

NASA Technical Reports Server (NTRS)

Korte, John J.; Kumar, Ajay; Singh, D. J.; White, J. A.

1992-01-01

A design program is developed which incorporates a modern approach to the design of supersonic/hypersonic wind-tunnel nozzles. The approach is obtained by the coupling of computational fluid dynamics (CFD) with design optimization. The program can be used to design a 2D or axisymmetric, supersonic or hypersonic, wind-tunnel nozzles that can be modeled with a calorically perfect gas. The nozzle design is obtained by solving a nonlinear least-squares optimization problem (LSOP). The LSOP is solved using an iterative procedure which requires intermediate flowfield solutions. The nozzle flowfield is simulated by solving the Navier-Stokes equations for the subsonic and transonic flow regions and the parabolized Navier-Stokes equations for the supersonic flow regions. The advantages of this method are that the design is based on the solution of the viscous equations eliminating the need to make separate corrections to a design contour, and the flexibility of applying the procedure to different types of nozzle design problems.

Simulating electron wave dynamics in graphene superlattices exploiting parallel processing advantages

NASA Astrophysics Data System (ADS)

Rodrigues, Manuel J.; Fernandes, David E.; Silveirinha, Mário G.; Falcão, Gabriel

2018-01-01

This work introduces a parallel computing framework to characterize the propagation of electron waves in graphene-based nanostructures. The electron wave dynamics is modeled using both "microscopic" and effective medium formalisms and the numerical solution of the two-dimensional massless Dirac equation is determined using a Finite-Difference Time-Domain scheme. The propagation of electron waves in graphene superlattices with localized scattering centers is studied, and the role of the symmetry of the microscopic potential in the electron velocity is discussed. The computational methodologies target the parallel capabilities of heterogeneous multi-core CPU and multi-GPU environments and are built with the OpenCL parallel programming framework which provides a portable, vendor agnostic and high throughput-performance solution. The proposed heterogeneous multi-GPU implementation achieves speedup ratios up to 75x when compared to multi-thread and multi-core CPU execution, reducing simulation times from several hours to a couple of minutes.

Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation

NASA Astrophysics Data System (ADS)

Takemura, Kazuhiro; Guo, Hao; Sakuraba, Shun; Matubayasi, Nobuyuki; Kitao, Akio

2012-12-01

We propose a method to evaluate binding free energy differences among distinct protein-protein complex model structures through all-atom molecular dynamics simulations in explicit water using the solution theory in the energy representation. Complex model structures are generated from a pair of monomeric structures using the rigid-body docking program ZDOCK. After structure refinement by side chain optimization and all-atom molecular dynamics simulations in explicit water, complex models are evaluated based on the sum of their conformational and solvation free energies, the latter calculated from the energy distribution functions obtained from relatively short molecular dynamics simulations of the complex in water and of pure water based on the solution theory in the energy representation. We examined protein-protein complex model structures of two protein-protein complex systems, bovine trypsin/CMTI-1 squash inhibitor (PDB ID: 1PPE) and RNase SA/barstar (PDB ID: 1AY7), for which both complex and monomer structures were determined experimentally. For each system, we calculated the energies for the crystal complex structure and twelve generated model structures including the model most similar to the crystal structure and very different from it. In both systems, the sum of the conformational and solvation free energies tended to be lower for the structure similar to the crystal. We concluded that our energy calculation method is useful for selecting low energy complex models similar to the crystal structure from among a set of generated models.

Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation.

PubMed

Takemura, Kazuhiro; Guo, Hao; Sakuraba, Shun; Matubayasi, Nobuyuki; Kitao, Akio

2012-12-07

We propose a method to evaluate binding free energy differences among distinct protein-protein complex model structures through all-atom molecular dynamics simulations in explicit water using the solution theory in the energy representation. Complex model structures are generated from a pair of monomeric structures using the rigid-body docking program ZDOCK. After structure refinement by side chain optimization and all-atom molecular dynamics simulations in explicit water, complex models are evaluated based on the sum of their conformational and solvation free energies, the latter calculated from the energy distribution functions obtained from relatively short molecular dynamics simulations of the complex in water and of pure water based on the solution theory in the energy representation. We examined protein-protein complex model structures of two protein-protein complex systems, bovine trypsin/CMTI-1 squash inhibitor (PDB ID: 1PPE) and RNase SA/barstar (PDB ID: 1AY7), for which both complex and monomer structures were determined experimentally. For each system, we calculated the energies for the crystal complex structure and twelve generated model structures including the model most similar to the crystal structure and very different from it. In both systems, the sum of the conformational and solvation free energies tended to be lower for the structure similar to the crystal. We concluded that our energy calculation method is useful for selecting low energy complex models similar to the crystal structure from among a set of generated models.

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

NASA Astrophysics Data System (ADS)

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

2014-03-01

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

Quantitative analysis of multiple biokinetic models using a dynamic water phantom: A feasibility study

PubMed Central

Chiang, Fu-Tsai; Li, Pei-Jung; Chung, Shih-Ping; Pan, Lung-Fa; Pan, Lung-Kwang

2016-01-01

ABSTRACT This study analyzed multiple biokinetic models using a dynamic water phantom. The phantom was custom-made with acrylic materials to model metabolic mechanisms in the human body. It had 4 spherical chambers of different sizes, connected by 8 ditches to form a complex and adjustable water loop. One infusion and drain pole connected the chambers to an auxiliary silicon-based hose, respectively. The radio-active compound solution (TC-99m-MDP labeled) formed a sealed and static water loop inside the phantom. As clean feed water was infused to replace the original solution, the system mimicked metabolic mechanisms for data acquisition. Five cases with different water loop settings were tested and analyzed, with case settings changed by controlling valve poles located in the ditches. The phantom could also be changed from model A to model B by transferring its vertical configuration. The phantom was surveyed with a clinical gamma camera to determine the time-dependent intensity of every chamber. The recorded counts per pixel in each chamber were analyzed and normalized to compare with theoretical estimations from the MATLAB program. Every preset case was represented by uniquely defined, time-dependent, simultaneous differential equations, and a corresponding MATLAB program optimized the solutions by comparing theoretical calculations and practical measurements. A dimensionless agreement (AT) index was recommended to evaluate the comparison in each case. ATs varied from 5.6 to 48.7 over the 5 cases, indicating that this work presented an acceptable feasibility study. PMID:27286096

A method for optimizing multi-objective reservoir operation upon human and riverine ecosystem demands

NASA Astrophysics Data System (ADS)

Ai, Xueshan; Dong, Zuo; Mo, Mingzhu

2017-04-01

The optimal reservoir operation is in generally a multi-objective problem. In real life, most of the reservoir operation optimization problems involve conflicting objectives, for which there is no single optimal solution which can simultaneously gain an optimal result of all the purposes, but rather a set of well distributed non-inferior solutions or Pareto frontier exists. On the other hand, most of the reservoirs operation rules is to gain greater social and economic benefits at the expense of ecological environment, resulting to the destruction of riverine ecology and reduction of aquatic biodiversity. To overcome these drawbacks, this study developed a multi-objective model for the reservoir operating with the conflicting functions of hydroelectric energy generation, irrigation and ecological protection. To solve the model with the objectives of maximize energy production, maximize the water demand satisfaction rate of irrigation and ecology, we proposed a multi-objective optimization method of variable penalty coefficient (VPC), which was based on integrate dynamic programming (DP) with discrete differential dynamic programming (DDDP), to generate a well distributed non-inferior along the Pareto front by changing the penalties coefficient of different objectives. This method was applied to an existing China reservoir named Donggu, through a course of a year, which is a multi-annual storage reservoir with multiple purposes. The case study results showed a good relationship between any two of the objectives and a good Pareto optimal solutions, which provide a reference for the reservoir decision makers.

Feedback-Driven Dynamic Invariant Discovery

NASA Technical Reports Server (NTRS)

Zhang, Lingming; Yang, Guowei; Rungta, Neha S.; Person, Suzette; Khurshid, Sarfraz

2014-01-01

Program invariants can help software developers identify program properties that must be preserved as the software evolves, however, formulating correct invariants can be challenging. In this work, we introduce iDiscovery, a technique which leverages symbolic execution to improve the quality of dynamically discovered invariants computed by Daikon. Candidate invariants generated by Daikon are synthesized into assertions and instrumented onto the program. The instrumented code is executed symbolically to generate new test cases that are fed back to Daikon to help further re ne the set of candidate invariants. This feedback loop is executed until a x-point is reached. To mitigate the cost of symbolic execution, we present optimizations to prune the symbolic state space and to reduce the complexity of the generated path conditions. We also leverage recent advances in constraint solution reuse techniques to avoid computing results for the same constraints across iterations. Experimental results show that iDiscovery converges to a set of higher quality invariants compared to the initial set of candidate invariants in a small number of iterations.

Computational techniques for solar wind flows past terrestrial planets: Theory and computer programs

NASA Technical Reports Server (NTRS)

Stahara, S. S.; Chaussee, D. S.; Trudinger, B. C.; Spreiter, J. R.

1977-01-01

The interaction of the solar wind with terrestrial planets can be predicted using a computer program based on a single fluid, steady, dissipationless, magnetohydrodynamic model to calculate the axisymmetric, supersonic, super-Alfvenic solar wind flow past both magnetic and nonmagnetic planets. The actual calculations are implemented by an assemblage of computer codes organized into one program. These include finite difference codes which determine the gas-dynamic solution, together with a variety of special purpose output codes for determining and automatically plotting both flow field and magnetic field results. Comparisons are made with previous results, and results are presented for a number of solar wind flows. The computational programs developed are documented and are presented in a general user's manual which is included.

Hydration water dynamics and instigation of protein structuralrelaxation

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

Russo, Daniela; Hura, Greg; Head-Gordon, Teresa

2003-09-01

Until a critical hydration level is reached, proteins do not function. This critical level of hydration is analogous to a similar lack of protein function observed for temperatures below a dynamical temperature range of 180-220K that also is connected to the dynamics of protein surface water. Restoration of some enzymatic activity is observed in partially hydrated protein powders, sometimes corresponding to less than a single hydration layer on the protein surface, which indicates that the dynamical and structural properties of the surface water is intimately connected to protein stability and function. Many elegant studies using both experiment and simulation havemore » contributed important information about protein hydration structure and timescales. The molecular mechanism of the solvent motion that is required to instigate the protein structural relaxation above a critical hydration level or transition temperature has yet to be determined. In this work we use experimental quasi-elastic neutron scattering (QENS) and molecular dynamics simulation to investigate hydration water dynamics near a greatly simplified protein system. We consider the hydration water dynamics near the completely deuterated N-acetyl-leucine-methylamide (NALMA) solute, a hydrophobic amino acid side chain attached to a polar blocked polypeptide backbone, as a function of concentration between 0.5M-2.0M under ambient conditions. We note that roughly 50-60% of a folded protein's surface is equally distributed between hydrophobic and hydrophilic domains, domains whose lengths are on the order of a few water diameters, that justify our study of hydration dynamics of this simple model protein system. The QENS experiment was performed at the NIST Center for Neutron Research, using the disk chopper time of flight spectrometer (DCS). In order to separate the translational and rotational components in the spectra, two sets of experiments were carried out using different incident neutron wavelengths of 7.5{angstrom} and 5.5{angstrom} to give two different time resolutions. All the spectra have been measure at room temperature. The spectra were corrected for the sample holder contribution and normalized using the vanadium standard. The resulting data were analyzed with DAVE programs (http://www.ncnr.nist.gov/dave/). The AMBER force field and SPCE water model were used for modeling the NALMA solute and water, respectively. For the analysis of the water dynamics in the NALMA aqueous solutions, we performed simulations of a dispersed solute configuration consistent with our previous structural analysis, where we had primarily focused on the structural organization of these peptide solutions and their connection to protein folding. Further details of the QENS experiment and molecular dynamics simulations are reported elsewhere.« less

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

Choi, Jeong

The research program reported here is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution (i.e. morphological dynamics and microsegregation) at high undercooling, where conditions depart significantly from local equilibrium. More specifically, through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent (i.e. adaptive) numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method ismore » a suitable means for a self-consistent simulation of transient behavior and operating point selection under rapid growth conditions. Moving beyond the limitations of conventional theoretical/analytical treatments of non-equilibrium solute partitioning, these results serve to substantiate recent experimental findings and analytical treatments for single-phase rapid solidification. The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification, and the energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. Use of these treatments for analytical description of specific single-phase dendritic and cellular operating point selection, however, requires a model for solute partitioning under a given set of growth conditions. Therefore, analytical solute trapping models which describe the chemical partitioning as a function of steady state interface velocities have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these solute trapping models are not rigorously verified due to the difficulty in experimentally measuring under rapid growth conditions. Moreover, since these solute trapping models include kinetic parameters which are difficult to directly measure from experiments, application of the solute trapping models or the associated analytic rapid solidification model is limited. These theoretical models for steady state rapid solidification which incorporate the solute trapping models do not describe the interdependency of solute diffusion, interface kinetics, and alloy thermodynamics. The phase-field approach allows calculating, spontaneously, the non-equilibrium growth effects of alloys and the associated time-dependent growth dynamics, without making the assumptions that solute partitioning is an explicit function of velocity, as is the current convention. In the research described here, by utilizing the phase-field model in the thin-interface limit, incorporating the anti-trapping current term, more quantitatively valid interface kinetics and solute diffusion across the interface are calculated. In order to sufficiently resolve the physical length scales (i.e. interface thickness and diffusion boundary length), grid spacings are continually adjusted in calculations. The full trajectories of transient planar growth dynamics under rapid directional solidification conditions with different pulling velocities are described. As a validation of a model, the predicted steady state conditions are consistent with the analytic approach for rapid growth. It was confirmed that rapid interface dynamics exhibits the abrupt acceleration of the planar front when the effect of the non-equilibrium solute partitioning at the interface becomes signi ficant. This is consistent with the previous linear stability analysis for the non-equilibrium interface dynamics. With an appropriate growth condition, the continuous oscillation dynamics was able to be simulated using continually adjusting grid spacings. This oscillatory dynamics including instantaneous jump of interface velocities are consistent with a previous phenomenological model by and a numerical investigation, which may cause the formation of banded structures. Additionally, the selection of the steady state growth dynamics in the highly undercooled melt is demonstrated. The transition of the growth morphology, interface velocity selection, and solute trapping phenomenon with increasing melt supersaturations was described by the phase-field simulation. The tip selection for the dendritic growth was consistent with Ivantsov's function, and the non-equilibrium chemical partitioning behavior shows good qualitative agreement with the Aziz's solute trapping model even though the model parameter(V D) remains as an arbitrary constant. This work is able to show the possibility of comprehensive description of rapid alloy growth over the entire time-dependent non-equilibrium phenomenon.« less

Virtual Reality Based Support System for Layout Planning and Programming of an Industrial Robotic Work Cell

PubMed Central

Yap, Hwa Jen; Taha, Zahari; Md Dawal, Siti Zawiah; Chang, Siow-Wee

2014-01-01

Traditional robotic work cell design and programming are considered inefficient and outdated in current industrial and market demands. In this research, virtual reality (VR) technology is used to improve human-robot interface, whereby complicated commands or programming knowledge is not required. The proposed solution, known as VR-based Programming of a Robotic Work Cell (VR-Rocell), consists of two sub-programmes, which are VR-Robotic Work Cell Layout (VR-RoWL) and VR-based Robot Teaching System (VR-RoT). VR-RoWL is developed to assign the layout design for an industrial robotic work cell, whereby VR-RoT is developed to overcome safety issues and lack of trained personnel in robot programming. Simple and user-friendly interfaces are designed for inexperienced users to generate robot commands without damaging the robot or interrupting the production line. The user is able to attempt numerous times to attain an optimum solution. A case study is conducted in the Robotics Laboratory to assemble an electronics casing and it is found that the output models are compatible with commercial software without loss of information. Furthermore, the generated KUKA commands are workable when loaded into a commercial simulator. The operation of the actual robotic work cell shows that the errors may be due to the dynamics of the KUKA robot rather than the accuracy of the generated programme. Therefore, it is concluded that the virtual reality based solution approach can be implemented in an industrial robotic work cell. PMID:25360663

Virtual reality based support system for layout planning and programming of an industrial robotic work cell.

PubMed

Yap, Hwa Jen; Taha, Zahari; Dawal, Siti Zawiah Md; Chang, Siow-Wee

2014-01-01

Traditional robotic work cell design and programming are considered inefficient and outdated in current industrial and market demands. In this research, virtual reality (VR) technology is used to improve human-robot interface, whereby complicated commands or programming knowledge is not required. The proposed solution, known as VR-based Programming of a Robotic Work Cell (VR-Rocell), consists of two sub-programmes, which are VR-Robotic Work Cell Layout (VR-RoWL) and VR-based Robot Teaching System (VR-RoT). VR-RoWL is developed to assign the layout design for an industrial robotic work cell, whereby VR-RoT is developed to overcome safety issues and lack of trained personnel in robot programming. Simple and user-friendly interfaces are designed for inexperienced users to generate robot commands without damaging the robot or interrupting the production line. The user is able to attempt numerous times to attain an optimum solution. A case study is conducted in the Robotics Laboratory to assemble an electronics casing and it is found that the output models are compatible with commercial software without loss of information. Furthermore, the generated KUKA commands are workable when loaded into a commercial simulator. The operation of the actual robotic work cell shows that the errors may be due to the dynamics of the KUKA robot rather than the accuracy of the generated programme. Therefore, it is concluded that the virtual reality based solution approach can be implemented in an industrial robotic work cell.

Experiences at Langley Research Center in the application of optimization techniques to helicopter airframes for vibration reduction

NASA Technical Reports Server (NTRS)

Murthy, T. Sreekanta; Kvaternik, Raymond G.

1991-01-01

A NASA/industry rotorcraft structural dynamics program known as Design Analysis Methods for VIBrationS (DAMVIBS) was initiated at Langley Research Center in 1984 with the objective of establishing the technology base needed by the industry for developing an advanced finite-element-based vibrations design analysis capability for airframe structures. As a part of the in-house activities contributing to that program, a study was undertaken to investigate the use of formal, nonlinear programming-based, numerical optimization techniques for airframe vibrations design work. Considerable progress has been made in connection with that study since its inception in 1985. This paper presents a unified summary of the experiences and results of that study. The formulation and solution of airframe optimization problems are discussed. Particular attention is given to describing the implementation of a new computational procedure based on MSC/NASTRAN and CONstrained function MINimization (CONMIN) in a computer program system called DYNOPT for the optimization of airframes subject to strength, frequency, dynamic response, and fatigue constraints. The results from the application of the DYNOPT program to the Bell AH-1G helicopter are presented and discussed.

Dynamical spacetimes in conformal gravity

NASA Astrophysics Data System (ADS)

Zhang, Hongsheng; Zhang, Yi; Li, Xin-Zhou

2017-08-01

The conformal gravity remarkably boosts our prehension of gravity theories. We find a series of dynamical solutions in the W2-conformal gravity, including generalized Schwarzschild-Friedmann-Robertson-Walker (GSFRW), charged generalized Schwarzschild-Friedmann-Robertson-Walker (CGSFRW), especially rotating Friedmann-Robertson-Walker (RFRW), charged rotating Friedmann-Robertson-Walker (CRFRW), and a dynamical cylindrically symmetric solutions. The RFRW, CRFRW and the dynamical cylindrically symmetric solutions are never found in the Einstein gravity and modified gravities. The GSFRW and CGSFRW solutions take different forms from the corresponding solutions in the Einstein gravity.

Staggered solution procedures for multibody dynamics simulation

NASA Technical Reports Server (NTRS)

Park, K. C.; Chiou, J. C.; Downer, J. D.

1990-01-01

The numerical solution procedure for multibody dynamics (MBD) systems is termed a staggered MBD solution procedure that solves the generalized coordinates in a separate module from that for the constraint force. This requires a reformulation of the constraint conditions so that the constraint forces can also be integrated in time. A major advantage of such a partitioned solution procedure is that additional analysis capabilities such as active controller and design optimization modules can be easily interfaced without embedding them into a monolithic program. After introducing the basic equations of motion for MBD system in the second section, Section 3 briefly reviews some constraint handling techniques and introduces the staggered stabilized technique for the solution of the constraint forces as independent variables. The numerical direct time integration of the equations of motion is described in Section 4. As accurate damping treatment is important for the dynamics of space structures, we have employed the central difference method and the mid-point form of the trapezoidal rule since they engender no numerical damping. This is in contrast to the current practice in dynamic simulations of ground vehicles by employing a set of backward difference formulas. First, the equations of motion are partitioned according to the translational and the rotational coordinates. This sets the stage for an efficient treatment of the rotational motions via the singularity-free Euler parameters. The resulting partitioned equations of motion are then integrated via a two-stage explicit stabilized algorithm for updating both the translational coordinates and angular velocities. Once the angular velocities are obtained, the angular orientations are updated via the mid-point implicit formula employing the Euler parameters. When the two algorithms, namely, the two-stage explicit algorithm for the generalized coordinates and the implicit staggered procedure for the constraint Lagrange multipliers, are brought together in a staggered manner, they constitute a staggered explicit-implicit procedure which is summarized in Section 5. Section 6 presents some example problems and discussions concerning several salient features of the staggered MBD solution procedure are offered in Section 7.

Compensator improvement for multivariable control systems

NASA Technical Reports Server (NTRS)

Mitchell, J. R.; Mcdaniel, W. L., Jr.; Gresham, L. L.

1977-01-01

A theory and the associated numerical technique are developed for an iterative design improvement of the compensation for linear, time-invariant control systems with multiple inputs and multiple outputs. A strict constraint algorithm is used in obtaining a solution of the specified constraints of the control design. The result of the research effort is the multiple input, multiple output Compensator Improvement Program (CIP). The objective of the Compensator Improvement Program is to modify in an iterative manner the free parameters of the dynamic compensation matrix so that the system satisfies frequency domain specifications. In this exposition, the underlying principles of the multivariable CIP algorithm are presented and the practical utility of the program is illustrated with space vehicle related examples.

Effects of Electronic-State-Dependent Solute Polarizability: Application to Solute-Pump/Solvent-Probe Spectra.

PubMed

Sun, Xiang; Ladanyi, Branka M; Stratt, Richard M

2015-07-23

Experimental studies of solvation dynamics in liquids invariably ask how changing a solute from its electronic ground state to an electronically excited state affects a solution's dynamics. With traditional time-dependent-fluorescence experiments, that means looking for the dynamical consequences of the concomitant change in solute-solvent potential energy. But if one follows the shift in the dynamics through its effects on the macroscopic polarizability, as recent solute-pump/solvent-probe spectra do, there is another effect of the electronic excitation that should be considered: the jump in the solute's own polarizability. We examine the spectroscopic consequences of this solute polarizability change in the classic example of the solvation dye coumarin 153 dissolved in acetonitrile. After demonstrating that standard quantum chemical methods can be used to construct accurate multisite models for the polarizabilities of ground- and excited-state solvation dyes, we show via simulation that this polarizability change acts as a contrast agent, significantly enhancing the observable differences in optical-Kerr spectra between ground- and excited-state solutions. A comparison of our results with experimental solute-pump/solvent-probe spectra supports our interpretation and modeling of this spectroscopy. We predict, in particular, that solute-pump/solvent-probe spectra should be sensitive to changes in both the solvent dynamics near the solute and the electronic-state-dependence of the solute's own rotational dynamics.

Double Wronskian Solution and Soliton Properties of the Nonisospectral BKP Equation

NASA Astrophysics Data System (ADS)

Wang, Deng-Shan; Li, Xiang-Gui; Chan, C. K.; Zhou, Jian

2016-03-01

Based on the Wronskian technique and Lax pair, double Wronskian solution of the nonisospectral BKP equation is presented explicitly. The speed and dynamical influence of the one soliton are discussed. Soliton resonances of two soliton are shown by means of density distributions. Soliton properties are also investigated in the inhomogeneous media. Supported by the Research Committee of The Hong Kong Polytechnic University under Grant No. G-YM37, the AMSS-PolyU Joint Research Institute for Engineering and Management Mathematics under Grant No. 1-ZVA8, National Natural Science Foundation of China under Grant Nos. 11271362 and 11375030, Beijing Natural Science Fund Project and Beijing City Board of Education Science and Technology Key Project under Grant No. KZ201511232034, Beijing Natural Science Foundation under Grant No. 1153004, Beijing Nova Program No. Z131109000413029, and Beijing Finance Funds of Natural Science Program for Excellent Talents under Grant No. 2014000026833ZK19

Creating CAD designs and performing their subsequent analysis using opensource solutions in Python

NASA Astrophysics Data System (ADS)

Iakushkin, Oleg O.; Sedova, Olga S.

2018-01-01

The paper discusses the concept of a system that encapsulates the transition from geometry building to strength tests. The solution we propose views the engineer as a programmer who is capable of coding the procedure for working with the modeli.e., to outline the necessary transformations and create cases for boundary conditions. We propose a prototype of such system. In our work, we used: Python programming language to create the program; Jupyter framework to create a single workspace visualization; pythonOCC library to implement CAD; FeniCS library to implement FEM; GMSH and VTK utilities. The prototype is launched on a platform which is a dynamically expandable multi-tenant cloud service providing users with all computing resources on demand. However, the system may be deployed locally for prototyping or work that does not involve resource-intensive computing. To make it possible, we used containerization, isolating the system in a Docker container.

Electro-osmotically driven liquid delivery method and apparatus

DOEpatents

Rakestraw, David J.; Anex, Deon S.; Yan, Chao; Dadoo, Rajeev; Zare, Richard N.

1999-01-01

Method and apparatus for controlling precisely the composition and delivery of liquid at sub-.mu.L/min flow rate. One embodiment of such a delivery system is an electro-osmotically driven gradient flow delivery system that generates dynamic gradient flows with sub-.mu.L/min flow rates by merging a plurality of electro-osmotic flows. These flows are delivered by a plurality of delivery arms attached to a mixing connector, where they mix and then flow into a receiving means, preferably a column. Each inlet of the plurality of delivery arms is placed in a corresponding solution reservoir. A plurality of independent programmable high-voltage power supplies is used to apply a voltage program to each of the plurality of solution reservoirs to regulate the electro-osmotic flow in each delivery arm. The electro-osmotic flow rates in the delivery arms are changed with time according to each voltage program to deliver the required gradient profile to the column.

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.

Hilbert's sixth problem and the failure of the Boltzmann to Euler limit

NASA Astrophysics Data System (ADS)

Slemrod, Marshall

2018-04-01

This paper addresses the main issue of Hilbert's sixth problem, namely the rigorous passage of solutions to the mesoscopic Boltzmann equation to macroscopic solutions of the Euler equations of compressible gas dynamics. The results of the paper are that (i) in general Hilbert's program will fail because of the appearance of van der Waals-Korteweg capillarity terms in a macroscopic description of motion of a gas, and (ii) the van der Waals-Korteweg theory itself might satisfy Hilbert's quest for a map from the `atomistic view' to the laws of motion of continua. This article is part of the theme issue `Hilbert's sixth problem'.

Implementation of Finite Volume based Navier Stokes Algorithm Within General Purpose Flow Network Code

NASA Technical Reports Server (NTRS)

Schallhorn, Paul; Majumdar, Alok

2012-01-01

This paper describes a finite volume based numerical algorithm that allows multi-dimensional computation of fluid flow within a system level network flow analysis. There are several thermo-fluid engineering problems where higher fidelity solutions are needed that are not within the capacity of system level codes. The proposed algorithm will allow NASA's Generalized Fluid System Simulation Program (GFSSP) to perform multi-dimensional flow calculation within the framework of GFSSP s typical system level flow network consisting of fluid nodes and branches. The paper presents several classical two-dimensional fluid dynamics problems that have been solved by GFSSP's multi-dimensional flow solver. The numerical solutions are compared with the analytical and benchmark solution of Poiseulle, Couette and flow in a driven cavity.

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.

Solving Component Structural Dynamic Failures Due to Extremely High Frequency Structural Response on the Space Shuttle Program

NASA Technical Reports Server (NTRS)

Frady, Greg; Nesman, Thomas; Zoladz, Thomas; Szabo, Roland

2010-01-01

For many years, the capabilities to determine the root-cause failure of component failures have been limited to the analytical tools and the state of the art data acquisition systems. With this limited capability, many anomalies have been resolved by adding material to the design to increase robustness without the ability to determine if the design solution was satisfactory until after a series of expensive test programs were complete. The risk of failure and multiple design, test, and redesign cycles were high. During the Space Shuttle Program, many crack investigations in high energy density turbomachines, like the SSME turbopumps and high energy flows in the main propulsion system, have led to the discovery of numerous root-cause failures and anomalies due to the coexistences of acoustic forcing functions, structural natural modes, and a high energy excitation, such as an edge tone or shedding flow, leading the technical community to understand many of the primary contributors to extremely high frequency high cycle fatique fluid-structure interaction anomalies. These contributors have been identified using advanced analysis tools and verified using component and system tests during component ground tests, systems tests, and flight. The structural dynamics and fluid dynamics communities have developed a special sensitivity to the fluid-structure interaction problems and have been able to adjust and solve these problems in a time effective manner to meet budget and schedule deadlines of operational vehicle programs, such as the Space Shuttle Program over the years.

Development of modular control software for construction 3D-printer

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Translational and rotational dynamics of monosaccharide solutions.

PubMed

Lelong, Gérald; Howells, W Spencer; Brady, John W; Talón, César; Price, David L; Saboungi, Marie-Louise

2009-10-01

Molecular dynamics computer simulations have been carried out on aqueous solutions of glucose at concentrations bracketing those previously measured with quasi-elastic neutron scattering (QENS), in order to investigate the motions and interactions of the sugar and water molecules. In addition, QENS measurements have been carried out on fructose solutions to determine whether the effects previously observed for glucose apply to monosaccharide solutions. The simulations indicate a dynamical analogy between higher solute concentration and lower temperature that could provide a key explanation of the bioprotective phenomena observed in many living organisms. The experimental results on fructose solutions show qualitatively similar behavior to the glucose solutions. The dynamics of the water molecules are essentially the same, while the translational diffusion of the sugar molecules is slightly faster in the fructose solutions.

About an Optimal Visiting Problem

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

Bagagiolo, Fabio, E-mail: bagagiol@science.unitn.it; Benetton, Michela

In this paper we are concerned with the optimal control problem consisting in minimizing the time for reaching (visiting) a fixed number of target sets, in particular more than one target. Such a problem is of course reminiscent of the famous 'Traveling Salesman Problem' and brings all its computational difficulties. Our aim is to apply the dynamic programming technique in order to characterize the value function of the problem as the unique viscosity solution of a suitable Hamilton-Jacobi equation. We introduce some 'external' variables, one per target, which keep in memory whether the corresponding target is already visited or not,more » and we transform the visiting problem in a suitable Mayer problem. This fact allows us to overcome the lacking of the Dynamic Programming Principle for the originary problem. The external variables evolve with a hysteresis law and the Hamilton-Jacobi equation turns out to be discontinuous.« less

A knowledge-based approach to automated flow-field zoning for computational fluid dynamics

NASA Technical Reports Server (NTRS)

Vogel, Alison Andrews

1989-01-01

An automated three-dimensional zonal grid generation capability for computational fluid dynamics is shown through the development of a demonstration computer program capable of automatically zoning the flow field of representative two-dimensional (2-D) aerodynamic configurations. The applicability of a knowledge-based programming approach to the domain of flow-field zoning is examined. Several aspects of flow-field zoning make the application of knowledge-based techniques challenging: the need for perceptual information, the role of individual bias in the design and evaluation of zonings, and the fact that the zoning process is modeled as a constructive, design-type task (for which there are relatively few examples of successful knowledge-based systems in any domain). Engineering solutions to the problems arising from these aspects are developed, and a demonstration system is implemented which can design, generate, and output flow-field zonings for representative 2-D aerodynamic configurations.

A dynamically adaptive multigrid algorithm for the incompressible Navier-Stokes equations: Validation and model problems

NASA Technical Reports Server (NTRS)

Thompson, C. P.; Leaf, G. K.; Vanrosendale, J.

1991-01-01

An algorithm is described for the solution of the laminar, incompressible Navier-Stokes equations. The basic algorithm is a multigrid based on a robust, box-based smoothing step. Its most important feature is the incorporation of automatic, dynamic mesh refinement. This algorithm supports generalized simple domains. The program is based on a standard staggered-grid formulation of the Navier-Stokes equations for robustness and efficiency. Special grid transfer operators were introduced at grid interfaces in the multigrid algorithm to ensure discrete mass conservation. Results are presented for three models: the driven-cavity, a backward-facing step, and a sudden expansion/contraction.

Materials @ LANL: Solutions for National Security Challenges

NASA Astrophysics Data System (ADS)

Teter, David

2012-10-01

Materials science activities impact many programmatic missions at LANL including nuclear weapons, nuclear energy, renewable energy, global security and nonproliferation. An overview of the LANL materials science strategy and examples of materials science programs will be presented. Major materials leadership areas are in materials dynamics, actinides and correlated electron materials, materials in radiation extremes, energetic materials, integrated nanomaterials and complex functional materials. Los Alamos is also planning a large-scale, signature science facility called MaRIE (Matter Radiation Interactions in Extremes) to address in-situ characterization of materials in dynamic and radiation environments using multiple high energy probes. An overview of this facility will also be presented.

An application of different dioids in public key cryptography

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

Durcheva, Mariana I., E-mail: mdurcheva66@gmail.com

2014-11-18

Dioids provide a natural framework for analyzing a broad class of discrete event dynamical systems such as the design and analysis of bus and railway timetables, scheduling of high-throughput industrial processes, solution of combinatorial optimization problems, the analysis and improvement of flow systems in communication networks. They have appeared in several branches of mathematics such as functional analysis, optimization, stochastic systems and dynamic programming, tropical geometry, fuzzy logic. In this paper we show how to involve dioids in public key cryptography. The main goal is to create key – exchange protocols based on dioids. Additionally the digital signature scheme ismore » presented.« less

Dynamics of elastic nonlinear rotating composite beams with embedded actuators

NASA Astrophysics Data System (ADS)

Ghorashi, Mehrdaad

2009-08-01

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

Continuous-time quantum Monte Carlo impurity solvers

NASA Astrophysics Data System (ADS)

Gull, Emanuel; Werner, Philipp; Fuchs, Sebastian; Surer, Brigitte; Pruschke, Thomas; Troyer, Matthias

2011-04-01

Continuous-time quantum Monte Carlo impurity solvers are algorithms that sample the partition function of an impurity model using diagrammatic Monte Carlo techniques. The present paper describes codes that implement the interaction expansion algorithm originally developed by Rubtsov, Savkin, and Lichtenstein, as well as the hybridization expansion method developed by Werner, Millis, Troyer, et al. These impurity solvers are part of the ALPS-DMFT application package and are accompanied by an implementation of dynamical mean-field self-consistency equations for (single orbital single site) dynamical mean-field problems with arbitrary densities of states. Program summaryProgram title: dmft Catalogue identifier: AEIL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: ALPS LIBRARY LICENSE version 1.1 No. of lines in distributed program, including test data, etc.: 899 806 No. of bytes in distributed program, including test data, etc.: 32 153 916 Distribution format: tar.gz Programming language: C++ Operating system: The ALPS libraries have been tested on the following platforms and compilers: Linux with GNU Compiler Collection (g++ version 3.1 and higher), and Intel C++ Compiler (icc version 7.0 and higher) MacOS X with GNU Compiler (g++ Apple-version 3.1, 3.3 and 4.0) IBM AIX with Visual Age C++ (xlC version 6.0) and GNU (g++ version 3.1 and higher) compilers Compaq Tru64 UNIX with Compq C++ Compiler (cxx) SGI IRIX with MIPSpro C++ Compiler (CC) HP-UX with HP C++ Compiler (aCC) Windows with Cygwin or coLinux platforms and GNU Compiler Collection (g++ version 3.1 and higher) RAM: 10 MB-1 GB Classification: 7.3 External routines: ALPS [1], BLAS/LAPACK, HDF5 Nature of problem: (See [2].) Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular conductors and play an increasingly important role in the theory of "correlated electron" materials as auxiliary problems whose solution gives the "dynamical mean field" approximation to the self-energy and local correlation functions. Solution method: Quantum impurity models require a method of solution which provides access to both high and low energy scales and is effective for wide classes of physically realistic models. The continuous-time quantum Monte Carlo algorithms for which we present implementations here meet this challenge. Continuous-time quantum impurity methods are based on partition function expansions of quantum impurity models that are stochastically sampled to all orders using diagrammatic quantum Monte Carlo techniques. For a review of quantum impurity models and their applications and of continuous-time quantum Monte Carlo methods for impurity models we refer the reader to [2]. Additional comments: Use of dmft requires citation of this paper. Use of any ALPS program requires citation of the ALPS [1] paper. Running time: 60 s-8 h per iteration.

Solute rotational dynamics at the water liquid/vapor interface.

PubMed

Benjamin, Ilan

2007-11-28

The rotational dynamics of a number of diatomic molecules adsorbed at different locations at the interface between water and its own vapors are studied using classical molecular dynamics computer simulations. Both equilibrium orientational and energy correlations and nonequilibrium orientational and energy relaxation correlations are calculated. By varying the dipole moment of the molecule and its location, and by comparing the results with those in bulk water, the effects of dielectric and mechanical frictions on reorientation dynamics and on rotational energy relaxation can be studied. It is shown that for nonpolar and weekly polar solutes, the equilibrium orientational relaxation is much slower in the bulk than at the interface. As the solute becomes more polar, the rotation slows down and the surface and bulk dynamics become similar. The energy relaxation (both equilibrium and nonequilibrium) has the opposite trend with the solute dipole (larger dipoles relax faster), but here again the bulk and surface results converge as the solute dipole is increased. It is shown that these behaviors correlate with the peak value of the solvent-solute radial distribution function, which demonstrates the importance of the first hydration shell structure in determining the rotational dynamics and dependence of these dynamics on the solute dipole and location.

Dynamic Conformations of Nucleosome Arrays in Solution from Small-Angle X-ray Scattering

NASA Astrophysics Data System (ADS)

Howell, Steven C.

Chromatin conformation and dynamics remains unsolved despite the critical role of the chromatin in fundamental genetic functions such as transcription, replication, and repair. At the molecular level, chromatin can be viewed as a linear array of nucleosomes, each consisting of 147 base pairs (bp) of double-stranded DNA (dsDNA) wrapped around a protein core and connected by 10 to 90 bp of linker dsDNA. Using small-angle X-ray scattering (SAXS), we investigated how the conformations of model nucleosome arrays in solution are modulated by ionic condition as well as the effect of linker histone proteins. To facilitate ensemble modeling of these SAXS measurements, we developed a simulation method that treats coarse-grained DNA as a Markov chain, then explores possible DNA conformations using Metropolis Monte Carlo (MC) sampling. This algorithm extends the functionality of SASSIE, a program used to model intrinsically disordered biological molecules, adding to the previous methods for simulating protein, carbohydrates, and single-stranded DNA. Our SAXS measurements of various nucleosome arrays together with the MC generated models provide valuable solution structure information identifying specific differences from the structure of crystallized arrays.

Understanding nanofluid stability through molecular simulation

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

Dang, Liem X.; Annapureddy, Harsha V.; Sun, Xiuquan

We performed molecular dynamics simulations to study solvation of a nanoparticle and nanoparticle-nanoparticle interactions in an n-hexane solution. Structural signatures are barely observed between the nanoparticle and n-hexane molecules because of weak binding and steric effects. The dynamic properties of the n-hexane molecule, on the other hand, are significantly influenced by the solvated nanoparticle. The diffusion of n-hexane molecules inside the nanoparticle is significantly decreased mainly because of the loss of dimensions of translation. Because one translational degree of freedom is lost by colliding with the wall of nanoparticle, the n-hexane molecules outside the nanoparticle diffuse 30% slower than themore » molecules in pure solution. The computed free energy profiles illustrate that the arrangement of the nanoparticles in bulk n-hexane solution are dependent on the orientation and functional group. We found that the n-hexane solvent exerts some effects on the interactions between the solvated nanoparticles. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences and by the Office of Energy Efficiency and Renewable Energy, Geothermal Technologies Program. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.« less

Thermodynamic and transport properties of spiro-(1,1')-bipyrrolidinium tetrafluoroborate and acetonitrile mixtures: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Qing-Yin, Zhang; Peng, Xie; Xin, Wang; Xue-Wen, Yu; Zhi-Qiang, Shi; Shi-Huai, Zhao

2016-06-01

Organic salts such as spiro-(1,1')-bipyrrolidinium tetrafluoroborate ([SBP][BF4]) dissolved in liquid acetonitrile (ACN) are a new kind of organic salt solution, which is expected to be used as an electrolyte in electrical double layer capacitors (EDLCs). To explore the physicochemical properties of the solution, an all-atom force field is established on the basis of AMBER parameter values and quantum mechanical calculations. Molecular dynamics (MD) simulations are carried out to explore the liquid structure and physicochemical properties of [SBP][BF4] electrolyte at room temperature. The computed thermodynamic and transport properties match the available experimental results very well. The microscopic structures of [SBP][BF4] salt solution are also discussed in detail. The method used in this work provides an efficient way of predicting the properties of organic salt solvent as an electrolyte in EDLCs. Project supported by the National Natural Science Foundation of China (Grant Nos. 21476172 and 51172160), the National High Technology Research and Development Program of China (Grant No. 2013AA050905), and the Natural Science Foundation of Tianjin, China (Grant Nos. 12JCZDJC28400, 14RCHZGX00859, 14JCTPJC00484, and 14JCQNJC07200).

Human motion planning based on recursive dynamics and optimal control techniques

NASA Technical Reports Server (NTRS)

Lo, Janzen; Huang, Gang; Metaxas, Dimitris

2002-01-01

This paper presents an efficient optimal control and recursive dynamics-based computer animation system for simulating and controlling the motion of articulated figures. A quasi-Newton nonlinear programming technique (super-linear convergence) is implemented to solve minimum torque-based human motion-planning problems. The explicit analytical gradients needed in the dynamics are derived using a matrix exponential formulation and Lie algebra. Cubic spline functions are used to make the search space for an optimal solution finite. Based on our formulations, our method is well conditioned and robust, in addition to being computationally efficient. To better illustrate the efficiency of our method, we present results of natural looking and physically correct human motions for a variety of human motion tasks involving open and closed loop kinematic chains.

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.

Mechanisms of interfacial reactivity in near surface and extreme environments

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

Chen, Ying; Balaska, Eric; Weare, John

The local water structure surrounding ions in aqueous solutions greatly affects their chemical properties such as reaction rates, ion association, and proton and electron transport. These properties result in the behavior of ions in natural aqueous environments. For example ore transport is facilitated by chloride ion pair formation and the reaction of ions in an interface is strongly dependent on the dehydration of the ion hydration shell. We are developing the use of high-­resolution XAFS observations and 1st principles based MD-­XAFS analysis (spectra simulated using 1st principle methods with no adjustable parameters, AIMD) to interpret the solution properties of stronglymore » interacting aqueous solutes under arbitrary pressure and temperature conditions. In the 1st principle MD-­XAFS method density functional theory (DFT) based MD simulations(Car and Parrinello, 1985) are used to generate a large ensemble of structural snap shots of the hydration region. These are then used to generate scattering intensities. I emphasize three points about this novel approach to analyzing XAFS data. 1st: As illustrated in Figure 1, the level of agreement between the calculated and observed intensities is considerably higher than has been obtained by any XAFS analysis to date (note 2nd shell region, R> 2 Å). 2nd: This result was obtained from a parameter free simulation with no fitting of the interaction potentials to any data. This supports the use of these methods for more difficult environments and more complex solutes (polyions). 3rd: New information about the shell structure (Figure 1) is now available because of this more detailed agreement. We note also that both multiple scattering and second shell features are well represented in the analysis. As far as we know this is the 1st analysis of second shell structure and multiple scattering. Excellent agreement has been obtained for most of the third row metal ions: Ca 2+, Zn 2+, Cu 2+, Ni 2+, Co 2+, Mn 2+, Fe 3+, Cr 3+. Calculations on these systems are demanding because of their open electronic shells, and high ionic charge. Principal Investigator: Professor John Weare (University of California, San Diego) The prediction of the interactions of geochemical fluids with minerals, nanoparticles, and colloids under extreme near surface conditions of temperature (T) and pressure (P) is a grand challenge research need in geosciences (U.S. DOE 2007, Basic Research Needs for Geosciences: Facilitating the 21st Energy Systems.). To evaluate the impact of these processes on energy production and management strategies it is necessary to have a high level of understanding of the interaction between complex natural fluids and mineral formations. This program emphasizes 1st principle parameter free simulations of complex chemical processes in solutions, in the mineral phase, and in the interfaces between these phases The development of new computational tools (with emphasis on oxide materials and reaction dynamics) tailored to treat wide range of conditions and time scales experienced in such geochemical applications is has been developed. Because of the sensitivity of the interaction in these systems to electronic structure and local bonding environments, and of the need to describe bond breaking/formation, our simulations are based on interactions calculated at the electronic structure level (ab-initio molecular dynamics, AIMD). The progress in the computational aspects of program may be summarized in terms of the following themes (objectives); Development of efficient parameter free dynamical simulation technology based on 1st principles force and energy calculations especially adapted for geochemical applications (e.g., mineral, interfaces and aqueous solutions) (continuing program); Calculation of the dynamics of water structure of in the surface-water interface of transition metal oxides and oxihydroxides; and Development of improved (beyond DFT+GGA) electronic structure calculations for minerals and the interface region that more accurately calculate electron correlation, spin density, and localization. The focus of the program is also on the iron oxide and oxihydroxide minerals and Fe 2+(aq)/Fe 3+(cr) oxidation in the mineral solution interface region. These methods included the development of model Hamilitonian methods that can be solved to near convergence for single site models (DMFT) and many-body perturbation methods (MP2, GW); Development of time decomposition methods to extend time scales of molecular dynamics (MD) simulations and support the use of high complexity electronic structure calculations (MP2, CCSD(T)) of forces for use in dynamical simulations where very high chemical accuracy is required (microsolvated reactions in absorbed surface layers); and The development of a new linear scaling finite element solver for eigenvalue problem that supports solution of quantum problems with unusual potential and boundary values. Application progress of the above new simulation technology to problems of geochemical interests includes; The prediction of metal oxide surface structure and the reduction/oxidation of Fe 3+(cr)/Fe 2+ (aq) in metal oxide (hematite, goethite)/solution interfaces. Result: water interacts strongly with the 001 Hematite surface; interaction of water with the 100 goethite is weak; The study of ion solvation and the composition of ion hydration shells under extreme conditions (focus on Fe 3+/2+, Al 3+ and Mg 2+ and their hydroxide speciation). Result: Ion association in water solutions can be calculated from 1st principle methods. Efficient sampling of the free energy requires more development; The continued development of new high resolution analysis of XAFS scattering of disordered systems (particularly Al, Mg) and of XANES calculations for aqueous ions. Result: EXAFS spectra can be calculated to high accuracy with DFT level dynamic simulations; The exploration of electron localization and electron transport in metal oxides (highly correlated materials). Result: Proper description of electron localization requires levels of calculation beyond DFT; and Localization of electrons in DFT type Hamiltonians was studied. Result: For very Dirac high exchange new solutions (New unphysical bifrucations) to the eigenvalue problem are found. The program was highly collaborative involving faculty and students in mathematics, physics and computer science departments as well as coworkers at the Pacific Northwest National Laboratories (PNNL). The students in this program had the opportunity to develop skills in the development of methods, the implementation of method on high performance parallel computers and the application of these methods to problem in geochemical science. Much of the software that was developed was incorporated in the NWchem software package maintained by PNNL.« less

Overview of Aro Program on Network Science for Human Decision Making

NASA Astrophysics Data System (ADS)

West, Bruce J.

This program brings together researchers from disparate disciplines to work on a complex research problem that defies confinement within any single discipline. Consequently, not only are new and rewarding solutions sought and obtained for a problem of importance to society and the Army, that is, the human dimension of complex networks, but, in addition, collaborations are established that would not otherwise have formed given the traditional disciplinary compartmentalization of research. This program develops the basic research foundation of a science of networks supporting the linkage between the physical and human (cognitive and social) domains as they relate to human decision making. The strategy is to extend the recent methods of non-equilibrium statistical physics to non-stationary, renewal stochastic processes that appear to be characteristic of the interactions among nodes in complex networks. We also pursue understanding of the phenomenon of synchronization, whose mathematical formulation has recently provided insight into how complex networks reach accommodation and cooperation. The theoretical analyses of complex networks, although mathematically rigorous, often elude analytic solutions and require computer simulation and computation to analyze the underlying dynamic process.

Dynamic responses of graphite/epoxy laminated beam to impact of elastic spheres

NASA Technical Reports Server (NTRS)

Sun, C. T.; Wang, T.

1982-01-01

Wave propagation in 90/45/90/-45/902s and 0/45/0/-45/02s laminates of a graphite/epoxy composite due to impact of a steel ball was investigated experimentally and also by using a high order beam finite element. Dynamic strain responses at several locations were obtained using strain gages. The finite element program which incorporated statically determined contact laws was employed to calculate the contact force history as well as the target beam dynamic deformation. The comparison of the finite element solutions with the experimental data indicated that the static contact laws for loading and unloading (developed under this grant) are adequate for the dynamic impact analysis. It was found that for the 0/45/0/-45/02s laminate which has a much larger longitudinal bending rigidity, the use of beam finite elements is not suitable and plate finite element should be used instead.

ISCFD Nagoya 1989 - International Symposium on Computational Fluid Dynamics, 3rd, Nagoya, Japan, Aug. 28-31, 1989, Technical Papers

NASA Astrophysics Data System (ADS)

Recent advances in computational fluid dynamics are discussed in reviews and reports. Topics addressed include large-scale LESs for turbulent pipe and channel flows, numerical solutions of the Euler and Navier-Stokes equations on parallel computers, multigrid methods for steady high-Reynolds-number flow past sudden expansions, finite-volume methods on unstructured grids, supersonic wake flow on a blunt body, a grid-characteristic method for multidimensional gas dynamics, and CIC numerical simulation of a wave boundary layer. Consideration is given to vortex simulations of confined two-dimensional jets, supersonic viscous shear layers, spectral methods for compressible flows, shock-wave refraction at air/water interfaces, oscillatory flow in a two-dimensional collapsible channel, the growth of randomness in a spatially developing wake, and an efficient simplex algorithm for the finite-difference and dynamic linear-programming method in optimal potential control.

Tearing mode dynamics and sawtooth oscillation in Hall-MHD

NASA Astrophysics Data System (ADS)

Ma, Zhiwei; Zhang, Wei; Wang, Sheng

2017-10-01

Tearing mode instability is one of the most important dynamic processes in space and laboratory plasmas. Hall effects, resulted from the decoupling of electron and ion motions, could cause the fast development and perturbation structure rotation of the tearing mode and become non-negligible. We independently developed high accuracy nonlinear MHD code (CLT) to study Hall effects on the dynamic evolution of tearing modes with Tokamak geometries. It is found that the rotation frequency of the mode in the electron diamagnetic direction is in a good agreement with analytical prediction. The linear growth rate increases with increase of the ion inertial length, which is contradictory to analytical solution in the slab geometry. We further find that the self-consistently generated rotation largely alters the dynamic behavior of the double tearing mode and the sawtooth oscillation. National Magnetic Confinement Fusion Science Program of China under Grant No. 2013GB104004 and 2013GB111004.

Evaluation of Electric Power Procurement Strategies by Stochastic Dynamic Programming

NASA Astrophysics Data System (ADS)

Saisho, Yuichi; Hayashi, Taketo; Fujii, Yasumasa; Yamaji, Kenji

In deregulated electricity markets, the role of a distribution company is to purchase electricity from the wholesale electricity market at randomly fluctuating prices and to provide it to its customers at a given fixed price. Therefore the company has to take risk stemming from the uncertainties of electricity prices and/or demand fluctuation instead of the customers. The way to avoid the risk is to make a bilateral contact with generating companies or install its own power generation facility. This entails the necessity to develop a certain method to make an optimal strategy for electric power procurement. In such a circumstance, this research has the purpose for proposing a mathematical method based on stochastic dynamic programming and additionally considering the characteristics of the start-up cost of electric power generation facility to evaluate strategies of combination of the bilateral contract and power auto-generation with its own facility for procuring electric power in deregulated electricity market. In the beginning we proposed two approaches to solve the stochastic dynamic programming, and they are a Monte Carlo simulation method and a finite difference method to derive the solution of a partial differential equation of the total procurement cost of electric power. Finally we discussed the influences of the price uncertainty on optimal strategies of power procurement.

Strategies for Energy Efficient Resource Management of Hybrid Programming Models

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

Li, Dong; Supinski, Bronis de; Schulz, Martin

2013-01-01

Many scientific applications are programmed using hybrid programming models that use both message-passing and shared-memory, due to the increasing prevalence of large-scale systems with multicore, multisocket nodes. Previous work has shown that energy efficiency can be improved using software-controlled execution schemes that consider both the programming model and the power-aware execution capabilities of the system. However, such approaches have focused on identifying optimal resource utilization for one programming model, either shared-memory or message-passing, in isolation. The potential solution space, thus the challenge, increases substantially when optimizing hybrid models since the possible resource configurations increase exponentially. Nonetheless, with the accelerating adoptionmore » of hybrid programming models, we increasingly need improved energy efficiency in hybrid parallel applications on large-scale systems. In this work, we present new software-controlled execution schemes that consider the effects of dynamic concurrency throttling (DCT) and dynamic voltage and frequency scaling (DVFS) in the context of hybrid programming models. Specifically, we present predictive models and novel algorithms based on statistical analysis that anticipate application power and time requirements under different concurrency and frequency configurations. We apply our models and methods to the NPB MZ benchmarks and selected applications from the ASC Sequoia codes. Overall, we achieve substantial energy savings (8.74% on average and up to 13.8%) with some performance gain (up to 7.5%) or negligible performance loss.« less

Displaying CFD Solution Parameters on Arbitrary Cut Planes

NASA Technical Reports Server (NTRS)

Pao, S. Paul

2008-01-01

USMC6 is a Fortran 90 computer program for post-processing in support of visualization of flows simulated by computational fluid dynamics (CFD). The name "USMC6" is partly an abbreviation of "TetrUSS - USM3D Solution Cutter," reflecting its origin as a post-processor for use with USM3D - a CFD program that is a component of the Tetrahedral Unstructured Software System and that solves the Navier-Stokes equations on tetrahedral unstructured grids. "Cutter" here refers to a capability to acquire and process solution data on (1) arbitrary planes that cut through grid volumes, or (2) user-selected spheroidal, conical, cylindrical, and/or prismatic domains cut from within grids. Cutting saves time by enabling concentration of post-processing and visualization efforts on smaller solution domains of interest. The user can select from among more than 40 flow functions. The cut planes can be trimmed to circular or rectangular shape. The user specifies cuts and functions in a free-format input file using simple and easy-to-remember keywords. The USMC6 command line is simple enough that the slicing process can readily be embedded in a shell script for assembly-line post-processing. The output of USMC6 is a data file ready for plotting.

Lump Solutions and Interaction Phenomenon for (2+1)-Dimensional Sawada-Kotera Equation

NASA Astrophysics Data System (ADS)

Huang, Li-Li; Chen, Yong

2017-05-01

In this paper, a class of lump solutions to the (2+1)-dimensional Sawada-Kotera equation is studied by searching for positive quadratic function solutions to the associated bilinear equation. To guarantee rational localization and analyticity of the lumps, some sufficient and necessary conditions are presented on the parameters involved in the solutions. Then, a completely non-elastic interaction between a lump and a stripe of the (2+1)-dimensional Sawada-Kotera equation is obtained, which shows a lump solution is drowned or swallowed by a stripe soliton. Finally, 2-dimensional curves, 3-dimensional plots and density plots with particular choices of the involved parameters are presented to show the dynamic characteristics of the obtained lump and interaction solutions. Supported by the Global Change Research Program of China under Grant No. 2015CB953904, National Natural Science Foundation of China under Grant Nos. 11675054 and 11435005, Outstanding Doctoral Dissertation Cultivation Plan of Action under Grant No. YB2016039, and Shanghai Collaborative Innovation Center of Trustworthy Software for Internet of Things under Grant No. ZF1213

Accessorizing Building Science – A Web Platform to Support Multiple Market Transformation Programs

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

Madison, Michael C.; Antonopoulos, Chrissi A.; Dowson, Scott T.

As demand for improved energy efficiency in homes increases, builders need information on the latest findings in building science, rapidly ramping-up energy codes, and technical requirements for labeling programs. The Building America Solution Center is a Department of Energy (DOE) website containing hundreds of expert guides designed to help residential builders install efficiency measures in new and existing homes. Builders can package measures with other media for customized content. Website content provides technical support to market transformation programs such as ENERGY STAR and has been cloned and adapted to provide content for the Better Buildings Residential Program. The Solution Centermore » uses the Drupal open source content management platform to combine a variety of media in an interactive manner to make information easily accessible. Developers designed a unique taxonomy to organize and manage content. That taxonomy was translated into web-based modules that allow users to rapidly traverse structured content with related topics, and media. We will present information on the current design of the Solution Center and the underlying technology used to manage the content. The paper will explore development of features, such as “Field Kits” that allow users to bundle and save content for quick access, along with the ability to export PDF versions of content. Finally, we will discuss development of an Android based mobile application, and a visualization tool for interacting with Building Science Publications that allows the user to dynamically search the entire Building America Library.« less

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

Rapid Aeroelastic Analysis of Blade Flutter in Turbomachines

NASA Technical Reports Server (NTRS)

Trudell, J. J.; Mehmed, O.; Stefko, G. L.; Bakhle, M. A.; Reddy, T. S. R.; Montgomery, M.; Verdon, J.

2006-01-01

The LINFLUX-AE computer code predicts flutter and forced responses of blades and vanes in turbomachines under subsonic, transonic, and supersonic flow conditions. The code solves the Euler equations of unsteady flow in a blade passage under the assumption that the blades vibrate harmonically at small amplitudes. The steady-state nonlinear Euler equations are solved by a separate program, then equations for unsteady flow components are obtained through linearization around the steady-state solution. A structural-dynamics analysis (see figure) is performed to determine the frequencies and mode shapes of blade vibrations, a preprocessor interpolates mode shapes from the structural-dynamics mesh onto the LINFLUX computational-fluid-dynamics mesh, and an interface code is used to convert the steady-state flow solution to a form required by LINFLUX. Then LINFLUX solves the linearized equations in the frequency domain to calculate the unsteady aerodynamic pressure distribution for a given vibration mode, frequency, and interblade phase angle. A post-processor uses the unsteady pressures to calculate generalized aerodynamic forces, response amplitudes, and eigenvalues (which determine the flutter frequency and damping). In comparison with the TURBO-AE aeroelastic-analysis code, which solves the equations in the time domain, LINFLUX-AE is 6 to 7 times faster.

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.

A Piecewise Deterministic Markov Toy Model for Traffic/Maintenance and Associated Hamilton–Jacobi Integrodifferential Systems on Networks

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

Goreac, Dan, E-mail: Dan.Goreac@u-pem.fr; Kobylanski, Magdalena, E-mail: Magdalena.Kobylanski@u-pem.fr; Martinez, Miguel, E-mail: Miguel.Martinez@u-pem.fr

2016-10-15

We study optimal control problems in infinite horizon whxen the dynamics belong to a specific class of piecewise deterministic Markov processes constrained to star-shaped networks (corresponding to a toy traffic model). We adapt the results in Soner (SIAM J Control Optim 24(6):1110–1122, 1986) to prove the regularity of the value function and the dynamic programming principle. Extending the networks and Krylov’s “shaking the coefficients” method, we prove that the value function can be seen as the solution to a linearized optimization problem set on a convenient set of probability measures. The approach relies entirely on viscosity arguments. As a by-product,more » the dual formulation guarantees that the value function is the pointwise supremum over regular subsolutions of the associated Hamilton–Jacobi integrodifferential system. This ensures that the value function satisfies Perron’s preconization for the (unique) candidate to viscosity solution.« less

Optimal space-time attacks on system state estimation under a sparsity constraint

NASA Astrophysics Data System (ADS)

Lu, Jingyang; Niu, Ruixin; Han, Puxiao

2016-05-01

System state estimation in the presence of an adversary that injects false information into sensor readings has attracted much attention in wide application areas, such as target tracking with compromised sensors, secure monitoring of dynamic electric power systems, secure driverless cars, and radar tracking and detection in the presence of jammers. From a malicious adversary's perspective, the optimal strategy for attacking a multi-sensor dynamic system over sensors and over time is investigated. It is assumed that the system defender can perfectly detect the attacks and identify and remove sensor data once they are corrupted by false information injected by the adversary. With this in mind, the adversary's goal is to maximize the covariance matrix of the system state estimate by the end of attack period under a sparse attack constraint such that the adversary can only attack the system a few times over time and over sensors. The sparsity assumption is due to the adversary's limited resources and his/her intention to reduce the chance of being detected by the system defender. This becomes an integer programming problem and its optimal solution, the exhaustive search, is intractable with a prohibitive complexity, especially for a system with a large number of sensors and over a large number of time steps. Several suboptimal solutions, such as those based on greedy search and dynamic programming are proposed to find the attack strategies. Examples and numerical results are provided in order to illustrate the effectiveness and the reduced computational complexities of the proposed attack strategies.

Common aero vehicle autonomous reentry trajectory optimization satisfying waypoint and no-fly zone constraints

NASA Astrophysics Data System (ADS)

Jorris, Timothy R.

2007-12-01

To support the Air Force's Global Reach concept, a Common Aero Vehicle is being designed to support the Global Strike mission. "Waypoints" are specified for reconnaissance or multiple payload deployments and "no-fly zones" are specified for geopolitical restrictions or threat avoidance. Due to time critical targets and multiple scenario analysis, an autonomous solution is preferred over a time-intensive, manually iterative one. Thus, a real-time or near real-time autonomous trajectory optimization technique is presented to minimize the flight time, satisfy terminal and intermediate constraints, and remain within the specified vehicle heating and control limitations. This research uses the Hypersonic Cruise Vehicle (HCV) as a simplified two-dimensional platform to compare multiple solution techniques. The solution techniques include a unique geometric approach developed herein, a derived analytical dynamic optimization technique, and a rapidly emerging collocation numerical approach. This up-and-coming numerical technique is a direct solution method involving discretization then dualization, with pseudospectral methods and nonlinear programming used to converge to the optimal solution. This numerical approach is applied to the Common Aero Vehicle (CAV) as the test platform for the full three-dimensional reentry trajectory optimization problem. The culmination of this research is the verification of the optimality of this proposed numerical technique, as shown for both the two-dimensional and three-dimensional models. Additionally, user implementation strategies are presented to improve accuracy and enhance solution convergence. Thus, the contributions of this research are the geometric approach, the user implementation strategies, and the determination and verification of a numerical solution technique for the optimal reentry trajectory problem that minimizes time to target while satisfying vehicle dynamics and control limitation, and heating, waypoint, and no-fly zone constraints.

Nonlinear Waves, Dynamical Systems and Other Applied Mathematics Programs

DTIC Science & Technology

1991-10-04

present a general scheme of perturbation method for perturbed soliton systems, based on the normal form theory and the method of multiple scales. By this...dimension, and discuss possible consequences of the interplay between wavefront- interactions and curvature in two dimensions. Thursday, October 19 All ... normal speed D parametrized by the local mean surface curvature x. Its solution provides a relation D = D(x) which determines the evolution of the front

Elastic plate spallation

NASA Technical Reports Server (NTRS)

Oline, L.; Medaglia, J.

1972-01-01

The dynamic finite element method was used to investigate elastic stress waves in a plate. Strain displacement and stress strain relations are discussed along with the stiffness and mass matrix. The results of studying point load, and distributed load over small, intermediate, and large radii are reported. The derivation of finite element matrices, and the derivation of lumped and consistent matrices for one dimensional problems with Laplace transfer solutions are included. The computer program JMMSPALL is also included.

Dynamic Oligopolistic Games Under Uncertainty: A Stochastic Programming Approach

DTIC Science & Technology

2005-09-03

and Algeria) compete in several gas markets (France, Italy, Netherlands, UK, FRGer, BelLux). This data set has also been used by Gurkan, Ozge and...observe that 3 the approach of Gurkan, Ozge and Robinson (1999) is primarily intended for single (rather than multi) period games. At the...the British electricity spot market. Journal of Political Economy 100. Gurkan, G., Ozge , A.Y., Robinson, S.M., 1999. Sample-path solution of

Field-Programmable Gate Array Computer in Structural Analysis: An Initial Exploration

NASA Technical Reports Server (NTRS)

Singleterry, Robert C., Jr.; Sobieszczanski-Sobieski, Jaroslaw; Brown, Samuel

2002-01-01

This paper reports on an initial assessment of using a Field-Programmable Gate Array (FPGA) computational device as a new tool for solving structural mechanics problems. A FPGA is an assemblage of binary gates arranged in logical blocks that are interconnected via software in a manner dependent on the algorithm being implemented and can be reprogrammed thousands of times per second. In effect, this creates a computer specialized for the problem that automatically exploits all the potential for parallel computing intrinsic in an algorithm. This inherent parallelism is the most important feature of the FPGA computational environment. It is therefore important that if a problem offers a choice of different solution algorithms, an algorithm of a higher degree of inherent parallelism should be selected. It is found that in structural analysis, an 'analog computer' style of programming, which solves problems by direct simulation of the terms in the governing differential equations, yields a more favorable solution algorithm than current solution methods. This style of programming is facilitated by a 'drag-and-drop' graphic programming language that is supplied with the particular type of FPGA computer reported in this paper. Simple examples in structural dynamics and statics illustrate the solution approach used. The FPGA system also allows linear scalability in computing capability. As the problem grows, the number of FPGA chips can be increased with no loss of computing efficiency due to data flow or algorithmic latency that occurs when a single problem is distributed among many conventional processors that operate in parallel. This initial assessment finds the FPGA hardware and software to be in their infancy in regard to the user conveniences; however, they have enormous potential for shrinking the elapsed time of structural analysis solutions if programmed with algorithms that exhibit inherent parallelism and linear scalability. This potential warrants further development of FPGA-tailored algorithms for structural analysis.

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.

On Revenue-Optimal Dynamic Auctions for Bidders with Interdependent Values

NASA Astrophysics Data System (ADS)

Constantin, Florin; Parkes, David C.

In a dynamic market, being able to update one's value based on information available to other bidders currently in the market can be critical to having profitable transactions. This is nicely captured by the model of interdependent values (IDV): a bidder's value can explicitly depend on the private information of other bidders. In this paper we present preliminary results about the revenue properties of dynamic auctions for IDV bidders. We adopt a computational approach to design single-item revenue-optimal dynamic auctions with known arrivals and departures but (private) signals that arrive online. In leveraging a characterization of truthful auctions, we present a mixed-integer programming formulation of the design problem. Although a discretization is imposed on bidder signals the solution is a mechanism applicable to continuous signals. The formulation size grows exponentially in the dependence of bidders' values on other bidders' signals. We highlight general properties of revenue-optimal dynamic auctions in a simple parametrized example and study the sensitivity of prices and revenue to model parameters.

Investigation of glucose binding sites on insulin.

PubMed

Zoete, Vincent; Meuwly, Markus; Karplus, Martin

2004-05-15

Possible insulin binding sites for D-glucose have been investigated theoretically by docking and molecular dynamics (MD) simulations. Two different docking programs for small molecules were used; Multiple Copy Simultaneous Search (MCSS) and Solvation Energy for Exhaustive Docking (SEED) programs. The configurations resulting from the MCSS search were evaluated with a scoring function developed to estimate the binding free energy. SEED calculations were performed using various values for the dielectric constant of the solute. It is found that scores emphasizing non-polar interactions gave a preferential binding site in agreement with that inferred from recent fluorescence and NMR NOESY experiments. The calculated binding affinity of -1.4 to -3.5 kcal/mol is within the measured range of -2.0 +/- 0.5 kcal/mol. The validity of the binding site is suggested by the dynamical stability of the bound glucose when examined with MD simulations with explicit solvent. Alternative binding sites were found in the simulations and their relative stabilities were estimated. The motions of the bound glucose during molecular dynamics simulations are correlated with the motions of the insulin side chains that are in contact with it and with larger scale insulin motions. These results raise the question of whether glucose binding to insulin could play a role in its activity. The results establish the complementarity of molecular dynamics simulations and normal mode analyses with the search for binding sites proposed with small molecule docking programs. Copyright 2004 Wiley-Liss, Inc.

Comparison of nanoparticle diffusion using fluorescence correlation spectroscopy and differential dynamic microscopy within concentrated polymer solutions

NASA Astrophysics Data System (ADS)

Shokeen, Namita; Issa, Christopher; Mukhopadhyay, Ashis

2017-12-01

We studied the diffusion of nanoparticles (NPs) within aqueous entangled solutions of polyethylene oxide (PEO) by using two different optical techniques. Fluorescence correlation spectroscopy, a method widely used to investigate nanoparticle dynamics in polymer solution, was used to measure the long-time diffusion coefficient (D) of 25 nm radius particles within high molecular weight, Mw = 600 kg/mol PEO in water solutions. Differential dynamic microscopy (DDM) was used to determine the wave-vector dependent dynamics of NPs within the same polymer solutions. Our results showed good agreement between the two methods, including demonstration of normal diffusion and almost identical diffusion coefficients obtained by both techniques. The research extends the scope of DDM to study the dynamics and rheological properties of soft matter at a nanoscale. The measured diffusion coefficients followed a scaling theory, which can be explained by the coupling between polymer dynamics and NP motion.

Monitoring of adult Lost River and shortnose suckers in Clear Lake Reservoir, California, 2008–2010

USGS Publications Warehouse

Hewitt, David A.; Hayes, Brian S.

2013-01-01

Problems with inferring status and population dynamics from size composition data can be overcome by a robust capture-recapture program that follows the histories of PIT-tagged individuals. Inferences from such a program are currently hindered by poor detection rates during spawning seasons with low flows in Willow Creek, which indicate that a key assumption of capture-recapture models is violated. We suggest that the most straightforward solution to this issue would be to collect detection data during the spawning season using remote PIT tag antennas in the strait between the west and east lobes of the lake.

Computer code for gas-liquid two-phase vortex motions: GLVM

NASA Technical Reports Server (NTRS)

Yeh, T. T.

1986-01-01

A computer program aimed at the phase separation between gas and liquid at zero gravity, induced by vortex motion, is developed. It utilizes an explicit solution method for a set of equations describing rotating gas-liquid flows. The vortex motion is established by a tangential fluid injection. A Lax-Wendroff two-step (McCormack's) numerical scheme is used. The program can be used to study the fluid dynamical behavior of the rotational two-phase fluids in a cylindrical tank. It provides a quick/easy sensitivity test on various parameters and thus provides the guidance for the design and use of actual physical systems for handling two-phase fluids.

Turbulence coefficients and stability studies for the coaxial flow or dissimiliar fluids. [gaseous core nuclear reactors

NASA Technical Reports Server (NTRS)

Weinstein, H.; Lavan, Z.

1975-01-01

Analytical investigations of fluid dynamics problems of relevance to the gaseous core nuclear reactor program are presented. The vortex type flow which appears in the nuclear light bulb concept is analyzed along with the fluid flow in the fuel inlet region for the coaxial flow gaseous core nuclear reactor concept. The development of numerical methods for the solution of the Navier-Stokes equations for appropriate geometries is extended to the case of rotating flows and almost completes the gas core program requirements in this area. The investigations demonstrate that the conceptual design of the coaxial flow reactor needs further development.

Three-dimensional interactive Molecular Dynamics program for the study of defect dynamics in crystals

NASA Astrophysics Data System (ADS)

Patriarca, M.; Kuronen, A.; Robles, M.; Kaski, K.

2007-01-01

The study of crystal defects and the complex processes underlying their formation and time evolution has motivated the development of the program ALINE for interactive molecular dynamics experiments. This program couples a molecular dynamics code to a Graphical User Interface and runs on a UNIX-X11 Window System platform with the MOTIF library, which is contained in many standard Linux releases. ALINE is written in C, thus giving the user the possibility to modify the source code, and, at the same time, provides an effective and user-friendly framework for numerical experiments, in which the main parameters can be interactively varied and the system visualized in various ways. We illustrate the main features of the program through some examples of detection and dynamical tracking of point-defects, linear defects, and planar defects, such as stacking faults in lattice-mismatched heterostructures. Program summaryTitle of program:ALINE Catalogue identifier:ADYJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADYJ_v1_0 Program obtainable from: CPC Program Library, Queen University of Belfast, N. Ireland Computer for which the program is designed and others on which it has been tested: Computers:DEC ALPHA 300, Intel i386 compatible computers, G4 Apple Computers Installations:Laboratory of Computational Engineering, Helsinki University of Technology, Helsinki, Finland Operating systems under which the program has been tested:True64 UNIX, Linux-i386, Mac OS X 10.3 and 10.4 Programming language used:Standard C and MOTIF libraries Memory required to execute with typical data:6 Mbytes but may be larger depending on the system size No. of lines in distributed program, including test data, etc.:16 901 No. of bytes in distributed program, including test data, etc.:449 559 Distribution format:tar.gz Nature of physical problem:Some phenomena involving defects take place inside three-dimensional crystals at times which can be hardly predicted. For this reason they are difficult to detect and track even within numerical experiments, especially when one is interested in studying their dynamical properties and time evolution. Furthermore, traditional simulation methods require the storage of a huge amount of data which in turn may imply a long work for their analysis. Method of solution:Simplifications of the simulation work described above strongly depend also on the computer performance. It has now become possible to realize some of such simplifications thanks to the real possibility of using interactive programs. The solution proposed here is based on the development of an interactive graphical simulation program both for avoiding large storage of data and the subsequent elaboration and analysis as well as for visualizing and tracking many phenomena inside three-dimensional samples. However, the full computational power of traditional simulation programs may not be available in general in programs with graphical user interfaces, due to their interactive nature. Nevertheless interactive programs can still be very useful for detecting processes difficult to visualize, restricting the range or making a fine tuning of the parameters, and tailoring the faster programs toward precise targets. Restrictions on the complexity of the problem:The restrictions on the applicability of the program are related to the computer resources available. The graphical interface and interactivity demand computational resources that depend on the particular numerical simulation to be performed. To preserve a balance between speed and resources, the choice of the number of atoms to be simulated is critical. With an average current computer, simulations of systems with more than 10 5 atoms may not be easily feasible on an interactive scheme. Another restriction is related to the fact that the program was originally designed to simulate systems in the solid phase, so that problems in the simulation may occur if some particular physical quantities are computed beyond the melting point. Typical running time:It depends on the machine architecture, system size, and user needs. Unusual features of the program:In the program, besides the window in which the system is represented in real space, an additional graphical window presenting the real time distribution histogram for different physical variables (such as kinetic or potential energy) is included. Such tool is very interesting for making demonstrative numerical experiments for teaching purposes as well as for research, e.g., for detecting and tracking crystal defects. The program includes: an initial condition builder, an interactive display of the simulation, a set of tools which allow the user to filter through different physical quantities the information—either displayed in real time or printed in the output files—and to perform an efficient search of the interesting regions of parameter space.

Protein-style dynamical transition in a non-biological polymer and a non-aqueous solvent

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

Mamontov, E.; Sharma, V. K.; Borreguero, J. M.

Using neutron scattering and molecular dynamics simulation, techniques most often associated with protein dynamical transition studies, we have investigated the microscopic dynamics of one of the most common polymers, polystyrene, which was exposed to toluene vapor, mimicking the process of protein hydration from water vapor. Polystyrene with adsorbed toluene is an example of a solvent-solute system, which, unlike biopolymers, is anhydrous and lacks hydrogen bonding. Nevertheless, it exhibits the essential traits of the dynamical transition in biomolecules, such as a specific dependence of the microscopic dynamics of both solvent and host on the temperature and the amount of solvent adsorbed.more » Ultimately, we conclude that the protein dynamical transition is a manifestation of a universal solvent-solute dynamical relationship, which is not specific to either biomolecules as solute, or aqueous media as solvent, or even a particular type of interactions between solvent and solute.« less

Protein-style dynamical transition in a non-biological polymer and a non-aqueous solvent

DOE PAGES

Mamontov, E.; Sharma, V. K.; Borreguero, J. M.; ...

2016-03-15

Using neutron scattering and molecular dynamics simulation, techniques most often associated with protein dynamical transition studies, we have investigated the microscopic dynamics of one of the most common polymers, polystyrene, which was exposed to toluene vapor, mimicking the process of protein hydration from water vapor. Polystyrene with adsorbed toluene is an example of a solvent-solute system, which, unlike biopolymers, is anhydrous and lacks hydrogen bonding. Nevertheless, it exhibits the essential traits of the dynamical transition in biomolecules, such as a specific dependence of the microscopic dynamics of both solvent and host on the temperature and the amount of solvent adsorbed.more » Ultimately, we conclude that the protein dynamical transition is a manifestation of a universal solvent-solute dynamical relationship, which is not specific to either biomolecules as solute, or aqueous media as solvent, or even a particular type of interactions between solvent and solute.« less

Marshall Space Flight Center Faculty Fellowship Program

NASA Technical Reports Server (NTRS)

Six, N. F. (Compiler)

2015-01-01

The Faculty Fellowship program was revived in the summer of 2015 at NASA Marshall Space Flight Center, following a period of diminished faculty research activity here since 2006 when budget cuts in the Headquarters' Education Office required realignment. Several senior Marshall managers recognized the need to involve the Nation's academic research talent in NASA's missions and projects to the benefit of both entities. These managers invested their funds required to establish the renewed Faculty Fellowship program in 2015, a 10-week residential research involvement of 16 faculty in the laboratories and offices at Marshall. These faculty engineers and scientists worked with NASA collaborators on NASA projects, bringing new perspectives and solutions to bear. This Technical Memorandum is a compilation of the research reports of the 2015 Marshall Faculty Fellowship program, along with the Program Announcement (appendix A) and the Program Description (appendix B). The research touched on seven areas-propulsion, materials, instrumentation, fluid dynamics, human factors, control systems, and astrophysics. The propulsion studies included green propellants, gas bubble dynamics, and simulations of fluid and thermal transients. The materials investigations involved sandwich structures in composites, plug and friction stir welding, and additive manufacturing, including both strength characterization and thermosets curing in space. The instrumentation projects involved spectral interfero- metry, emissivity, and strain sensing in structures. The fluid dynamics project studied the water hammer effect. The human factors project investigated the requirements for close proximity operations in confined spaces. Another team proposed a controls system for small launch vehicles, while in astrophysics, one faculty researcher estimated the practicality of weather modification by blocking the Sun's insolation, and another found evidence in satellite data of the detection of a warm-hot intergalactic medium filament. Our goal is to continue the Faculty Fellowship effort with Center funds in succeeding summers.

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

NASA Technical Reports Server (NTRS)

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

2016-01-01

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

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.

Measurement of the mechanical properties of car body sheet steels at high strain rates and non ambient temperature

NASA Astrophysics Data System (ADS)

Bleck, W.; Larour, P.

2003-09-01

Crash behaviour and light weight have become the major design criteria for car bodies. Modem high strength steels offer appropriate solutions for these requirements. The prediction of the crash behaviour in simulation programs requires the information on materials behaviour during dynamic testing. The reduction of the signal waviness and the inertia effects at strain rates above 50s^{-1} are major issues in dynamic tensile testing. Damping techniques or load measurement on the sample itself are the common way to reduce oscillations. Strain measurement from the piston displacement or from optical devices on the specimen itself are also compared. Advantages and drawbacks of those various measurement techniques are presented.

Artificial Intelligence In Computational Fluid Dynamics

NASA Technical Reports Server (NTRS)

Vogel, Alison Andrews

1991-01-01

Paper compares four first-generation artificial-intelligence (Al) software systems for computational fluid dynamics. Includes: Expert Cooling Fan Design System (EXFAN), PAN AIR Knowledge System (PAKS), grid-adaptation program MITOSIS, and Expert Zonal Grid Generation (EZGrid). Focuses on knowledge-based ("expert") software systems. Analyzes intended tasks, kinds of knowledge possessed, magnitude of effort required to codify knowledge, how quickly constructed, performances, and return on investment. On basis of comparison, concludes Al most successful when applied to well-formulated problems solved by classifying or selecting preenumerated solutions. In contrast, application of Al to poorly understood or poorly formulated problems generally results in long development time and large investment of effort, with no guarantee of success.

Analysis of impact of general-purpose graphics processor units in supersonic flow modeling

NASA Astrophysics Data System (ADS)

Emelyanov, V. N.; Karpenko, A. G.; Kozelkov, A. S.; Teterina, I. V.; Volkov, K. N.; Yalozo, A. V.

2017-06-01

Computational methods are widely used in prediction of complex flowfields associated with off-normal situations in aerospace engineering. Modern graphics processing units (GPU) provide architectures and new programming models that enable to harness their large processing power and to design computational fluid dynamics (CFD) simulations at both high performance and low cost. Possibilities of the use of GPUs for the simulation of external and internal flows on unstructured meshes are discussed. The finite volume method is applied to solve three-dimensional unsteady compressible Euler and Navier-Stokes equations on unstructured meshes with high resolution numerical schemes. CUDA technology is used for programming implementation of parallel computational algorithms. Solutions of some benchmark test cases on GPUs are reported, and the results computed are compared with experimental and computational data. Approaches to optimization of the CFD code related to the use of different types of memory are considered. Speedup of solution on GPUs with respect to the solution on central processor unit (CPU) is compared. Performance measurements show that numerical schemes developed achieve 20-50 speedup on GPU hardware compared to CPU reference implementation. The results obtained provide promising perspective for designing a GPU-based software framework for applications in CFD.

PLATYPUS: A code for reaction dynamics of weakly-bound nuclei at near-barrier energies within a classical dynamical model

NASA Astrophysics Data System (ADS)

Diaz-Torres, Alexis

2011-04-01

A self-contained Fortran-90 program based on a three-dimensional classical dynamical reaction model with stochastic breakup is presented, which is a useful tool for quantifying complete and incomplete fusion, and breakup in reactions induced by weakly-bound two-body projectiles near the Coulomb barrier. The code calculates (i) integrated complete and incomplete fusion cross sections and their angular momentum distribution, (ii) the excitation energy distribution of the primary incomplete-fusion products, (iii) the asymptotic angular distribution of the incomplete-fusion products and the surviving breakup fragments, and (iv) breakup observables, such as angle, kinetic energy and relative energy distributions. Program summaryProgram title: PLATYPUS Catalogue identifier: AEIG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIG_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.: 332 342 No. of bytes in distributed program, including test data, etc.: 344 124 Distribution format: tar.gz Programming language: Fortran-90 Computer: Any Unix/Linux workstation or PC with a Fortran-90 compiler Operating system: Linux or Unix RAM: 10 MB Classification: 16.9, 17.7, 17.8, 17.11 Nature of problem: The program calculates a wide range of observables in reactions induced by weakly-bound two-body nuclei near the Coulomb barrier. These include integrated complete and incomplete fusion cross sections and their spin distribution, as well as breakup observables (e.g. the angle, kinetic energy, and relative energy distributions of the fragments). Solution method: All the observables are calculated using a three-dimensional classical dynamical model combined with the Monte Carlo sampling of probability-density distributions. See Refs. [1,2] for further details. Restrictions: The program is suited for a weakly-bound two-body projectile colliding with a stable target. The initial orientation of the segment joining the two breakup fragments is considered to be isotropic. Additional comments: Several source routines from Numerical Recipies, and the Mersenne Twister random number generator package are included to enable independent compilation. Running time: About 75 minutes for input provided, using a PC with 1.5 GHz processor.

Optimal Power Control in Wireless Powered Sensor Networks: A Dynamic Game-Based Approach

PubMed Central

Xu, Haitao; Guo, Chao; Zhang, Long

2017-01-01

In wireless powered sensor networks (WPSN), it is essential to research uplink transmit power control in order to achieve throughput performance balancing and energy scheduling. Each sensor should have an optimal transmit power level for revenue maximization. In this paper, we discuss a dynamic game-based algorithm for optimal power control in WPSN. The main idea is to use the non-cooperative differential game to control the uplink transmit power of wireless sensors in WPSN, to extend their working hours and to meet QoS (Quality of Services) requirements. Subsequently, the Nash equilibrium solutions are obtained through Bellman dynamic programming. At the same time, an uplink power control algorithm is proposed in a distributed manner. Through numerical simulations, we demonstrate that our algorithm can obtain optimal power control and reach convergence for an infinite horizon. PMID:28282945

Modeling Molecules

NASA Technical Reports Server (NTRS)

2000-01-01

The molecule modeling method known as Multibody Order (N) Dynamics, or MBO(N)D, was developed by Moldyn, Inc. at Goddard Space Flight Center through funding provided by the SBIR program. The software can model the dynamics of molecules through technology which stimulates low-frequency molecular motions and properties, such as movements among a molecule's constituent parts. With MBO(N)D, a molecule is substructured into a set of interconnected rigid and flexible bodies. These bodies replace the computation burden of mapping individual atoms. Moldyn's technology cuts computation time while increasing accuracy. The MBO(N)D technology is available as Insight II 97.0 from Molecular Simulations, Inc. Currently the technology is used to account for forces on spacecraft parts and to perform molecular analyses for pharmaceutical purposes. It permits the solution of molecular dynamics problems on a moderate workstation, as opposed to on a supercomputer.

The need for speed: informed land acquisitions for conservation in a dynamic property market.

PubMed

McDonald-Madden, Eve; Bode, Michael; Game, Edward T; Grantham, Hedley; Possingham, Hugh P

2008-11-01

Land acquisition is a common approach to biodiversity conservation but is typically subject to property availability on the public market. Consequently, conservation plans are often unable to be implemented as intended. When properties come on the market, conservation agencies must make a choice: purchase immediately, often without a detailed knowledge of its biodiversity value; survey the parcel and accept the risk that it may be removed from the market during this process; or not purchase and hope a better parcel comes on the market at a later date. We describe both an optimal method, using stochastic dynamic programming, and a simple rule of thumb for making such decisions. The solutions to this problem illustrate how optimal conservation is necessarily dynamic and requires explicit consideration of both the time period allowed for implementation and the availability of properties.

Studies in nonlinear problems of energy. Final report

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

Matkowsky, B.J.

1998-12-01

The author completed a successful research program on Nonlinear Problems of Energy, with emphasis on combustion and flame propagation. A total of 183 papers associated with the grant has appeared in the literature, and the efforts have twice been recognized by DOE`s Basic Science Division for Top Accomplishment. In the research program the author concentrated on modeling, analysis and computation of combustion phenomena, with particular emphasis on the transition from laminar to turbulent combustion. Thus he investigated the nonlinear dynamics and pattern formation in the successive stages of transition. He described the stability of combustion waves, and transitions to wavesmore » exhibiting progressively higher degrees of spatio-temporal complexity. Combustion waves are characterized by large activation energies, so that chemical reactions are significant only in thin layers, termed reaction zones. In the limit of infinite activation energy, the zones shrink to moving surfaces, termed fronts, which must be found during the course of the analysis, so that the problems are moving free boundary problems. The analytical studies were carried out for the limiting case with fronts, while the numerical studies were carried out for the case of finite, though large, activation energy. Accurate resolution of the solution in the reaction zone(s) is essential, otherwise false predictions of dynamical behavior are possible. Since the reaction zones move, and their location is not known a-priori, the author has developed adaptive pseudo-spectral methods, which have proven to be very useful for the accurate, efficient computation of solutions of combustion, and other, problems. The approach is based on a combination of analytical and numerical methods. The numerical computations built on and extended the information obtained analytically. Furthermore, the solutions obtained analytically served as benchmarks for testing the accuracy of the solutions determined computationally. Finally, the computational results suggested new analysis to be considered. A cumulative list of publications citing the grant make up the contents of this report.« less

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 modified dynamical model of drying process of polymer blend solution coated on a flat substrate

NASA Astrophysics Data System (ADS)

Kagami, Hiroyuki

2008-05-01

We have proposed and modified a model of drying process of polymer solution coated on a flat substrate for flat polymer film fabrication. And for example numerical simulation of the model reproduces a typical thickness profile of the polymer film formed after drying. Then we have clarified dependence of distribution of polymer molecules on a flat substrate on a various parameters based on analysis of numerical simulations. Then we drove nonlinear equations of drying process from the dynamical model and the fruits were reported. The subject of above studies was limited to solution having one kind of solute though the model could essentially deal with solution having some kinds of solutes. But nowadays discussion of drying process of a solution having some kinds of solutes is needed because drying process of solution having some kinds of solutes appears in many industrial scenes. Polymer blend solution is one instance. And typical resist consists of a few kinds of polymers. Then we introduced a dynamical model of drying process of polymer blend solution coated on a flat substrate and results of numerical simulations of the dynamical model. But above model was the simplest one. In this study, we modify above dynamical model of drying process of polymer blend solution adding effects that some parameters change with time as functions of some variables to it. Then we consider essence of drying process of polymer blend solution through comparison between results of numerical simulations of the modified model and those of the former model.

Parallel Computing Strategies for Irregular Algorithms

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Oliker, Leonid; Shan, Hongzhang; Biegel, Bryan (Technical Monitor)

2002-01-01

Parallel computing promises several orders of magnitude increase in our ability to solve realistic computationally-intensive problems, but relies on their efficient mapping and execution on large-scale multiprocessor architectures. Unfortunately, many important applications are irregular and dynamic in nature, making their effective parallel implementation a daunting task. Moreover, with the proliferation of parallel architectures and programming paradigms, the typical scientist is faced with a plethora of questions that must be answered in order to obtain an acceptable parallel implementation of the solution algorithm. In this paper, we consider three representative irregular applications: unstructured remeshing, sparse matrix computations, and N-body problems, and parallelize them using various popular programming paradigms on a wide spectrum of computer platforms ranging from state-of-the-art supercomputers to PC clusters. We present the underlying problems, the solution algorithms, and the parallel implementation strategies. Smart load-balancing, partitioning, and ordering techniques are used to enhance parallel performance. Overall results demonstrate the complexity of efficiently parallelizing irregular algorithms.

Electro-osmotically driven liquid delivery method and apparatus

DOEpatents

Rakestraw, D.J.; Anex, D.S.; Yan, C.; Dadoo, R.; Zare, R.N.

1999-08-24

Method and apparatus are disclosed for controlling precisely the composition and delivery of liquid at sub-{micro}L/min flow rate. One embodiment of such a delivery system is an electro-osmotically driven gradient flow delivery system that generates dynamic gradient flows with sub-{micro}L/min flow rates by merging a plurality of electro-osmotic flows. These flows are delivered by a plurality of delivery arms attached to a mixing connector, where they mix and then flow into a receiving means, preferably a column. Each inlet of the plurality of delivery arms is placed in a corresponding solution reservoir. A plurality of independent programmable high-voltage power supplies is used to apply a voltage program to each of the plurality of solution reservoirs to regulate the electro-osmotic flow in each delivery arm. The electro-osmotic flow rates in the delivery arms are changed with time according to each voltage program to deliver the required gradient profile to the column. 4 figs.

Protein-Style Dynamical Transition in a Non-Biological Polymer and a Non-Aqueous Solvent.

PubMed

Mamontov, E; Sharma, V K; Borreguero, J M; Tyagi, M

2016-03-31

Temperature-dependent onset of apparent anharmonicity in the microscopic dynamics of hydrated proteins and other biomolecules has been known as protein dynamical transition for the last quarter of a century. Using neutron scattering and molecular dynamics simulation, techniques most often associated with protein dynamical transition studies, we have investigated the microscopic dynamics of one of the most common polymers, polystyrene, which was exposed to toluene vapor, mimicking the process of protein hydration from water vapor. Polystyrene with adsorbed toluene is an example of a solvent-solute system, which, unlike biopolymers, is anhydrous and lacks hydrogen bonding. Nevertheless, it exhibits the essential traits of the dynamical transition in biomolecules, such as a specific dependence of the microscopic dynamics of both solvent and host on the temperature and the amount of solvent adsorbed. We conclude that the protein dynamical transition is a manifestation of a universal solvent-solute dynamical relationship, which is not specific to either biomolecules as solute, or aqueous media as solvent, or even a particular type of interactions between solvent and solute.

Precise satellite orbit determination with particular application to ERS-1

NASA Astrophysics Data System (ADS)

Fernandes, Maria Joana Afonso Pereira

The motivation behind this study is twofold. First to assess the accuracy of ERS-1 long arc ephemerides using state of the art models. Second, to develop improved methods for determining precise ERS-1 orbits using either short or long arc techniques. The SATAN programs, for the computation of satellite orbits using laser data were used. Several facilities were added to the original programs: the processing of PRARE range and altimeter data, and a number of algorithms that allow more flexible solutions by adjusting a number of additional parameters. The first part of this study, before the launch of ERS-1, was done with SEAS AT data. The accuracy of SEASAT orbits computed with PRARE simulated data has been determined. The effect of temporal distribution of tracking data along the arc and the extent to which altimetry can replace range data have been investigated. The second part starts with the computation of ERS-1 long arc solutions using laser data. Some aspects of modelling the two main forces affecting ERS-l's orbit are investigated. With regard to the gravitational forces, the adjustment of a set of geopotential coefficients has been considered. With respect to atmospheric drag, extensive research has been carried out on determining the influence on orbit accuracy of the measurements of solar fluxes (P10.7 indices) and geomagnetic activity (Kp indices) used by the atmospheric model in the computation of atmospheric density at satellite height. Two new short arc methods have been developed: the Constrained and the Bayesian method. Both methods are dynamic and consist of solving for the 6 osculating elements. Using different techniques, both methods overcome the problem of normal matrix ill- conditioning by constraining the solution. The accuracy and applicability of these methods are discussed and compared with the traditional non-dynamic TAR method.

Real-time control of optimal low-thrust transfer to the Sun-Earth L 1 halo orbit in the bicircular four-body problem

NASA Astrophysics Data System (ADS)

Salmani, Majid; Büskens, Christof

2011-11-01

In this article, after describing a procedure to construct trajectories for a spacecraft in the four-body model, a method to correct the trajectory violations is presented. To construct the trajectories, periodic orbits as the solutions of the three-body problem are used. On the other hand, the bicircular model based on the Sun-Earth rotating frame governs the dynamics of the spacecraft and other bodies. A periodic orbit around the first libration-point L1 is the destination of the mission which is one of the equilibrium points in the Sun-Earth/Moon three-body problem. In the way to reach such a far destination, there are a lot of disturbances such as solar radiation and winds that make the plans untrustworthy. However, the solar radiation pressure is considered in the system dynamics. To prevail over these difficulties, considering the whole transfer problem as an optimal control problem makes the designer to be able to correct the unavoidable violations from the pre-designed trajectory and strategies. The optimal control problem is solved by a direct method, transcribing it into a nonlinear programming problem. This transcription gives an unperturbed optimal trajectory and its sensitivities with respect perturbations. Modeling these perturbations as parameters embedded in a parametric optimal control problem, one can take advantage of the parametric sensitivity analysis of nonlinear programming problem to recalculate the optimal trajectory with a very smaller amount of computation costs. This is obtained by evaluating a first-order Taylor expansion of the perturbed solution in an iterative process which is aimed to achieve an admissible solution. At the end, the numerical results show the applicability of the presented method.

NMR structure of biosynthetic engineered human insulin monomer B31(Lys)-B32(Arg) in water/acetonitrile solution. Comparison with the solution structure of native human insulin monomer.

PubMed

Bocian, Wojciech; Borowicz, Piotr; Mikołajczyk, Jerzy; Sitkowski, Jerzy; Tarnowska, Anna; Bednarek, Elzbieta; Głabski, Tadeusz; Tejchman-Małecka, Bozena; Bogiel, Monika; Kozerski, Lech

2008-10-01

A solution NMR-derived structure of a new long -acting, B31(Lys)-B32(Arg) (LysArg), engineered human insulin monomer, in H(2)O/CD(3)CN, 65/35 vol %, pH 3.6, is presented and compared with the available X-ray structure of a monomer that forms part of a hexamer (Smith, et al., Acta Crystallogr D 2003, 59, 474) and with NMR structure of human insulin in the same solvent (Bocian, et al., J Biomol NMR 2008, 40, 55-64). Detailed analysis using PFGSE NMR (Pulsed Field Gradient Spin Echo NMR) in dilution experiments and CSI analysis prove that the structure is monomeric in the concentration range 0.1-3 mM. The presence of long-range interstrand NOEs in a studied structure, relevant to the distances found in the crystal structure of the monomer, provides the evidence for conservation of the tertiary structure. Therefore the results suggest that this solvent system is a suitable medium for studying the native conformation of the protein, especially in situations (as found for insulins) in which extensive aggregation renders structure elucidations in water difficult or impossible. Starting from the structures calculated by the program CYANA, two different molecular dynamics (MD) simulated annealing refinement protocols were applied, either using the program AMBER in vacuum (AMBER_VC), or including a generalized Born solvent model (AMBER_GB). Here we present another independent evidence to the one presented recently by us (Bocian et al., J Biomol NMR 2008, 40, 55-64), that in water/acetonitrile solvent detailed structural and dynamic information can be obtained for important proteins that are naturally present as oligomers under native conditions. (c) 2008 Wiley Periodicals, Inc.

Mixed Integer Programming and Heuristic Scheduling for Space Communication

NASA Technical Reports Server (NTRS)

Lee, Charles H.; Cheung, Kar-Ming

2013-01-01

Optimal planning and scheduling for a communication network was created where the nodes within the network are communicating at the highest possible rates while meeting the mission requirements and operational constraints. The planning and scheduling problem was formulated in the framework of Mixed Integer Programming (MIP) to introduce a special penalty function to convert the MIP problem into a continuous optimization problem, and to solve the constrained optimization problem using heuristic optimization. The communication network consists of space and ground assets with the link dynamics between any two assets varying with respect to time, distance, and telecom configurations. One asset could be communicating with another at very high data rates at one time, and at other times, communication is impossible, as the asset could be inaccessible from the network due to planetary occultation. Based on the network's geometric dynamics and link capabilities, the start time, end time, and link configuration of each view period are selected to maximize the communication efficiency within the network. Mathematical formulations for the constrained mixed integer optimization problem were derived, and efficient analytical and numerical techniques were developed to find the optimal solution. By setting up the problem using MIP, the search space for the optimization problem is reduced significantly, thereby speeding up the solution process. The ratio of the dimension of the traditional method over the proposed formulation is approximately an order N (single) to 2*N (arraying), where N is the number of receiving antennas of a node. By introducing a special penalty function, the MIP problem with non-differentiable cost function and nonlinear constraints can be converted into a continuous variable problem, whose solution is possible.

Earth-moon system: Dynamics and parameter estimation

NASA Technical Reports Server (NTRS)

Breedlove, W. J., Jr.

1975-01-01

A theoretical development of the equations of motion governing the earth-moon system is presented. The earth and moon were treated as finite rigid bodies and a mutual potential was utilized. The sun and remaining planets were treated as particles. Relativistic, non-rigid, and dissipative effects were not included. The translational and rotational motion of the earth and moon were derived in a fully coupled set of equations. Euler parameters were used to model the rotational motions. The mathematical model is intended for use with data analysis software to estimate physical parameters of the earth-moon system using primarily LURE type data. Two program listings are included. Program ANEAMO computes the translational/rotational motion of the earth and moon from analytical solutions. Program RIGEM numerically integrates the fully coupled motions as described above.

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.

Experiments on high speed ejectors

NASA Technical Reports Server (NTRS)

Wu, J. J.

1986-01-01

Experimental studies were conducted to investigate the flow and the performance of thrust augmenting ejectors for flight Mach numbers in the range of 0.5 to 0.8, primary air stagnation pressures up to 107 psig (738 kPa), and primary air stagnation temperatures up to 1250 F (677 C). The experiment verified the existence of the second solution ejector flow, where the flow after complete mixing is supersonic. Thrust augmentation in excess of 1.2 was demonstrated for both hot and cold primary jets. The experimental ejector performed better than the corresponding theoretical optimal first solution ejector, where the mixed flow is subsonic. Further studies are required to realize the full potential of the second solution ejector. The research program was started by the Flight Dynamics Research Corporation (FDRC) to investigate the characteristic of a high speed ejector which augments thrust of a jet at high flight speeds.

Performance bounds for nonlinear systems with a nonlinear ℒ2-gain property

NASA Astrophysics Data System (ADS)

Zhang, Huan; Dower, Peter M.

2012-09-01

Nonlinear ℒ2-gain is a finite gain concept that generalises the notion of conventional (linear) finite ℒ2-gain to admit the application of ℒ2-gain analysis tools of a broader class of nonlinear systems. The computation of tight comparison function bounds for this nonlinear ℒ2-gain property is important in applications such as small gain design. This article presents an approximation framework for these comparison function bounds through the formulation and solution of an optimal control problem. Key to the solution of this problem is the lifting of an ℒ2-norm input constraint, which is facilitated via the introduction of an energy saturation operator. This admits the solution of the optimal control problem of interest via dynamic programming and associated numerical methods, leading to the computation of the proposed bounds. Two examples are presented to demonstrate this approach.

Dynamics of Nanoparticles in Entangled Polymer Solutions

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

Nath, Pooja; Mangal, Rahul; Kohle, Ferdinand

The mean square displacement < r 2 > of nanoparticle probes dispersed in simple isotropic liquids and in polymer solutions is interrogated using fluorescence correlation spectroscopy and single-particle tracking (SPT) experiments. Probe dynamics in different regimes of particle diameter (d), relative to characteristic polymer length scales, including the correlation length (ξ), the entanglement mesh size (a), and the radius of gyration (R g), are investigated. In simple fluids and for polymer solutions in which d >> R g, long-time particle dynamics obey random-walk statistics < r 2 >:t, with the bulk zero-shear viscosity of the polymer solution determining the frictionalmore » resistance to particle motion. In contrast, in polymer solutions with d < R g, polymer molecules in solution exert noncontinuum resistances to particle motion and nanoparticle probes appear to interact hydrodynamically only with a local fluid medium with effective drag comparable to that of a solution of polymer chain segments with sizes similar to those of the nanoparticle probes. Under these conditions, the nanoparticles exhibit orders of magnitude faster dynamics than those expected from continuum predictions based on the Stokes–Einstein relation. SPT measurements further show that when d > a, nanoparticle dynamics transition from diffusive to subdiffusive on long timescales, reminiscent of particle transport in a field with obstructions. This last finding is in stark contrast to the nanoparticle dynamics observed in entangled polymer melts, where X-ray photon correlation spectroscopy measurements reveal faster but hyperdiffusive dynamics. As a result, we analyze these results with the help of the hopping model for particle dynamics in polymers proposed by Cai et al. and, on that basis, discuss the physical origins of the local drag experienced by the nanoparticles in entangled polymer solutions.« less

Dynamics of Nanoparticles in Entangled Polymer Solutions

DOE PAGES

Nath, Pooja; Mangal, Rahul; Kohle, Ferdinand; ...

2017-12-01

The mean square displacement < r 2 > of nanoparticle probes dispersed in simple isotropic liquids and in polymer solutions is interrogated using fluorescence correlation spectroscopy and single-particle tracking (SPT) experiments. Probe dynamics in different regimes of particle diameter (d), relative to characteristic polymer length scales, including the correlation length (ξ), the entanglement mesh size (a), and the radius of gyration (R g), are investigated. In simple fluids and for polymer solutions in which d >> R g, long-time particle dynamics obey random-walk statistics < r 2 >:t, with the bulk zero-shear viscosity of the polymer solution determining the frictionalmore » resistance to particle motion. In contrast, in polymer solutions with d < R g, polymer molecules in solution exert noncontinuum resistances to particle motion and nanoparticle probes appear to interact hydrodynamically only with a local fluid medium with effective drag comparable to that of a solution of polymer chain segments with sizes similar to those of the nanoparticle probes. Under these conditions, the nanoparticles exhibit orders of magnitude faster dynamics than those expected from continuum predictions based on the Stokes–Einstein relation. SPT measurements further show that when d > a, nanoparticle dynamics transition from diffusive to subdiffusive on long timescales, reminiscent of particle transport in a field with obstructions. This last finding is in stark contrast to the nanoparticle dynamics observed in entangled polymer melts, where X-ray photon correlation spectroscopy measurements reveal faster but hyperdiffusive dynamics. As a result, we analyze these results with the help of the hopping model for particle dynamics in polymers proposed by Cai et al. and, on that basis, discuss the physical origins of the local drag experienced by the nanoparticles in entangled polymer solutions.« less

Scilab software package for the study of dynamical systems

NASA Astrophysics Data System (ADS)

Bordeianu, C. C.; Beşliu, C.; Jipa, Al.; Felea, D.; Grossu, I. V.

2008-05-01

This work presents a new software package for the study of chaotic flows and maps. The codes were written using Scilab, a software package for numerical computations providing a powerful open computing environment for engineering and scientific applications. It was found that Scilab provides various functions for ordinary differential equation solving, Fast Fourier Transform, autocorrelation, and excellent 2D and 3D graphical capabilities. The chaotic behaviors of the nonlinear dynamics systems were analyzed using phase-space maps, autocorrelation functions, power spectra, Lyapunov exponents and Kolmogorov-Sinai entropy. Various well known examples are implemented, with the capability of the users inserting their own ODE. Program summaryProgram title: Chaos Catalogue identifier: AEAP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAP_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.: 885 No. of bytes in distributed program, including test data, etc.: 5925 Distribution format: tar.gz Programming language: Scilab 3.1.1 Computer: PC-compatible running Scilab on MS Windows or Linux Operating system: Windows XP, Linux RAM: below 100 Megabytes Classification: 6.2 Nature of problem: Any physical model containing linear or nonlinear ordinary differential equations (ODE). Solution method: Numerical solving of ordinary differential equations. The chaotic behavior of the nonlinear dynamical system is analyzed using Poincaré sections, phase-space maps, autocorrelation functions, power spectra, Lyapunov exponents and Kolmogorov-Sinai entropies. Restrictions: The package routines are normally able to handle ODE systems of high orders (up to order twelve and possibly higher), depending on the nature of the problem. Running time: 10 to 20 seconds for problems that do not involve Lyapunov exponents calculation; 60 to 1000 seconds for problems that involve high orders ODE and Lyapunov exponents calculation.

Nonideality in diffusion of ionic and hydrophobic solutes and pair dynamics in water-acetone mixtures of varying composition.

PubMed

Gupta, Rini; Chandra, Amalendu

2007-07-14

We have performed a series of molecular dynamics simulations of water-acetone mixtures containing either an ionic solute or a neutral hydrophobic solute to study the extent of nonideality in the dynamics of these solutes with variation of composition of the mixtures. The diffusion coefficients of the charged solutes, both cationic and anionic, are found to change nonmonotonically with the composition of the mixtures showing strong nonideality of their dynamics. Also, the extent of nonideality in the diffusion of these charged solutes is found to be similar to the nonideality that is observed for the diffusion and orientational relaxation of water and acetone molecules in these mixtures which show a somewhat similar changes in the solvation characteristics of charged and dipolar solutes with changes of composition of water-acetone mixtures. The diffusion of the hydrophobic solute, however, shows a monotonic increase with increase of acetone concentration showing its different solvation characteristics as compared to the charged and dipolar solutes. The links between the nonideality in diffusion and solvation structures are further confirmed through calculations of the relevant solute-solvent and solvent-solvent radial distribution functions for both ionic and hydrophobic solutes. We have also calculated various pair dynamical properties such as the relaxation of water-water and acetone-water hydrogen bonds and residence dynamics of water molecules in water and acetone hydration shells. The lifetimes of both water-water and acetone-water hydrogen bonds and also the residence times of water molecules are found to increase steadily with increase in acetone concentration. No maximum or minimum was found in the composition dependence of these pair dynamical quantities. The lifetimes of water-water hydrogen bonds are always found to be longer than that of acetone-water hydrogen bonds in these mixtures. The residence times of water molecules are also found to follow a similar trend.

Coupled rotor/fuselage dynamic analysis of the AH-1G helicopter and correlation with flight vibrations data

NASA Technical Reports Server (NTRS)

Corrigan, J. C.; Cronkhite, J. D.; Dompka, R. V.; Perry, K. S.; Rogers, J. P.; Sadler, S. G.

1989-01-01

Under a research program designated Design Analysis Methods for VIBrationS (DAMVIBS), existing analytical methods are used for calculating coupled rotor-fuselage vibrations of the AH-1G helicopter for correlation with flight test data from an AH-1G Operational Load Survey (OLS) test program. The analytical representation of the fuselage structure is based on a NASTRAN finite element model (FEM), which has been developed, extensively documented, and correlated with ground vibration test. One procedure that was used for predicting coupled rotor-fuselage vibrations using the advanced Rotorcraft Flight Simulation Program C81 and NASTRAN is summarized. Detailed descriptions of the analytical formulation of rotor dynamics equations, fuselage dynamic equations, coupling between the rotor and fuselage, and solutions to the total system of equations in C81 are included. Analytical predictions of hub shears for main rotor harmonics 2p, 4p, and 6p generated by C81 are used in conjunction with 2p OLS measured control loads and a 2p lateral tail rotor gearbox force, representing downwash impingement on the vertical fin, to excite the NASTRAN model. NASTRAN is then used to correlate with measured OLS flight test vibrations. Blade load comparisons predicted by C81 showed good agreement. In general, the fuselage vibration correlations show good agreement between anslysis and test in vibration response through 15 to 20 Hz.

"We want a living solution": views of harm reduction programs in black US Communities.

PubMed

Eversman, Michael H

2015-01-01

Illicit drug use in the US remains concerning, with injection drug use linked to transmission of blood-borne diseases as HIV/AIDS; persons of color, including Black Americans, experience disproportionately higher transmission rates. Harm reduction programs such as methadone and needle- and syringe-exchange (NEP/SEP) are empirically demonstrated to reduce HIV transmission, yet are believed largely opposed by Black communities. Using interview data from 21 service providers of substance abuse and related service organizations located in and/or serving predominantly populations of color, this study explored perceptions of harm reduction programming for illicit drugs and race in the US. Criticizing each program for unique reasons, respondents deemed them largely inadequate and inappropriate responses to community drug problems. While some believed these programs worsen Black communities, others believed they are becoming more accepted there. Views were informed by racial dynamics surrounding drugs in society, burdens borne by program host communities, and racialized stereotypes of drug use.

Dynamic modelling and simulation of linear Fresnel solar field model based on molten salt heat transfer fluid

NASA Astrophysics Data System (ADS)

Hakkarainen, Elina; Tähtinen, Matti

2016-05-01

Demonstrations of direct steam generation (DSG) in linear Fresnel collectors (LFC) have given promising results related to higher steam parameters compared to the current state-of-the-art parabolic trough collector (PTC) technology using oil as heat transfer fluid (HTF). However, DSG technology lacks feasible solution for long-term thermal energy storage (TES) system. This option is important for CSP technology in order to offer dispatchable power. Recently, molten salts have been proposed to be used as HTF and directly as storage medium in both line-focusing solar fields, offering storage capacity of several hours. This direct molten salt (DMS) storage concept has already gained operational experience in solar tower power plant, and it is under demonstration phase both in the case of LFC and PTC systems. Dynamic simulation programs offer a valuable effort for design and optimization of solar power plants. In this work, APROS dynamic simulation program is used to model a DMS linear Fresnel solar field with two-tank TES system, and example simulation results are presented in order to verify the functionality of the model and capability of APROS for CSP modelling and simulation.

Catalyst Bed Instability Within the USFE H2O2/JP-8 Rocket Engine

NASA Technical Reports Server (NTRS)

Johnson, Curtis W.; Anderson, William; Ross, Robert; Lyles, G. (Technical Monitor)

2000-01-01

Orbital Sciences Corporation has been awarded a contract by NASA's Marshall Space Flight Center, in cooperation with the U.S. Air Force Research Laboratory's Military Space Plane Technology Program Office, for the Upper Stage Flight Experiment (USFE) program. Orbital is designing, developing, and will flight test a new low-cost, 10,000 lbf hydrogen peroxide/ JP-8 pressure fed liquid rocket. During combustion chamber tests at NASA Stennis Space Center (SSC) of the USFE engine, the catalyst bed showed a low frequency instability occurring as the H202 flow reached about 1/3 its design rate. This paper reviews the USFE catalyst bed and combustion chamber and its operation, then discusses the dynamics of the instability. Next the paper describes the dynamic computer model used to recreate the instability. The model was correlated to the SSC test data, and used to investigate possible solutions to the problem. The combustion chamber configuration which solved the instability is shown, and the subsequent stable operation presented.

Adaptive Dynamic Programming for Discrete-Time Zero-Sum Games.

PubMed

Wei, Qinglai; Liu, Derong; Lin, Qiao; Song, Ruizhuo

2018-04-01

In this paper, a novel adaptive dynamic programming (ADP) algorithm, called "iterative zero-sum ADP algorithm," is developed to solve infinite-horizon discrete-time two-player zero-sum games of nonlinear systems. The present iterative zero-sum ADP algorithm permits arbitrary positive semidefinite functions to initialize the upper and lower iterations. A novel convergence analysis is developed to guarantee the upper and lower iterative value functions to converge to the upper and lower optimums, respectively. When the saddle-point equilibrium exists, it is emphasized that both the upper and lower iterative value functions are proved to converge to the optimal solution of the zero-sum game, where the existence criteria of the saddle-point equilibrium are not required. If the saddle-point equilibrium does not exist, the upper and lower optimal performance index functions are obtained, respectively, where the upper and lower performance index functions are proved to be not equivalent. Finally, simulation results and comparisons are shown to illustrate the performance of the present method.

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.

TAS::89 0927::TAS RECOVERY - The Lean Green Energy Controller Machine

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

Teeter, John; Wang, Gene; Moss, David

Achieving efficiency improvements and providing demand-response programs have been identified as key elements of our national energy initiative. The residential market is the largest, yet most difficult, segment to engage in efforts to meet these objectives. This project developed Energy Management System that engages the consumer and enables Smart Grid services, applications, and business processes to address this need. Our innovative solution provides smart controller providing dynamic optimization of energy consumption for the residential energy consumer. Our solution extends the technical platform to include a cloud based Internet of Things (IoT) aggregation of data sensors and actuators the go beyondmore » energy management and extend to life style services provided through compelling mobile and console based user experiences.« less

Chimera Grid Tools

NASA Technical Reports Server (NTRS)

Chan, William M.; Rogers, Stuart E.; Nash, Steven M.; Buning, Pieter G.; Meakin, Robert

2005-01-01

Chimera Grid Tools (CGT) is a software package for performing computational fluid dynamics (CFD) analysis utilizing the Chimera-overset-grid method. For modeling flows with viscosity about geometrically complex bodies in relative motion, the Chimera-overset-grid method is among the most computationally cost-effective methods for obtaining accurate aerodynamic results. CGT contains a large collection of tools for generating overset grids, preparing inputs for computer programs that solve equations of flow on the grids, and post-processing of flow-solution data. The tools in CGT include grid editing tools, surface-grid-generation tools, volume-grid-generation tools, utility scripts, configuration scripts, and tools for post-processing (including generation of animated images of flows and calculating forces and moments exerted on affected bodies). One of the tools, denoted OVERGRID, is a graphical user interface (GUI) that serves to visualize the grids and flow solutions and provides central access to many other tools. The GUI facilitates the generation of grids for a new flow-field configuration. Scripts that follow the grid generation process can then be constructed to mostly automate grid generation for similar configurations. CGT is designed for use in conjunction with a computer-aided-design program that provides the geometry description of the bodies, and a flow-solver program.

Models@Home: distributed computing in bioinformatics using a screensaver based approach.

PubMed

Krieger, Elmar; Vriend, Gert

2002-02-01

Due to the steadily growing computational demands in bioinformatics and related scientific disciplines, one is forced to make optimal use of the available resources. A straightforward solution is to build a network of idle computers and let each of them work on a small piece of a scientific challenge, as done by Seti@Home (http://setiathome.berkeley.edu), the world's largest distributed computing project. We developed a generally applicable distributed computing solution that uses a screensaver system similar to Seti@Home. The software exploits the coarse-grained nature of typical bioinformatics projects. Three major considerations for the design were: (1) often, many different programs are needed, while the time is lacking to parallelize them. Models@Home can run any program in parallel without modifications to the source code; (2) in contrast to the Seti project, bioinformatics applications are normally more sensitive to lost jobs. Models@Home therefore includes stringent control over job scheduling; (3) to allow use in heterogeneous environments, Linux and Windows based workstations can be combined with dedicated PCs to build a homogeneous cluster. We present three practical applications of Models@Home, running the modeling programs WHAT IF and YASARA on 30 PCs: force field parameterization, molecular dynamics docking, and database maintenance.

On 3D inelastic analysis methods for hot section components

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Chen, P. C.; Dame, L. T.; Holt, R. V.; Huang, H.; Hartle, M.; Gellin, S.; Allen, D. H.; Haisler, W. E.

1986-01-01

Accomplishments are described for the 2-year program, to develop advanced 3-D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades and vanes. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulations models were developed; an eight-noded mid-surface shell element, a nine-noded mid-surface shell element and a twenty-noded isoparametric solid element. A separate computer program was developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

The 3D inelastic analysis methods for hot section components

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Maffeo, R. J.; Tipton, M. T.; Weber, G.

1992-01-01

A two-year program to develop advanced 3D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades, and vanes is described. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulation models were developed: an eight-noded midsurface shell element; a nine-noded midsurface shell element; and a twenty-noded isoparametric solid element. A separate computer program has been developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

Push the flash floating gate memories toward the future low energy application

NASA Astrophysics Data System (ADS)

Della Marca, V.; Just, G.; Regnier, A.; Ogier, J.-L.; Simola, R.; Niel, S.; Postel-Pellerin, J.; Lalande, F.; Masoero, L.; Molas, G.

2013-01-01

In this paper the energy consumption of flash floating gate cell, during a channel hot electron operation, is investigated. We characterize the device using different ramp and box pulses on control gate, to find the best solution to have low energy consumption and good cell performances. We use a new dynamic method to measure the drain current absorption in order to evaluate the impact of different bias conditions, and to study the cell behavior. The programming window and the energy consumption are considered as fundamental parameters. Using this dynamic technique, three zones of work are found; it is possible to optimize the drain voltage during the programming operation to minimize the energy consumption. Moreover, the cell's performances are improved using the CHISEL effect, with a reverse body bias. After the study concerning the programming pulses adjusting, we show the results obtained by increasing the channel doping dose parameter. Considering a channel hot electron programming operation, it is important to focus our attention on the bitline leakage consumption contribution. We measured it for the unselected bitline cells, and we show the effects of the lightly doped drain implantation energy on the leakage current. In this way the impact of gate induced drain leakage in band-to-band tunneling regime decreases, improving the cell's performances in a memory array.

Brownian dynamics simulation of protein diffusion in crowded environments

NASA Astrophysics Data System (ADS)

Mereghetti, Paolo; Wade, Rebecca C.

2013-02-01

High macromolecular concentrations are a distinguishing feature of living organisms. Understanding how the high concentration of solutes affects the dynamic properties of biological macromolecules is fundamental for the comprehension of biological processes in living systems. We first describe the development of a Brownian dynamics simulation methodology to investigate the dynamic and structural properties of protein solutions using atomic-detail protein structures. We then discuss insights obtained from applying this approach to simulation of solutions of a range of types of proteins.

A QM/MM Metadynamics Study of the Direct Decarboxylation Mechanism for Orotidine-5'-monophosphate Decarboxylase using Two Different QM Regions: Acceleration too Small to Explain Rate of Enzyme Catalysis

PubMed Central

Stanton, Courtney; Kuo, I-Feng W.; Mundy, Christopher J.; Laino, Teodoro; Houk, K. N.

2011-01-01

Despite decades of study, the mechanism by which orotidine-5'-monophosphate decarboxylase (ODCase) catalyzes the decarboxylation of orotidine monophosphate remains unresolved. A computational investigation of the direct decarboxylation mechanism has been performed using mixed quantum mechanical/molecular mechanical (QM/MM) dynamics simulations. The study was performed with the program CP2K that integrates classical dynamics and ab initio dynamics based on the Born-Oppenheimer approach. Two different QM regions were explored. The free energy barriers for decarboxylation of orotidine-5'-monophosphate (OMP) in solution and in the enzyme (using the larger QM region) were determined with the metadynamics method to be 40 kcal/mol and 33 kcal/mol, respectively. The calculated change in activation free energy (ΔΔG±) on going from solution to the enzyme is therefore −7 kcal/mol, far less than the experimental change of −23 kcal/mol (for kcat/kuncat Radzicka, A.; Wolfenden, R., Science. 1995, 267, 90–92). These results do not support the direct decarboxylation mechanism that has been proposed for the enzyme. However, in the context of QM/MM calculations, it was found that the size of the QM region has a dramatic effect on the calculated reaction barrier. PMID:17927240

Aircraft noise prediction program theoretical manual: Rotorcraft System Noise Prediction System (ROTONET), part 4

NASA Technical Reports Server (NTRS)

Weir, Donald S.; Jumper, Stephen J.; Burley, Casey L.; Golub, Robert A.

1995-01-01

This document describes the theoretical methods used in the rotorcraft noise prediction system (ROTONET), which is a part of the NASA Aircraft Noise Prediction Program (ANOPP). The ANOPP code consists of an executive, database manager, and prediction modules for jet engine, propeller, and rotor noise. The ROTONET subsystem contains modules for the prediction of rotor airloads and performance with momentum theory and prescribed wake aerodynamics, rotor tone noise with compact chordwise and full-surface solutions to the Ffowcs-Williams-Hawkings equations, semiempirical airfoil broadband noise, and turbulence ingestion broadband noise. Flight dynamics, atmosphere propagation, and noise metric calculations are covered in NASA TM-83199, Parts 1, 2, and 3.

Liquid propulsion turbomachinery model testing

NASA Technical Reports Server (NTRS)

Mcdaniels, David M.; Snellgrove, Lauren M.

1992-01-01

For the past few years an extensive experimental program to understand the fluid dynamics of the Space Shuttle Main Engine hot gas manifold has been in progress. This program includes models of the Phase II and II+ manifolds for each of the air and water flow facilities, as well as two different turbine flow paths and two simulated power levels for each manifold. All models are full-scale (geometric). The water models are constructed partially of acrylic to allow flow visualization. The intent of this paper is to discuss the concept, including the test objectives, facilities, and models, and to summarize the data for an example configuration, including static pressure data, flow visualization, and the solution of a specific flow problem.

PLOT3D user's manual

NASA Technical Reports Server (NTRS)

Walatka, Pamela P.; Buning, Pieter G.; Pierce, Larry; Elson, Patricia A.

1990-01-01

PLOT3D is a computer graphics program designed to visualize the grids and solutions of computational fluid dynamics. Seventy-four functions are available. Versions are available for many systems. PLOT3D can handle multiple grids with a million or more grid points, and can produce varieties of model renderings, such as wireframe or flat shaded. Output from PLOT3D can be used in animation programs. The first part of this manual is a tutorial that takes the reader, keystroke by keystroke, through a PLOT3D session. The second part of the manual contains reference chapters, including the helpfile, data file formats, advice on changing PLOT3D, and sample command files.

Stochastic model of the NASA/MSFC ground facility for large space structures with uncertain parameters: The maximum entropy approach, part 2

NASA Technical Reports Server (NTRS)

Hsia, Wei Shen

1989-01-01

A validated technology data base is being developed in the areas of control/structures interaction, deployment dynamics, and system performance for Large Space Structures (LSS). A Ground Facility (GF), in which the dynamics and control systems being considered for LSS applications can be verified, was designed and built. One of the important aspects of the GF is to verify the analytical model for the control system design. The procedure is to describe the control system mathematically as well as possible, then to perform tests on the control system, and finally to factor those results into the mathematical model. The reduction of the order of a higher order control plant was addressed. The computer program was improved for the maximum entropy principle adopted in Hyland's MEOP method. The program was tested against the testing problem. It resulted in a very close match. Two methods of model reduction were examined: Wilson's model reduction method and Hyland's optimal projection (OP) method. Design of a computer program for Hyland's OP method was attempted. Due to the difficulty encountered at the stage where a special matrix factorization technique is needed in order to obtain the required projection matrix, the program was successful up to the finding of the Linear Quadratic Gaussian solution but not beyond. Numerical results along with computer programs which employed ORACLS are presented.

Cable Connected Spinning Spacecraft, 1. the Canonical Equations, 2. Urban Mass Transportation, 3

NASA Technical Reports Server (NTRS)

Sitchin, A.

1972-01-01

Work on the dynamics of cable-connected spinning spacecraft was completed by formulating the equations of motion by both the canonical equations and Lagrange's equations and programming them for numerical solution on a digital computer. These energy-based formulations will permit future addition of the effect of cable mass. Comparative runs indicate that the canonical formulation requires less computer time. Available literature on urban mass transportation was surveyed. Areas of the private rapid transit concept of urban transportation are also studied.

Grid resolution and solution convergence for Mars Pathfinder forebody

NASA Technical Reports Server (NTRS)

Nettelhorst, Heather L.; Mitcheltree, Robert A.

1994-01-01

As part of the Discovery Program, NASA Plans to launch a series of probes to Mars. The Mars Pathfinder project is the first of this series with a scheduled Mars arrival in July 1997. The entry vehicle will perform a direct entry into the atmosphere and deliver a lander to the surface. Predicting the entry vehicle's flight performance and designing the forebody heatshield requires knowledge of the expected aerothermodynamic environment. Much of this knowledge can be obtained through computational fluid dynamic (CFD) analysis.

Decentralized Stackelberg Strategies for Interconnected Stochastic Dynamic Systems

DTIC Science & Technology

1977-10-01

Solutions" IM, Vol.8, No.6, p.413- 430, 1971. (42) Rhodes, I.B., and Luenberger, D.G., "Differential Games with Imperfect State Information", E Trans...34, Proc. Systems E for Power, ERDA Conf. Henniker, New Hampshire, 1975. [47) Starr, A.W., and Ho, Y.C., "Nonzero-Sum Differential Games ", Jt_., [ Vol.3, p...CONTROLLING OFFICE NAME AND ADDRESS 12. REPORT DATE October, 1977 Joint Services Electronics Program ,3. NUMSEROWPAGES 97 14. MONITORiNG &GENCY NAME 1

2008 Program of Study: Perspectives and Challenges in GFD (Geophysical Fluid Dynamics)

DTIC Science & Technology

2009-03-01

half of the complex k- plane , and Φ− is similarly well defined in the lower half of 338 PSfrag replacements Im k Re k−i +i Figure 2: Branch cuts in...domains ⊕ and , which include, respectively, the upper and lower half k- planes . The full Fourier transform of φ (and of h, d, etc.) is then well defined in...contour at infinity in the lower half k- plane ; the solution will only contain waves arising from poles located in the

Computationally efficient multibody simulations

NASA Technical Reports Server (NTRS)

Ramakrishnan, Jayant; Kumar, Manoj

1994-01-01

Computationally efficient approaches to the solution of the dynamics of multibody systems are presented in this work. The computational efficiency is derived from both the algorithmic and implementational standpoint. Order(n) approaches provide a new formulation of the equations of motion eliminating the assembly and numerical inversion of a system mass matrix as required by conventional algorithms. Computational efficiency is also gained in the implementation phase by the symbolic processing and parallel implementation of these equations. Comparison of this algorithm with existing multibody simulation programs illustrates the increased computational efficiency.

Browndye: A software package for Brownian dynamics

NASA Astrophysics Data System (ADS)

Huber, Gary A.; McCammon, J. Andrew

2010-11-01

A new software package, Browndye, is presented for simulating the diffusional encounter of two large biological molecules. It can be used to estimate second-order rate constants and encounter probabilities, and to explore reaction trajectories. Browndye builds upon previous knowledge and algorithms from software packages such as UHBD, SDA, and Macrodox, while implementing algorithms that scale to larger systems. Program summaryProgram title: Browndye Catalogue identifier: AEGT_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGT_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: MIT license, included in distribution No. of lines in distributed program, including test data, etc.: 143 618 No. of bytes in distributed program, including test data, etc.: 1 067 861 Distribution format: tar.gz Programming language: C++, OCaml ( http://caml.inria.fr/) Computer: PC, Workstation, Cluster Operating system: Linux Has the code been vectorised or parallelized?: Yes. Runs on multiple processors with shared memory using pthreads RAM: Depends linearly on size of physical system Classification: 3 External routines: uses the output of APBS [1] ( http://www.poissonboltzmann.org/apbs/) as input. APBS must be obtained and installed separately. Expat 2.0.1, CLAPACK, ocaml-expat, Mersenne Twister. These are included in the Browndye distribution. Nature of problem: Exploration and determination of rate constants of bimolecular interactions involving large biological molecules. Solution method: Brownian dynamics with electrostatic, excluded volume, van der Waals, and desolvation forces. Running time: Depends linearly on size of physical system and quadratically on precision of results. The included example executes in a few minutes.

Theoretical investigation of the force and dynamically coupled torsional-axial-lateral dynamic response of eared rotors

NASA Technical Reports Server (NTRS)

David, J. W.; Mitchell, L. D.

1982-01-01

Difficulties in solution methodology to be used to deal with the potentially higher nonlinear rotor equations when dynamic coupling is included. A solution methodology is selected to solve the nonlinear differential equations. The selected method was verified to give good results even at large nonlinearity levels. The transfer matrix methodology is extended to the solution of nonlinear problems.

Linking water age and solute dynamics in streamflow at the Hubbard Brook Experimental Forest, NH, USA

Treesearch

Paolo Benettin; Scott W. Bailey; John L. Campbell; Mark B. Green; Andrea Rinaldo; Gene E. Likens; Kevin J. McGuire; Gianluca Botter

2015-01-01

We combine experimental and modeling results from a headwater catchment at the Hubbard Brook Experimental Forest (HBEF), New Hampshire, USA, to explore the link between stream solute dynamics and water age. A theoretical framework based on water age dynamics, which represents a general basis for characterizing solute transport at the catchment scale, is here applied to...

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.

High-resolution structure, interactions, and dynamics of self-assembled virus-like partilces

NASA Astrophysics Data System (ADS)

Raviv, Uri; Asor, R.; Ben-Shaul, O.; Oppenheim, A.; Schlicksup, L. C.; Seltzer, L.; Jarrold, M. F.; Zlotnick, A.

Using SAXS, in combination with Monte Carlo simulations, and our unique solution x-ray scattering data analysis program, we resolved at high spatial resolution, the manner by which wtSV40 packages its 5.2kb circular DNA about 20 histone octamers in the virus capsid (Figure 1). This structure, known as a mini-chromosome, is highly dynamic and could not be resolved by microscopy methods. Using time-resolved solution SAXS, stopped-flow, and flow-through setups the assembly process of VP1, the major caspid protein of the SV40 virus, with RNA or DNA to form virus-like particles (VLPs) was studied in msec temporal resolution. By mixing the nucleotides and the capsid protein, virus-like particles formed within 35 msec, in the case of RNA that formed T =1 particles, and within 15 seconds in the case of DNA that formed T =7 particles, similar to wt SV40. The structural changes leading to the particle formation were followed in detail. More recently, we have extended this work to study the assembly of HBV virus-like particles.

A genetic algorithm for a bi-objective mathematical model for dynamic virtual cell formation problem

NASA Astrophysics Data System (ADS)

Moradgholi, Mostafa; Paydar, Mohammad Mahdi; Mahdavi, Iraj; Jouzdani, Javid

2016-09-01

Nowadays, with the increasing pressure of the competitive business environment and demand for diverse products, manufacturers are force to seek for solutions that reduce production costs and rise product quality. Cellular manufacturing system (CMS), as a means to this end, has been a point of attraction to both researchers and practitioners. Limitations of cell formation problem (CFP), as one of important topics in CMS, have led to the introduction of virtual CMS (VCMS). This research addresses a bi-objective dynamic virtual cell formation problem (DVCFP) with the objective of finding the optimal formation of cells, considering the material handling costs, fixed machine installation costs and variable production costs of machines and workforce. Furthermore, we consider different skills on different machines in workforce assignment in a multi-period planning horizon. The bi-objective model is transformed to a single-objective fuzzy goal programming model and to show its performance; numerical examples are solved using the LINGO software. In addition, genetic algorithm (GA) is customized to tackle large-scale instances of the problems to show the performance of the solution method.

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.

NASA Space Geodesy Program: GSFC data analysis, 1992. Crustal Dynamics Project VLBI geodetic results, 1979 - 1991

NASA Technical Reports Server (NTRS)

Ryan, J. W.; Ma, C.; Caprette, D. S.

1993-01-01

The Goddard VLBI group reports the results of analyzing 1648 Mark 3 data sets acquired from fixed and mobile observing sites through the end of 1991, and available to the Crustal Dynamics Project. Two large solutions were used to obtain Earth rotation parameters, nutation offsets, radio source positions, site positions, site velocities, and baseline evolution. Site positions are tabulated on a yearly basis for 1979 to 1995, inclusive. Site velocities are presented in both geocentric Cartesian and topocentric coordinates. Baseline evolution is plotted for 200 baselines, and individual length determinations are presented for an additional 356 baselines. This report includes 155 quasar radio sources, 96 fixed stations and mobile sites, and 556 baselines.

The use of numerical programs in research and academic institutions

NASA Astrophysics Data System (ADS)

Scupi, A. A.

2016-08-01

This paper is conceived on the idea that numerical programs using computer models of physical processes can be used both for scientific research and academic teaching to study different phenomena. Computational Fluid Dynamics (CFD) is used today on a large scale in research and academic institutions. CFD development is not limited to computer simulations of fluid flow phenomena. Analytical solutions for most fluid dynamics problems are already available for ideal or simplified situations for different situations. CFD is based on the Navier- Stokes (N-S) equations characterizing the flow of a single phase of any liquid. For multiphase flows the integrated N-S equations are complemented with equations of the Volume of Fluid Model (VOF) and with energy equations. Different turbulent models were used in the paper, each one of them with practical engineering applications: the flow around aerodynamic surfaces used as unconventional propulsion system, multiphase flows in a settling chamber and pneumatic transport systems, heat transfer in a heat exchanger etc. Some of them numerical results were validated by experimental results. Numerical programs are also used in academic institutions where certain aspects of various phenomena are presented to students (Bachelor, Master and PhD) for a better understanding of the phenomenon itself.

Dynamic train-turnout interaction in an extended frequency range using a detailed model of track dynamics

NASA Astrophysics Data System (ADS)

Kassa, Elias; Nielsen, Jens C. O.

2009-03-01

A time domain solution method for general three-dimensional dynamic interaction of train and turnout (switch and crossing) that accounts for excitation in an extended frequency range (up to several hundred Hz) is proposed. Based on a finite element (FE) model of a standard turnout design, a complex-valued modal superposition of track dynamics is applied using the first 500 eigenmodes of the turnout model. The three-dimensional model includes the distribution of structural flexibility along the turnout, such as bending and torsion of rails and sleepers, and the variations in rail cross-section and sleeper length. Convergence of simulation results is studied while using an increasing number of eigenmodes. It is shown that modes with eigenfrequencies up to at least 200 Hz have a significant influence on the magnitudes of the wheel-rail contact forces. Results from using a simplified track model with a commercial computer program for low-frequency vehicle dynamics are compared with the results from using the detailed FE model in conjunction with the proposed method.

Optimizing legacy molecular dynamics software with directive-based offload

NASA Astrophysics Data System (ADS)

Michael Brown, W.; Carrillo, Jan-Michael Y.; Gavhane, Nitin; Thakkar, Foram M.; Plimpton, Steven J.

2015-10-01

Directive-based programming models are one solution for exploiting many-core coprocessors to increase simulation rates in molecular dynamics. They offer the potential to reduce code complexity with offload models that can selectively target computations to run on the CPU, the coprocessor, or both. In this paper, we describe modifications to the LAMMPS molecular dynamics code to enable concurrent calculations on a CPU and coprocessor. We demonstrate that standard molecular dynamics algorithms can run efficiently on both the CPU and an x86-based coprocessor using the same subroutines. As a consequence, we demonstrate that code optimizations for the coprocessor also result in speedups on the CPU; in extreme cases up to 4.7X. We provide results for LAMMPS benchmarks and for production molecular dynamics simulations using the Stampede hybrid supercomputer with both Intel® Xeon Phi™ coprocessors and NVIDIA GPUs. The optimizations presented have increased simulation rates by over 2X for organic molecules and over 7X for liquid crystals on Stampede. The optimizations are available as part of the "Intel package" supplied with LAMMPS.

Non-linear dynamics and alternating 'flip' solutions in ferrofluidic Taylor-Couette flow

NASA Astrophysics Data System (ADS)

Altmeyer, Sebastian

2018-04-01

This study treats with the influence of a symmetry-breaking transversal magnetic field on the nonlinear dynamics of ferrofluidic Taylor-Couette flow - flow confined between two concentric independently rotating cylinders. We detected alternating 'flip' solutions which are flow states featuring typical characteristics of slow-fast-dynamics in dynamical systems. The flip corresponds to a temporal change in the axial wavenumber and we find them to appear either as pure 2-fold axisymmetric (due to the symmetry-breaking nature of the applied transversal magnetic field) or involving non-axisymmetric, helical modes in its interim solution. The latter ones show features of typical ribbon solutions. In any case the flip solutions have a preferential first axial wavenumber which corresponds to the more stable state (slow dynamics) and second axial wavenumber, corresponding to the short appearing more unstable state (fast dynamics). However, in both cases the flip time grows exponential with increasing the magnetic field strength before the flip solutions, living on 2-tori invariant manifolds, cease to exist, with lifetime going to infinity. Further we show that ferrofluidic flow turbulence differ from the classical, ordinary (usually at high Reynolds number) turbulence. The applied magnetic field hinders the free motion of ferrofluid partials and therefore smoothen typical turbulent quantities and features so that speaking of mildly chaotic dynamics seems to be a more appropriate expression for the observed motion.

A molecular dynamics computer simulation study of room-temperature ionic liquids. II. Equilibrium and nonequilibrium solvation dynamics.

PubMed

Shim, Y; Choi, M Y; Kim, Hyung J

2005-01-22

The molecular dynamics (MD) simulation study of solvation structure and free energetics in 1-ethyl-3-methylimidazolium chloride and 1-ethyl-3-methylimidazolium hexafluorophosphate using a probe solute in the preceding article [Y. Shim, M. Y. Choi and H. J. Kim, J. Chem. Phys. 122, 044510 (2005)] is extended to investigate dynamic properties of these liquids. Solvent fluctuation dynamics near equilibrium are studied via MD and associated time-dependent friction is analyzed via the generalized Langevin equation. Nonequilibrium solvent relaxation following an instantaneous change in the solute charge distribution and accompanying solvent structure reorganization are also investigated. Both equilibrium and nonequilibrium solvation dynamics are characterized by at least two vastly different time scales--a subpicosecond inertial regime followed by a slow diffusive regime. Solvent regions contributing to the subpicosecond nonequilibrium relaxation are found to vary significantly with initial solvation configurations, especially near the solute. If the solvent density near the solute is sufficiently high at the outset of the relaxation, subpicosecond dynamics are mainly governed by the motions of a few ions close to the solute. By contrast, in the case of a low local density, solvent ions located not only close to but also relatively far from the solute participate in the subpicosecond relaxation. Despite this difference, linear response holds reasonably well in both ionic liquids. (c) 2005 American Institute of Physics.

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.

Chern-Simons Modified Gravity

NASA Astrophysics Data System (ADS)

Efstratiou, P.

2013-09-01

This presentation will be based on my, undergraduate, thesis at Aristotle University of Thessoliniki with the same subject, supervised by Professor Demetrios Papadopoulos. I will first present the general mathematical formulation of the Chern-Simons (CS) modified gravity, which is split in a dynamical and a non-dynamical context, and the different physical theories which suggest this modification. Then proceed by examing the possibility that the CS theory shares solutions with General Relativity in both contexts. In the non-dynamical context I will present a new, undocumented solution as well as all the other possible solutions found to date. I will conclude by arguing that General Relativity and CS Theory share any solutions in the dynamical context.

Combined multireference configuration interaction/ molecular dynamics approach for calculating solvatochromic shifts: application to the n(O) --> pi* electronic transition of formaldehyde.

PubMed

Xu, ZongRong; Matsika, Spiridoula

2006-11-02

A combined quantum mechanics/molecular mechanics method is described here for considering the solvatochromic shift of excited states in solution. The quantum mechanical solute is described using high level multireference configuration interaction methods (MRCI), while molecular dynamics is used for obtaining the structure of the solvent around the solute. The electrostatic effect of the solvent is included in the quantum description of the solute in an averaged way. This method is used to study solvent effects on the n(O) --> pi* electronic transition of formaldehyde in aqueous solution. The effects of solute polarization, basis sets, and dynamical correlation on the solvatochromic shift, and on dipole moments, have been investigated.

Dynamics of three-tori in a periodically forced navier-stokes flow

PubMed

Lopez; Marques

2000-07-31

Three-tori solutions of the Navier-Stokes equations and their dynamics are elucidated by use of a global Poincare map. The flow is contained in a finite annular gap between two concentric cylinders, driven by the steady rotation and axial harmonic oscillations of the inner cylinder. The three-tori solutions undergo global bifurcations, including a new gluing bifurcation, associated with homoclinic and heteroclinic connections to unstable solutions (two-tori). These unstable two-tori act as organizing centers for the three-tori dynamics. A discrete space-time symmetry influences the dynamics.

Generating Stock Trading Rules Using Genetic Network Programming with Flag Nodes and Adjustment of Importance Indexes

NASA Astrophysics Data System (ADS)

Mabu, Shingo; Chen, Yan; Hirasawa, Kotaro

Genetic Network Programming (GNP) is an evolutionary algorithm which represents its solutions using graph structures. Since GNP can create quite compact programs and has an implicit memory function, GNP works well especially in dynamic environments. In addition, a study on creating trading rules on stock markets using GNP with Importance Index (GNP-IMX) has been done. IMX is one of the criterions for decision making. However, the values of IMXs must be deteminined by our experience/knowledge. Therefore in this paper, IMXs are adjusted appropriately during the stock trading in order to predict the rise and fall of the stocks. Moreover, newly defined flag nodes are introduced to GNP, which can appropriately judge the current situation of the stock prices, and also contributes to the use of many kinds of nodes in GNP program. In the simulation, programs are evolved using the stock prices of 20 companies. Then the generalization ability is tested and compared with GNP without flag nodes, GNP without IMX adjustment and Buy&Hold.

Nodal-line dynamics via exact polynomial solutions for coherent waves traversing aberrated imaging systems.

PubMed

Paganin, David M; Beltran, Mario A; Petersen, Timothy C

2018-03-01

We obtain exact polynomial solutions for two-dimensional coherent complex scalar fields propagating through arbitrary aberrated shift-invariant linear imaging systems. These solutions are used to model nodal-line dynamics of coherent fields output by such systems.

Building a sustainable Academic Health Department: the South Carolina model.

PubMed

Smith, Lillian Upton; Waddell, Lisa; Kyle, Joseph; Hand, Gregory A

2014-01-01

Given the limited resources available to public health, it is critical that university programs complement the development needs of agencies. Unfortunately, academic and practice public health entities have long been challenged in building sustainable collaborations that support practice-based research, teaching, and service. The academic health department concept offers a promising solution. In South Carolina, the partners started their academic health department program with a small grant that expanded into a dynamic infrastructure that supports innovative professional exchange and development programs. This article provides a background and describes the key elements of the South Carolina model: joint leadership, a multicomponent memorandum of agreement, and a shared professional development mission. The combination of these elements allows the partners to leverage resources and deftly respond to challenges and opportunities, ultimately fostering the sustainability of the collaboration.

Accelerating numerical solution of stochastic differential equations with CUDA

NASA Astrophysics Data System (ADS)

Januszewski, M.; Kostur, M.

2010-01-01

Numerical integration of stochastic differential equations is commonly used in many branches of science. In this paper we present how to accelerate this kind of numerical calculations with popular NVIDIA Graphics Processing Units using the CUDA programming environment. We address general aspects of numerical programming on stream processors and illustrate them by two examples: the noisy phase dynamics in a Josephson junction and the noisy Kuramoto model. In presented cases the measured speedup can be as high as 675× compared to a typical CPU, which corresponds to several billion integration steps per second. This means that calculations which took weeks can now be completed in less than one hour. This brings stochastic simulation to a completely new level, opening for research a whole new range of problems which can now be solved interactively. Program summaryProgram title: SDE Catalogue identifier: AEFG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Gnu GPL v3 No. of lines in distributed program, including test data, etc.: 978 No. of bytes in distributed program, including test data, etc.: 5905 Distribution format: tar.gz Programming language: CUDA C Computer: any system with a CUDA-compatible GPU Operating system: Linux RAM: 64 MB of GPU memory Classification: 4.3 External routines: The program requires the NVIDIA CUDA Toolkit Version 2.0 or newer and the GNU Scientific Library v1.0 or newer. Optionally gnuplot is recommended for quick visualization of the results. Nature of problem: Direct numerical integration of stochastic differential equations is a computationally intensive problem, due to the necessity of calculating multiple independent realizations of the system. We exploit the inherent parallelism of this problem and perform the calculations on GPUs using the CUDA programming environment. The GPU's ability to execute hundreds of threads simultaneously makes it possible to speed up the computation by over two orders of magnitude, compared to a typical modern CPU. Solution method: The stochastic Runge-Kutta method of the second order is applied to integrate the equation of motion. Ensemble-averaged quantities of interest are obtained through averaging over multiple independent realizations of the system. Unusual features: The numerical solution of the stochastic differential equations in question is performed on a GPU using the CUDA environment. Running time: < 1 minute

Base Heating Sensitivity Study for a 4-Cluster Rocket Motor Configuration in Supersonic Freestream

NASA Technical Reports Server (NTRS)

Mehta, Manish; Canabal, Francisco; Tashakkor, Scott B.; Smith, Sheldon D.

2011-01-01

In support of launch vehicle base heating and pressure prediction efforts using the Loci-CHEM Navier-Stokes computational fluid dynamics solver, 35 numerical simulations of the NASA TND-1093 wind tunnel test have been modeled and analyzed. This test article is composed of four JP-4/LOX 500 lbf rocket motors exhausting into a Mach 2 - 3.5 wind tunnel at various ambient pressure conditions. These water-cooled motors are attached to a base plate of a standard missile forebody. We explore the base heating profiles for fully coupled finite-rate chemistry simulations, one-way coupled RAMP (Reacting And Multiphase Program using Method of Characteristics)-BLIMPJ (Boundary Layer Integral Matrix Program - Jet Version) derived solutions and variable and constant specific heat ratio frozen flow simulations. Variations in turbulence models, temperature boundary conditions and thermodynamic properties of the plume have been investigated at two ambient pressure conditions: 255 lb/sq ft (simulated low altitude) and 35 lb/sq ft (simulated high altitude). It is observed that the convective base heat flux and base temperature are most sensitive to the nozzle inner wall thermal boundary layer profile which is dependent on the wall temperature, boundary layer s specific energy and chemical reactions. Recovery shock dynamics and afterburning significantly influences convective base heating. Turbulence models and external nozzle wall thermal boundary layer profiles show less sensitivity to base heating characteristics. Base heating rates are validated for the highest fidelity solutions which show an agreement within +/-10% with respect to test data.

Reduction of Tunnel Dynamics at the National Transonic Facility (Invited)

NASA Technical Reports Server (NTRS)

Kilgore, W. A.; Balakrishna, S.; Butler, D. H.

2001-01-01

This paper describes the results of recent efforts to reduce the tunnel dynamics at the National Transonic Facility. The results presented describe the findings of an extensive data analysis, the proposed solutions to reduce dynamics and the results of implementing these solutions. These results show a 90% reduction in the dynamics around the model support structure and a small impact on reducing model dynamics. Also presented are several continuing efforts to further reduce dynamics.

Linear Augmentation for Stabilizing Stationary Solutions: Potential Pitfalls and Their Application

PubMed Central

Karnatak, Rajat

2015-01-01

Linear augmentation has recently been shown to be effective in targeting desired stationary solutions, suppressing bistablity, in regulating the dynamics of drive response systems and in controlling the dynamics of hidden attractors. The simplicity of the procedure is the main highlight of this scheme but questions related to its general applicability still need to be addressed. Focusing on the issue of targeting stationary solutions, this work demonstrates instances where the scheme fails to stabilize the required solutions and leads to other complicated dynamical scenarios. Examples from conservative as well as dissipative systems are presented in this regard and important applications in dissipative predator—prey systems are discussed, which include preventative measures to avoid potentially catastrophic dynamical transitions in these systems. PMID:26544879

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.

[From program to metaphor--managing the needs of children in a separation or divorce process involving their parents].

PubMed

Frey, E

2000-02-01

In German-speaking regions there are several independent intervention programs, derived from concepts originating in the USA, which are designed to assist children whose parents are separated or divorced. Two of these programs will be presented here. Consistent with the thematic implication that divorce entails trauma and stress, the childrens' need of advice and help is placed at the conceptual center of the intervention. This results in a behavioral-cognitive training program, which should enable children to overcome the stress of their situation. In contrast to these two programs, an understanding of divorce may be achieved, through phenomenological analysis, which gives due consideration to the various aspects and meanings of the divorce process. The concept of intervention derived from this approach is to assist children in further developing their own search for solutions, focused on the parents-child-relation. The primary emphasis of this approach is not the childrens' difficulty in dealing with their parents' separation and divorce, but rather their own attempt to deal with the problem, as is visible in the metaphor of their spontaneous descriptions and images of experiences and events. The central concept of the proposed course is the further development of this creative process in the form of a dynamic-communicative group happening. Furthermore it is shown how children can be assisted in a practical way, and encouraged to create their individual and personally adequate solution to the experience of divorce.

General high-order breathers and rogue waves in the (3 + 1) -dimensional KP-Boussinesq equation

NASA Astrophysics Data System (ADS)

Sun, Baonan; Wazwaz, Abdul-Majid

2018-11-01

In this work, we investigate the (3 + 1) -dimensional KP-Boussinesq equation, which can be used to describe the nonlinear dynamic behavior in scientific and engineering applications. We derive general high-order soliton solutions by using the Hirota's bilinear method combined with the perturbation expansion technique. We also obtain periodic solutions comprising of high-order breathers, periodic line waves, and mixed solutions consisting of breathers and periodic line waves upon selecting particular parameter constraints of the obtained soliton solutions. Furthermore, smooth rational solutions are generated by taking a long wave limit of the soliton solutions. These smooth rational solutions include high-order rogue waves, high-order lumps, and hybrid solutions consisting of lumps and line rogue waves. To better understand the dynamical behaviors of these solutions, we discuss some illustrative graphical analyses. It is expected that our results can enrich the dynamical behavior of the (3 + 1) -dimensional nonlinear evolution equations of other forms.

High-speed reacting flow simulation using USA-series codes

NASA Astrophysics Data System (ADS)

Chakravarthy, S. R.; Palaniswamy, S.

In this paper, the finite-rate chemistry (FRC) formulation for the USA-series of codes and three sets of validations are presented. USA-series computational fluid dynamics (CFD) codes are based on Unified Solution Algorithms including explicity and implicit formulations, factorization and relaxation approaches, time marching and space marching methodolgies, etc., in order to be able to solve a very wide class of CDF problems using a single framework. Euler or Navier-Stokes equations are solved using a finite-volume treatment with upwind Total Variation Diminishing discretization for the inviscid terms. Perfect and real gas options are available including equilibrium and nonequilibrium chemistry. This capability has been widely used to study various problems including Space Shuttle exhaust plumes, National Aerospace Plane (NASP) designs, etc. (1) Numerical solutions are presented showing the full range of possible solutions to steady detonation wave problems. (2) Comparison between the solution obtained by the USA code and Generalized Kinetics Analysis Program (GKAP) is shown for supersonic combustion in a duct. (3) Simulation of combustion in a supersonic shear layer is shown to have reasonable agreement with experimental observations.

Repeated applications of a transdermal patch: analytical solution and optimal control of the delivery rate.

PubMed

Simon, L

2007-10-01

The integral transform technique was implemented to solve a mathematical model developed for percutaneous drug absorption. The model included repeated application and removal of a patch from the skin. Fick's second law of diffusion was used to study the transport of a medicinal agent through the vehicle and subsequent penetration into the stratum corneum. Eigenmodes and eigenvalues were computed and introduced into an inversion formula to estimate the delivery rate and the amount of drug in the vehicle and the skin. A dynamic programming algorithm calculated the optimal doses necessary to achieve a desired transdermal flux. The analytical method predicted profiles that were in close agreement with published numerical solutions and provided an automated strategy to perform therapeutic drug monitoring and control.

Friendly protection of houses by affordable isolation

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

Mazzolani, Federico M.; Mandara, Alberto; Froncillo, Salvatore

2008-07-08

The paper deals with a case of seismic isolation carried out in Campania (Italy), referring to the construction of a house building. The concerned case is a three-storey reinforced concrete frame building, in which the isolation system has been applied between the basement top and the first floor deck. The paper reports the main steps of this work, starting from the design, carried out according to the latest Italian seismic code, going throughout the construction stage, up to the extensive on-site testing program performed to evaluate the dynamic response of the building. Relevant technological solutions are illustrated and discussed. Bothmore » theoretical calculation and experimental measurements demonstrate the effectiveness of the solution adopted, not only from the technical point of view, but also in an economic perspective.« less

Nonoscillatory solutions for system of neutral dynamic equations on time scales.

PubMed

Chen, Zhanhe; Sun, Taixiang; Wang, Qi; Xi, Hongjian

2014-01-01

We will discuss nonoscillatory solutions to the n-dimensional functional system of neutral type dynamic equations on time scales. We will establish some sufficient conditions for nonoscillatory solutions with the property lim(t → ∞) x(i) (t) = 0, i = 1, 2,…, n.

Kinematics and dynamics of robotic systems with multiple closed loops

NASA Astrophysics Data System (ADS)

Zhang, Chang-De

The kinematics and dynamics of robotic systems with multiple closed loops, such as Stewart platforms, walking machines, and hybrid manipulators, are studied. In the study of kinematics, focus is on the closed-form solutions of the forward position analysis of different parallel systems. A closed-form solution means that the solution is expressed as a polynomial in one variable. If the order of the polynomial is less than or equal to four, the solution has analytical closed-form. First, the conditions of obtaining analytical closed-form solutions are studied. For a Stewart platform, the condition is found to be that one rotational degree of freedom of the output link is decoupled from the other five. Based on this condition, a class of Stewart platforms which has analytical closed-form solution is formulated. Conditions of analytical closed-form solution for other parallel systems are also studied. Closed-form solutions of forward kinematics for walking machines and multi-fingered grippers are then studied. For a parallel system with three three-degree-of-freedom subchains, there are 84 possible ways to select six independent joints among nine joints. These 84 ways can be classified into three categories: Category 3:3:0, Category 3:2:1, and Category 2:2:2. It is shown that the first category has no solutions; the solutions of the second category have analytical closed-form; and the solutions of the last category are higher order polynomials. The study is then extended to a nearly general Stewart platform. The solution is a 20th order polynomial and the Stewart platform has a maximum of 40 possible configurations. Also, the study is extended to a new class of hybrid manipulators which consists of two serially connected parallel mechanisms. In the study of dynamics, a computationally efficient method for inverse dynamics of manipulators based on the virtual work principle is developed. Although this method is comparable with the recursive Newton-Euler method for serial manipulators, its advantage is more noteworthy when applied to parallel systems. An approach of inverse dynamics of a walking machine is also developed, which includes inverse dynamic modeling, foot force distribution, and joint force/torque allocation.

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

NASA Technical Reports Server (NTRS)

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

2011-01-01

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

Shear-banding and superdiffusivity in entangled polymer solutions

NASA Astrophysics Data System (ADS)

Shin, Seunghwan; Dorfman, Kevin D.; Cheng, Xiang

2017-12-01

Using high-resolution confocal rheometry, we study the shear profiles of well-entangled DNA solutions under large-amplitude oscillatory shear in a rectilinear planar shear cell. With increasing Weissenberg number (Wi), we observe successive transitions from normal Newtonian linear shear profiles to wall-slip dominant shear profiles and, finally, to shear-banding profiles at high Wi. To investigate the microscopic origin of the observed shear banding, we study the dynamics of micron-sized tracers embedded in DNA solutions. Surprisingly, tracer particles in the shear frame exhibit transient superdiffusivity and strong dynamic heterogeneity. The probability distribution functions of particle displacements follow a power-law scaling at large displacements, indicating a Lévy-walk-type motion, reminiscent of tracer dynamics in entangled wormlike micelle solutions and sheared colloidal glasses. We further characterize the length and time scales associated with the abnormal dynamics of tracer particles. We hypothesize that the unusual particle dynamics arise from localized shear-induced chain disentanglement.

QoS Differential Scheduling in Cognitive-Radio-Based Smart Grid Networks: An Adaptive Dynamic Programming Approach.

PubMed

Yu, Rong; Zhong, Weifeng; Xie, Shengli; Zhang, Yan; Zhang, Yun

2016-02-01

As the next-generation power grid, smart grid will be integrated with a variety of novel communication technologies to support the explosive data traffic and the diverse requirements of quality of service (QoS). Cognitive radio (CR), which has the favorable ability to improve the spectrum utilization, provides an efficient and reliable solution for smart grid communications networks. In this paper, we study the QoS differential scheduling problem in the CR-based smart grid communications networks. The scheduler is responsible for managing the spectrum resources and arranging the data transmissions of smart grid users (SGUs). To guarantee the differential QoS, the SGUs are assigned to have different priorities according to their roles and their current situations in the smart grid. Based on the QoS-aware priority policy, the scheduler adjusts the channels allocation to minimize the transmission delay of SGUs. The entire transmission scheduling problem is formulated as a semi-Markov decision process and solved by the methodology of adaptive dynamic programming. A heuristic dynamic programming (HDP) architecture is established for the scheduling problem. By the online network training, the HDP can learn from the activities of primary users and SGUs, and adjust the scheduling decision to achieve the purpose of transmission delay minimization. Simulation results illustrate that the proposed priority policy ensures the low transmission delay of high priority SGUs. In addition, the emergency data transmission delay is also reduced to a significantly low level, guaranteeing the differential QoS in smart grid.

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.

Extending substructure based iterative solvers to multiple load and repeated analyses

NASA Technical Reports Server (NTRS)

Farhat, Charbel

1993-01-01

Direct solvers currently dominate commercial finite element structural software, but do not scale well in the fine granularity regime targeted by emerging parallel processors. Substructure based iterative solvers--often called also domain decomposition algorithms--lend themselves better to parallel processing, but must overcome several obstacles before earning their place in general purpose structural analysis programs. One such obstacle is the solution of systems with many or repeated right hand sides. Such systems arise, for example, in multiple load static analyses and in implicit linear dynamics computations. Direct solvers are well-suited for these problems because after the system matrix has been factored, the multiple or repeated solutions can be obtained through relatively inexpensive forward and backward substitutions. On the other hand, iterative solvers in general are ill-suited for these problems because they often must restart from scratch for every different right hand side. In this paper, we present a methodology for extending the range of applications of domain decomposition methods to problems with multiple or repeated right hand sides. Basically, we formulate the overall problem as a series of minimization problems over K-orthogonal and supplementary subspaces, and tailor the preconditioned conjugate gradient algorithm to solve them efficiently. The resulting solution method is scalable, whereas direct factorization schemes and forward and backward substitution algorithms are not. We illustrate the proposed methodology with the solution of static and dynamic structural problems, and highlight its potential to outperform forward and backward substitutions on parallel computers. As an example, we show that for a linear structural dynamics problem with 11640 degrees of freedom, every time-step beyond time-step 15 is solved in a single iteration and consumes 1.0 second on a 32 processor iPSC-860 system; for the same problem and the same parallel processor, a pair of forward/backward substitutions at each step consumes 15.0 seconds.

Analytical solutions for one-, two-, and three-dimensional solute transport in ground-water systems with uniform flow

USGS Publications Warehouse

Wexler, Eliezer J.

1992-01-01

Analytical solutions to the advective-dispersive solute-transport equation are useful in predicting the fate of solutes in ground water. Analytical solutions compiled from available literature or derived by the author are presented for a variety of boundary condition types and solute-source configurations in one-, two-, and three-dimensional systems having uniform ground-water flow. A set of user-oriented computer programs was created to evaluate these solutions and to display the results in tabular and computer-graphics format. These programs incorporate many features that enhance their accuracy, ease of use, and versatility. Documentation for the programs describes their operation and required input data, and presents the results of sample problems. Derivations of selected solutions, source codes for the computer programs, and samples of program input and output also are included.

Strategic Defense Initiative Organization adaptive structures program overview

NASA Astrophysics Data System (ADS)

Obal, Michael; Sater, Janet M.

In the currently envisioned architecture none of the Strategic Defense System (SDS) elements to be deployed will receive scheduled maintenance. Assessments of performance capability due to changes caused by the uncertain effects of environments will be difficult, at best. In addition, the system will have limited ability to adjust in order to maintain its required performance levels. The Materials and Structures Office of the Strategic Defense Initiative Organization (SDIO) has begun to address solutions to these potential difficulties via an adaptive structures technology program that combines health and environment monitoring with static and dynamic structural control. Conceivable system benefits include improved target tracking and hit-to-kill performance, on-orbit system health monitoring and reporting, and threat attack warning and assessment.

User's Guide for ECAP2D: an Euler Unsteady Aerodynamic and Aeroelastic Analysis Program for Two Dimensional Oscillating Cascades, Version 1.0

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.

1995-01-01

This guide describes the input data required for using ECAP2D (Euler Cascade Aeroelastic Program-Two Dimensional). ECAP2D can be used for steady or unsteady aerodynamic and aeroelastic analysis of two dimensional cascades. Euler equations are used to obtain aerodynamic forces. The structural dynamic equations are written for a rigid typical section undergoing pitching (torsion) and plunging (bending) motion. The solution methods include harmonic oscillation method, influence coefficient method, pulse response method, and time integration method. For harmonic oscillation method, example inputs and outputs are provided for pitching motion and plunging motion. For the rest of the methods, input and output for pitching motion only are given.

Optimization of the launcher ascent trajectory leading to the global optimum without any initialization: the breakthrough of the Hamilton-Jacobi-Bellman approach

NASA Astrophysics Data System (ADS)

Bourgeois, E.; Bokanowski, O.; Zidani, H.; Désilles, A.

2018-06-01

The resolution of the launcher ascent trajectory problem by the so-called Hamilton-Jacobi-Bellman (HJB) approach, relying on the Dynamic Programming Principle, has been investigated. The method gives a global optimum and does not need any initialization procedure. Despite these advantages, this approach is seldom used because of the dicculties of computing the solution of the HJB equation for high dimension problems. The present study shows that an eccient resolution is found. An illustration of the method is proposed on a heavy class launcher, for a typical GEO (Geostationary Earth Orbit) mission. This study has been performed in the frame of the Centre National d'Etudes Spatiales (CNES) Launchers Research & Technology Program.

Direct evaluation of fault trees using object-oriented programming techniques

NASA Technical Reports Server (NTRS)

Patterson-Hine, F. A.; Koen, B. V.

1989-01-01

Object-oriented programming techniques are used in an algorithm for the direct evaluation of fault trees. The algorithm combines a simple bottom-up procedure for trees without repeated events with a top-down recursive procedure for trees with repeated events. The object-oriented approach results in a dynamic modularization of the tree at each step in the reduction process. The algorithm reduces the number of recursive calls required to solve trees with repeated events and calculates intermediate results as well as the solution of the top event. The intermediate results can be reused if part of the tree is modified. An example is presented in which the results of the algorithm implemented with conventional techniques are compared to those of the object-oriented approach.

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++.

Rotational dynamics of trehalose in aqueous solutions studied by depolarized light scattering

NASA Astrophysics Data System (ADS)

Gallina, M. E.; Comez, L.; Morresi, A.; Paolantoni, M.; Perticaroli, S.; Sassi, P.; Fioretto, D.

2010-06-01

High resolution depolarized light scattering spectra, extended from 0.5 to 2×104 GHz by the combined used of a dispersive and an interferometric setup, give evidence of separated solute and solvent dynamics in diluted trehalose aqueous solutions. The slow relaxation process, located in the gigahertz frequency region, is analyzed as a function of temperature and concentration and assigned to the rotational diffusion of the sugar molecule. The results are discussed in comparison with the data obtained on glucose solutions and they are used to clarify the molecular origin of some among the several relaxation processes reported in literature for oligosaccharides solutions. The concentration dependence of relaxation time and of shear viscosity are also discussed, suggesting that the main effect of carbohydrate molecules on the structural relaxation of diluted aqueous solutions is the perturbation induced on the dynamics of the first hydration shell of each solute molecule.

Nonoscillatory Solutions for System of Neutral Dynamic Equations on Time Scales

PubMed Central

Chen, Zhanhe; Wang, Qi; Xi, Hongjian

2014-01-01

We will discuss nonoscillatory solutions to the n-dimensional functional system of neutral type dynamic equations on time scales. We will establish some sufficient conditions for nonoscillatory solutions with the property limt→∞ ⁡x i(t) = 0, i = 1, 2,…, n. PMID:24757436

Analysis of Plume Impingement Effects from Orion Crew Service Module Dual Reaction Control System Engine Firings

NASA Technical Reports Server (NTRS)

Prisbell, Andrew; Marichalar, J.; Lumpkin, F.; LeBeau, G.

2010-01-01

Plume impingement effects on the Orion Crew Service Module (CSM) were analyzed for various dual Reaction Control System (RCS) engine firings and various configurations of the solar arrays. The study was performed using a decoupled computational fluid dynamics (CFD) and Direct Simulation Monte Carlo (DSMC) approach. This approach included a single jet plume solution for the R1E RCS engine computed with the General Aerodynamic Simulation Program (GASP) CFD code. The CFD solution was used to create an inflow surface for the DSMC solution based on the Bird continuum breakdown parameter. The DSMC solution was then used to model the dual RCS plume impingement effects on the entire CSM geometry with deployed solar arrays. However, because the continuum breakdown parameter of 0.5 could not be achieved due to geometrical constraints and because high resolution in the plume shock interaction region is desired, a focused DSMC simulation modeling only the plumes and the shock interaction region was performed. This high resolution intermediate solution was then used as the inflow to the larger DSMC solution to obtain plume impingement heating, forces, and moments on the CSM and the solar arrays for a total of 21 cases that were analyzed. The results of these simulations were used to populate the Orion CSM Aerothermal Database.

Exact and Approximate Solutions for Transient Squeezing Flow

NASA Astrophysics Data System (ADS)

Lang, Ji; Santhanam, Sridhar; Wu, Qianhong

2017-11-01

In this paper, we report two novel theoretical approaches to examine a fast-developing flow in a thin fluid gap, which is widely observed in industrial applications and biological systems. The problem is featured by a very small Reynolds number and Strouhal number, making the fluid convective acceleration is negligible, while its local acceleration is not. We have developed an exact solution for this problem which shows that the flow starts with an inviscid limit when the viscous effect has no time to appear, and is followed by a subsequent developing flow, in which the viscous effect continues to penetrate into the entire fluid gap. An approximate solution is also developed using a boundary layer integral method. This solution precisely captures the general behavior of the transient fluid flow process, and agrees very well with the exact solution. We also performed numerical simulation using Ansys-CFX. Excellent agreement between the analytical and the numerical solutions is obtained, indicating the validity of the analytical approaches. The study presented herein fills the gap in the literature, and will have a broad impact in industrial and biomedical applications. This work is supported by National Science Foundation CBET Fluid Dynamics Program under Award #1511096, and supported by the Seed Grant from The Villanova Center for the Advancement of Sustainability in Engineering (VCASE).

Designing an optimal software intensive system acquisition: A game theoretic approach

NASA Astrophysics Data System (ADS)

Buettner, Douglas John

The development of schedule-constrained software-intensive space systems is challenging. Case study data from national security space programs developed at the U.S. Air Force Space and Missile Systems Center (USAF SMC) provide evidence of the strong desire by contractors to skip or severely reduce software development design and early defect detection methods in these schedule-constrained environments. The research findings suggest recommendations to fully address these issues at numerous levels. However, the observations lead us to investigate modeling and theoretical methods to fundamentally understand what motivated this behavior in the first place. As a result, Madachy's inspection-based system dynamics model is modified to include unit testing and an integration test feedback loop. This Modified Madachy Model (MMM) is used as a tool to investigate the consequences of this behavior on the observed defect dynamics for two remarkably different case study software projects. Latin Hypercube sampling of the MMM with sample distributions for quality, schedule and cost-driven strategies demonstrate that the higher cost and effort quality-driven strategies provide consistently better schedule performance than the schedule-driven up-front effort-reduction strategies. Game theory reasoning for schedule-driven engineers cutting corners on inspections and unit testing is based on the case study evidence and Austin's agency model to describe the observed phenomena. Game theory concepts are then used to argue that the source of the problem and hence the solution to developers cutting corners on quality for schedule-driven system acquisitions ultimately lies with the government. The game theory arguments also lead to the suggestion that the use of a multi-player dynamic Nash bargaining game provides a solution for our observed lack of quality game between the government (the acquirer) and "large-corporation" software developers. A note is provided that argues this multi-player dynamic Nash bargaining game also provides the solution to Freeman Dyson's problem, for a way to place a label of good or bad on systems.

CBS Genome Atlas Database: a dynamic storage for bioinformatic results and sequence data.

PubMed

Hallin, Peter F; Ussery, David W

2004-12-12

Currently, new bacterial genomes are being published on a monthly basis. With the growing amount of genome sequence data, there is a demand for a flexible and easy-to-maintain structure for storing sequence data and results from bioinformatic analysis. More than 150 sequenced bacterial genomes are now available, and comparisons of properties for taxonomically similar organisms are not readily available to many biologists. In addition to the most basic information, such as AT content, chromosome length, tRNA count and rRNA count, a large number of more complex calculations are needed to perform detailed comparative genomics. DNA structural calculations like curvature and stacking energy, DNA compositions like base skews, oligo skews and repeats at the local and global level are just a few of the analysis that are presented on the CBS Genome Atlas Web page. Complex analysis, changing methods and frequent addition of new models are factors that require a dynamic database layout. Using basic tools like the GNU Make system, csh, Perl and MySQL, we have created a flexible database environment for storing and maintaining such results for a collection of complete microbial genomes. Currently, these results counts to more than 220 pieces of information. The backbone of this solution consists of a program package written in Perl, which enables administrators to synchronize and update the database content. The MySQL database has been connected to the CBS web-server via PHP4, to present a dynamic web content for users outside the center. This solution is tightly fitted to existing server infrastructure and the solutions proposed here can perhaps serve as a template for other research groups to solve database issues. A web based user interface which is dynamically linked to the Genome Atlas Database can be accessed via www.cbs.dtu.dk/services/GenomeAtlas/. This paper has a supplemental information page which links to the examples presented: www.cbs.dtu.dk/services/GenomeAtlas/suppl/bioinfdatabase.

Dynamical equivalence, the origin of the Galactic field stellar and binary population, and the initial radius-mass relation of embedded clusters

NASA Astrophysics Data System (ADS)

Belloni, Diogo; Kroupa, Pavel; Rocha-Pinto, Helio J.; Giersz, Mirek

2018-03-01

In order to allow a better understanding of the origin of Galactic field populations, dynamical equivalence of stellar-dynamical systems has been postulated by Kroupa and Belloni et al. to allow mapping of solutions of the initial conditions of embedded clusters such that they yield, after a period of dynamical processing, the Galactic field population. Dynamically equivalent systems are defined to initially and finally have the same distribution functions of periods, mass ratios and eccentricities of binary stars. Here, we search for dynamically equivalent clusters using the MOCCA code. The simulations confirm that dynamically equivalent solutions indeed exist. The result is that the solution space is next to identical to the radius-mass relation of Marks & Kroupa, ( r_h/pc )= 0.1^{+0.07}_{-0.04} ( M_ecl/M_{⊙} )^{0.13± 0.04}. This relation is in good agreement with the oIMF. This is achieved by applying a similar procedurebserved density of molecular cloud clumps. According to the solutions, the time-scale to reach dynamical equivalence is about 0.5 Myr which is, interestingly, consistent with the lifetime of ultra-compact H II regions and the time-scale needed for gas expulsion to be active in observed very young clusters as based on their dynamical modelling.

Dynamic Loading of Immature Epiphyseal Cartilage Pumps Nutrients out of Vascular Canals

PubMed Central

Albro, Michael B.; Banerjee, Rajan E.; Li, Roland; Oungoulian, Sevan R.; Chen, Bo; del Palomar, Amaya P.; Hung, Clark T.; Ateshian, Gerard A.

2011-01-01

The potential influence of mechanical loading on transvascular transport in vascularized soft tissues has not been explored extensively. This experimental investigation introduced and explored the hypothesis that dynamic mechanical loading can pump solutes out of blood vessels and into the surrounding tissue, leading to faster uptake and higher solute concentrations than could otherwise be achieved under unloaded conditions. Immature epiphyseal cartilage was used as a model tissue system, with fluorescein (332 Da), dextran (3, 10 and 70 kDa) and transferrin (80 kDa) as model solutes. Cartilage disks were either dynamically loaded (±10% compression over a 10% static offset strain, at 0.2 Hz) or maintained unloaded in solution for up to 20 hours. Results demonstrated statistically significant solute uptake in dynamically loaded (DL) explants relative to passive diffusion (PD) controls for all solutes except unbound fluorescein, as evidenced by the DL:PD concentration ratios after 20 hours (1.0 ± 0.2, 2.4 ± 1.1, 6.1 ± 3.3, 9.0 ± 4.0, and 5.5±1.6 for fluorescein, 3, 10, and 70 kDa dextran, and transferrin). Significant uptake enhancements were also observed within the first 30 seconds of loading. Termination of dynamic loading produced dissipation of enhanced solute uptake back to PD control values. Confocal images confirmed that solute uptake occurred from cartilage canals into their surrounding extracellular matrix. The incidence of this loading-induced transvascular solute pumping mechanism may significantly alter our understanding of the interaction of mechanical loading and tissue metabolism. PMID:21481875

Interactive Web-based tutorials for teaching digital electronics

NASA Astrophysics Data System (ADS)

Bailey, Donald G.

2000-10-01

With a wide range of student abilities in a class, it is difficult to effectively teach and stimulate all students. A series of web based tutorials was designed to help weaker students and stretch the stronger students. The tutorials consist of a series of HTML web pages with embedded Java applets. This combination is particularly powerful for providing interactive demonstrations because any textual content may be easily provided within the web page. The applet is able to be a compete working program that dynamically illustrates the concept, or provides a working environment for the student to experiment and work through their solution. The applet is dynamic, and responds to the student through both mouse clicks and keyboard entry. These allow the student to adjust parameters, make selections, and affect the way the program is run or information is displayed. Such interaction allows each applet to provide a mini demonstration or experiment to help the student understand a particular concept or technique. The approach taken is illustrated with a tutorial that dynamically shows the relationships between a truth table, Karnaugh amp, logic circuit and Boolean algebra representations of a logic function, and dramatically illustrates the effect of minimization on the resultant circuit. Use of the tutorial has resulted in significant benefits, particularly with weaker students.

Applying graph partitioning methods in measurement-based dynamic load balancing

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

Bhatele, Abhinav; Fourestier, Sebastien; Menon, Harshitha

Load imbalance leads to an increasing waste of resources as an application is scaled to more and more processors. Achieving the best parallel efficiency for a program requires optimal load balancing which is a NP-hard problem. However, finding near-optimal solutions to this problem for complex computational science and engineering applications is becoming increasingly important. Charm++, a migratable objects based programming model, provides a measurement-based dynamic load balancing framework. This framework instruments and then migrates over-decomposed objects to balance computational load and communication at runtime. This paper explores the use of graph partitioning algorithms, traditionally used for partitioning physical domains/meshes, formore » measurement-based dynamic load balancing of parallel applications. In particular, we present repartitioning methods developed in a graph partitioning toolbox called SCOTCH that consider the previous mapping to minimize migration costs. We also discuss a new imbalance reduction algorithm for graphs with irregular load distributions. We compare several load balancing algorithms using microbenchmarks on Intrepid and Ranger and evaluate the effect of communication, number of cores and number of objects on the benefit achieved from load balancing. New algorithms developed in SCOTCH lead to better performance compared to the METIS partitioners for several cases, both in terms of the application execution time and fewer number of objects migrated.« less

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.

CHARMM: The Biomolecular Simulation Program

PubMed Central

Brooks, B.R.; Brooks, C.L.; MacKerell, A.D.; Nilsson, L.; Petrella, R.J.; Roux, B.; Won, Y.; Archontis, G.; Bartels, C.; Boresch, S.; Caflisch, A.; Caves, L.; Cui, Q.; Dinner, A.R.; Feig, M.; Fischer, S.; Gao, J.; Hodoscek, M.; Im, W.; Kuczera, K.; Lazaridis, T.; Ma, J.; Ovchinnikov, V.; Paci, E.; Pastor, R.W.; Post, C.B.; Pu, J.Z.; Schaefer, M.; Tidor, B.; Venable, R. M.; Woodcock, H. L.; Wu, X.; Yang, W.; York, D.M.; Karplus, M.

2009-01-01

CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, including proteins, peptides, lipids, nucleic acids, carbohydrates and small molecule ligands, as they occur in solution, crystals, and membrane environments. For the study of such systems, the program provides a large suite of computational tools that include numerous conformational and path sampling methods, free energy estimators, molecular minimization, dynamics, and analysis techniques, and model-building capabilities. In addition, the CHARMM program is applicable to problems involving a much broader class of many-particle systems. Calculations with CHARMM can be performed using a number of different energy functions and models, from mixed quantum mechanical-molecular mechanical force fields, to all-atom classical potential energy functions with explicit solvent and various boundary conditions, to implicit solvent and membrane models. The program has been ported to numerous platforms in both serial and parallel architectures. This paper provides an overview of the program as it exists today with an emphasis on developments since the publication of the original CHARMM paper in 1983. PMID:19444816

Dynamic Discharge Arc Driver. [computerized simulation

NASA Technical Reports Server (NTRS)

Dannenberg, R. E.; Slapnicar, P. I.

1975-01-01

A computer program using nonlinear RLC circuit analysis was developed to accurately model the electrical discharge performance of the Ames 1-MJ energy storage and arc-driver system. Solutions of circuit parameters are compared with experimental circuit data and related to shock speed measurements. Computer analysis led to the concept of a Dynamic Discharge Arc Driver (DDAD) capable of increasing the range of operation of shock-driven facilities. Utilization of mass addition of the driver gas offers a unique means of improving driver performance. Mass addition acts to increase the arc resistance, which results in better electrical circuit damping with more efficient Joule heating, producing stronger shock waves. Preliminary tests resulted in an increase in shock Mach number from 34 to 39 in air at an initial pressure of 2.5 torr.

[METABOLIC PREVENTION OF FAT EMBOLISM.

PubMed

Yakovlev, A Yu; Pevnev, A A; Nikol'skiy, V O; Galanina, T A; Prokin, E G; Kalachev, S A; Ryabikov, D V

2016-07-01

to study the effect of solution with methionine "Remaxol" on metabolic disorders andfat embolism developing in severe combined trauma. 544 patient with severe skeletal trauma were undergone to a prospective study of dynamics of fat embolism syndrome development depending on the inclusion in the program of infusion therapy drug "Remaxol". The dynamics of lactate, glucose, free fatty acids, globularia and the incidence offat embolism syndrome were analyzed. Corrective action drug with methionine "Remaxol" on hyperglycemia, hyperlactatemia, hyperlipemia and de- crease circulation offat globules, which is reflected in the decrease in the frequency of development offat embolism syndrome was identified. One of the proposed mechanisms reduce the risk offat embolism development is assumed restoration of endogenous carnitine synthesis with methionine and transport offree fatty acids in the cell and their subsequent inclusion in metabolic processes.

Further investigations of the aeroelastic behavior of the AFW wind-tunnel model using transonic small disturbance theory

NASA Technical Reports Server (NTRS)

Silva, Walter A.; Bennett, Robert M.

1992-01-01

The Computational Aeroelasticity Program-Transonic Small Disturbance (CAP-TSD) code, developed at LaRC, is applied to the active flexible wing wind-tunnel model for prediction of transonic aeroelastic behavior. A semi-span computational model is used for evaluation of symmetric motions, and a full-span model is used for evaluation of antisymmetric motions, and a full-span model is used for evaluation of antisymmetric motions. Static aeroelastic solutions using CAP-TSD are computed. Dynamic deformations are presented as flutter boundaries in terms of Mach number and dynamic pressure. Flutter boundaries that take into account modal refinements, vorticity and entropy corrections, antisymmetric motion, and sensitivity to the modeling of the wing tip ballast stores are also presented with experimental flutter results.

A Two-Timescale Discretization Scheme for Collocation

NASA Technical Reports Server (NTRS)

Desai, Prasun; Conway, Bruce A.

2004-01-01

The development of a two-timescale discretization scheme for collocation is presented. This scheme allows a larger discretization to be utilized for smoothly varying state variables and a second finer discretization to be utilized for state variables having higher frequency dynamics. As such. the discretization scheme can be tailored to the dynamics of the particular state variables. In so doing. the size of the overall Nonlinear Programming (NLP) problem can be reduced significantly. Two two-timescale discretization architecture schemes are described. Comparison of results between the two-timescale method and conventional collocation show very good agreement. Differences of less than 0.5 percent are observed. Consequently. a significant reduction (by two-thirds) in the number of NLP parameters and iterations required for convergence can be achieved without sacrificing solution accuracy.

Analytical solution and numerical study on water hammer in a pipeline closed with an elastically attached valve

NASA Astrophysics Data System (ADS)

Henclik, Sławomir

2018-03-01

The influence of dynamic fluid-structure interaction (FSI) onto the course of water hammer (WH) can be significant in non-rigid pipeline systems. The essence of this effect is the dynamic transfer of liquid energy to the pipeline structure and back, which is important for elastic structures and can be negligible for rigid ones. In the paper a special model of such behavior is analyzed. A straight pipeline with a steady flow, fixed to the floor with several rigid supports is assumed. The transient is generated by a quickly closed valve installed at the end of the pipeline. FSI effects are assumed to be present mainly at the valve which is fixed with a spring dash-pot attachment. Analysis of WH runs, especially transient pressure changes, for various stiffness and damping parameters of the spring dash-pot valve attachment is presented in the paper. The solutions are found analytically and numerically. Numerical results have been computed with the use of an own computer program developed on the basis of the four equation model of WH-FSI and the specific boundary conditions formulated at the valve. Analytical solutions have been found with the separation of variables method for slightly simplified assumptions. Damping at the dash-pot is taken into account within the numerical study. The influence of valve attachment parameters onto the WH courses was discovered and it was found the transient amplitudes can be reduced. Such a system, elastically attached shut-off valve in a pipeline or other, equivalent design can be a real solution applicable in practice.

The dynamic simulation model of soybean in Central Java to support food self sufficiency: A supply chain perspective

NASA Astrophysics Data System (ADS)

Oktyajati, Nancy; Hisjam, Muh.; Sutopo, Wahyudi

2018-02-01

Consider food become one of the basic human needs in order to survive so food sufficiency become very important. Food sufficiency of soybean commodity in Central Java still depends on imported soybean. Insufficiency of soybean because of there is much gap between local soybean productions and its demand. In the year 2016 the shortage of supply soybean commodity as much 68.79%. Soybean is an important and strategic commodity after rice and corn. The increasing consumption of soybean is related to increasing population, increasing incomes, changing of healthy life style. The aims of this study are to determine the soybean dynamic model based on supply chain perspective, define the proper price of local soybean to trigger increasing of local production, and to define the alternative solution to support food self sufficiency. This study will capture the real condition into dynamics model, then simulate a series of scenario into a computer program to obtain the best results. This study will be conducted the following first scenario with government intervention policy and second without government intervention policy. The best solution of the alternative can be used as government consideration for governmental policy. The results of the propose scenarios showed that self sufficiency on soybean can be achieved after the next 20 years by increasing planting area 4% and land productivity 1% per year.

Analytical solutions for one-, two-, and three-dimensional solute transport in ground-water systems with uniform flow

USGS Publications Warehouse

Wexler, Eliezer J.

1989-01-01

Analytical solutions to the advective-dispersive solute-transport equation are useful in predicting the fate of solutes in ground water. Analytical solutions compiled from available literature or derived by the author are presented in this report for a variety of boundary condition types and solute-source configurations in one-, two-, and three-dimensional systems with uniform ground-water flow. A set of user-oriented computer programs was created to evaluate these solutions and to display the results in tabular and computer-graphics format. These programs incorporate many features that enhance their accuracy, ease of use, and versatility. Documentation for the programs describes their operation and required input data, and presents the results of sample problems. Derivations of select solutions, source codes for the computer programs, and samples of program input and output also are included.

Dynamic characteristics of a variable-mass flexible missile

NASA Technical Reports Server (NTRS)

Meirovitch, L.; Bankovskis, J.

1970-01-01

The general motion of a variable mass flexible missile with internal flow and aerodynamic forces is considered. The resulting formulation comprises six ordinary differential equations for rigid body motion and three partial differential equations for elastic motion. The simultaneous differential equations are nonlinear and possess time-dependent coefficients. The differential equations are solved by a semi-analytical method leading to a set of purely ordinary differential equations which are then solved numerically. A computer program was developed for the numerical solution and results are presented for a given set of initial conditions.

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.

Dancing to a Different Tune: Adaptive Evolution Fine-Tunes Protein Dynamics

DTIC Science & Technology

2015-09-01

homotropic regulator of E. coli PK1. The kcat of the PEP titrations are similar both with (266 ± 3 s-1) and without (243 ± 4 s-1) FBP in solution...affinity; 3 ) P70Q, P70T and A301S (five populations), which have similar PEP affinity to the wild-type, but now have PEP cooperativity in the presence...PROGRAM ELEMENT NUMBER 5b. GRANT NUMBER 5a. CONTRACT NUMBER Form Approved OMB NO. 0704-0188 3 . DATES COVERED (From - To) - UU UU UU UU 19-12-2015

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.

Solution NMR views of dynamical ordering of biomacromolecules.

PubMed

Ikeya, Teppei; Ban, David; Lee, Donghan; Ito, Yutaka; Kato, Koichi; Griesinger, Christian

2018-02-01

To understand the mechanisms related to the 'dynamical ordering' of macromolecules and biological systems, it is crucial to monitor, in detail, molecular interactions and their dynamics across multiple timescales. Solution nuclear magnetic resonance (NMR) spectroscopy is an ideal tool that can investigate biophysical events at the atomic level, in near-physiological buffer solutions, or even inside cells. In the past several decades, progress in solution NMR has significantly contributed to the elucidation of three-dimensional structures, the understanding of conformational motions, and the underlying thermodynamic and kinetic properties of biomacromolecules. This review discusses recent methodological development of NMR, their applications and some of the remaining challenges. Although a major drawback of NMR is its difficulty in studying the dynamical ordering of larger biomolecular systems, current technologies have achieved considerable success in the structural analysis of substantially large proteins and biomolecular complexes over 1MDa and have characterised a wide range of timescales across which biomolecular motion exists. While NMR is well suited to obtain local structure information in detail, it contributes valuable and unique information within hybrid approaches that combine complementary methodologies, including solution scattering and microscopic techniques. For living systems, the dynamic assembly and disassembly of macromolecular complexes is of utmost importance for cellular homeostasis and, if dysregulated, implied in human disease. It is thus instructive for the advancement of the study of the dynamical ordering to discuss the potential possibilities of solution NMR spectroscopy and its applications. This article is part of a Special Issue entitled "Biophysical Exploration of Dynamical Ordering of Biomolecular Systems" edited by Dr. Koichi Kato. Copyright © 2017 Elsevier B.V. All rights reserved.

Dynamics of water in LiCl and CaCl 2 aqueous solutions confined in silica matrices: A backscattering neutron spectroscopy study

NASA Astrophysics Data System (ADS)

Mamontov, E.; Cole, D. R.; Dai, S.; Pawel, M. D.; Liang, C. D.; Jenkins, T.; Gasparovic, G.; Kintzel, E.

2008-09-01

Backscattering neutron spectroscopy was used to probe the dynamics of water molecules in LiCl and CaCl 2 aqueous solutions confined in 2.7, 1.9, and 1.4 nm diameter pores of various silica matrices. The pore size of 2.7 nm was found to be sufficiently large for the confined liquids to exhibit characteristic traits of bulk behavior, such as a freezing-melting transition and a phase separation. On the other hand, none of the fluids in the 1.4 nm pores exhibited a clear freezing-melting transition; instead, their dynamics at low temperatures gradually became too slow for the nanosecond resolution of the experiment. The greatest suppression of water mobility was observed in the CaCl 2 solutions, which suggests that cation charge and perhaps the cation hydration environment have a profound influence on the dynamics of the water molecules. Quasielastic neutron scattering measurements of pure H 2O and 1 m LiCl-H 2O solution confined in 1.9 nm pores revealed a dynamic transition in both liquids at practically the same temperature of 225-226 K, even though the dynamics of the solution at room temperature appeared to slow down by more than an order of magnitude compared to the pure water. The observation of the dynamic transition in the solution suggests that this transition may be a universal feature of water governed by processes acting on the local scale, such as a change in the hydrogen bonding.

A Java-based enterprise system architecture for implementing a continuously supported and entirely Web-based exercise solution.

PubMed

Wang, Zhihui; Kiryu, Tohru

2006-04-01

Since machine-based exercise still uses local facilities, it is affected by time and place. We designed a web-based system architecture based on the Java 2 Enterprise Edition that can accomplish continuously supported machine-based exercise. In this system, exercise programs and machines are loosely coupled and dynamically integrated on the site of exercise via the Internet. We then extended the conventional health promotion model, which contains three types of players (users, exercise trainers, and manufacturers), by adding a new player: exercise program creators. Moreover, we developed a self-describing strategy to accommodate a variety of exercise programs and provide ease of use to users on the web. We illustrate our novel design with examples taken from our feasibility study on a web-based cycle ergometer exercise system. A biosignal-based workload control approach was introduced to ensure that users performed appropriate exercise alone.

Length scale dependence of the dynamic properties of hyaluronic acid solutions in the presence of salt.

PubMed

Horkay, Ferenc; Falus, Peter; Hecht, Anne-Marie; Geissler, Erik

2010-12-02

In solutions of the charged semirigid biopolymer hyaluronic acid in salt-free conditions, the diffusion coefficient D(NSE) measured at high transfer momentum q by neutron spin echo is more than an order of magnitude smaller than that determined by dynamic light scattering, D(DLS). This behavior contrasts with neutral polymer solutions. With increasing salt content, D(DLS) approaches D(NSE), which is independent of ionic strength. Contrary to theoretical expectation, the ion-polymer coupling, which dominates the low q dynamics of polyelectrolyte solutions, already breaks down at distance scales greater than the Debye-Hückel length.

NMR studies of water dynamics during sol-to-gel transition of poly (N-isopropylacrylamide) in concentrated aqueous solution

USDA-ARS?s Scientific Manuscript database

The thermo-sensitive polymer, poly(N-isopropylacrylamide) (PNIPAM) undergoes a coil-to-globule transition in an aqueous solution as the temperature is raised through the lower critical solution temperature. Thus far, little is known about the dynamical states of the water molecules that contribute ...

IN² Program Validates Data Center Cooling Solution | News | NREL

Science.gov Websites

IN2 Program Validates Data Center Cooling Solution February 21, 2018 IN2 Program Validates Data Center Cooling Solution NREL researchers and LiquidCool Solutions representatives stand along-side centers on average consuming an estimated 70 billion kWh per year, a disruptive energy-saving solution is

Rheological Behavior of Xanthan Gum Solution Related to Shear Thinning Fluid Delivery for Subsurface Remediation

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

Zhong, Lirong; Oostrom, Martinus; Truex, Michael J.

Xanthan gum, a biopolymer, forms shear thinning fluids which can be used as delivery media to improve the distribution of remedial amendments injected into heterogeneous subsurface environments. The rheological behavior of the shear thinning solution needs to be known to develop an appropriate design for field injection. In this study, the rheological properties of xanthan gum solutions were obtained under various chemical and environmental conditions relevant to delivery of remedial amendments to groundwater. Higher xanthan concentration raised the absolute solution viscosity and increased the degree of shear thinning. Addition of remedial amendments (e.g., phosphate, sodium lactate, ethyl lactate) caused themore » dynamic viscosity of xanthan gum to decrease, but the solutions maintained shear-thinning properties. Use of simple salt (e.g. Na+, Ca2+) to increase the solution ionic strength also decreased the dynamic viscosity of xanthan and the degree of shear thinning, although the effect is a function of xanthan gum concentration and diminished as the xanthan gum concentration was increased. At high xanthan concentration, addition of salt to the solution increased dynamic viscosity. In the absence of sediments, xanthan gum solutions maintain their viscosity properties for months. However, xanthan gum solutions were shown to lose dynamic viscosity over a period of days to weeks when contacted with saturated site sediment. Loss of viscosity is attributed to physical and biodegradation processes.« less

On an aggregation in birth-and-death stochastic dynamics

NASA Astrophysics Data System (ADS)

Finkelshtein, Dmitri; Kondratiev, Yuri; Kutoviy, Oleksandr; Zhizhina, Elena

2014-06-01

We consider birth-and-death stochastic dynamics of particle systems with attractive interaction. The heuristic generator of the dynamics has a constant birth rate and density-dependent decreasing death rate. The corresponding statistical dynamics is constructed. Using the Vlasov-type scaling we derive the limiting mesoscopic evolution and prove that this evolution propagates chaos. We study a nonlinear non-local kinetic equation for the first correlation function (density of population). The existence of uniformly bounded solutions as well as solutions growing inside of a bounded domain and expanding in the space are shown. These solutions describe two regimes in the mesoscopic system: regulation and aggregation.

Ab initio molecular dynamics simulation of aqueous solution of nitric oxide in different formal oxidation states

NASA Astrophysics Data System (ADS)

Venâncio, Mateus F.; Rocha, Willian R.

2015-10-01

Ab initio molecular dynamics simulations were used to investigate the early chemical events involved in the dynamics of nitric oxide (NOrad), nitrosonium cation (NO+) and nitroxide anion (NO-) in aqueous solution. The NO+ ion is very reactive in aqueous solution having a lifetime of ∼4 × 10-13 s, which is shorter than the value of 3 × 10-10 s predicted experimentally. The NO+ reacts generating the nitrous acid as an intermediate and the NO2- ion as the final product. The dynamics of NOrad revealed the reversibly formation of a transient anion radical species HONOrad -.

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

NASA Astrophysics Data System (ADS)

Martinek, Tomas; Duboué-Dijon, Elise; Timr, Štěpán; Mason, Philip E.; Baxová, Katarina; Fischer, Henry E.; Schmidt, Burkhard; Pluhařová, Eva; Jungwirth, Pavel

2018-06-01

We present a combination of force field and ab initio molecular dynamics simulations together with neutron scattering experiments with isotopic substitution that aim at characterizing ion hydration and pairing in aqueous calcium chloride and formate/acetate solutions. Benchmarking against neutron scattering data on concentrated solutions together with ion pairing free energy profiles from ab initio molecular dynamics allows us to develop an accurate calcium force field which accounts in a mean-field way for electronic polarization effects via charge rescaling. This refined calcium parameterization is directly usable for standard molecular dynamics simulations of processes involving this key biological signaling ion.

Nonlinear system guidance in the presence of transmission zero dynamics

NASA Technical Reports Server (NTRS)

Meyer, G.; Hunt, L. R.; Su, R.

1995-01-01

An iterative procedure is proposed for computing the commanded state trajectories and controls that guide a possibly multiaxis, time-varying, nonlinear system with transmission zero dynamics through a given arbitrary sequence of control points. The procedure is initialized by the system inverse with the transmission zero effects nulled out. Then the 'steady state' solution of the perturbation model with the transmission zero dynamics intact is computed and used to correct the initial zero-free solution. Both time domain and frequency domain methods are presented for computing the steady state solutions of the possibly nonminimum phase transmission zero dynamics. The procedure is illustrated by means of linear and nonlinear examples.

Dynamic modeling and optimization for space logistics using time-expanded networks

NASA Astrophysics Data System (ADS)

Ho, Koki; de Weck, Olivier L.; Hoffman, Jeffrey A.; Shishko, Robert

2014-12-01

This research develops a dynamic logistics network formulation for lifecycle optimization of mission sequences as a system-level integrated method to find an optimal combination of technologies to be used at each stage of the campaign. This formulation can find the optimal transportation architecture considering its technology trades over time. The proposed methodologies are inspired by the ground logistics analysis techniques based on linear programming network optimization. Particularly, the time-expanded network and its extension are developed for dynamic space logistics network optimization trading the quality of the solution with the computational load. In this paper, the methodologies are applied to a human Mars exploration architecture design problem. The results reveal multiple dynamic system-level trades over time and give recommendation of the optimal strategy for the human Mars exploration architecture. The considered trades include those between In-Situ Resource Utilization (ISRU) and propulsion technologies as well as the orbit and depot location selections over time. This research serves as a precursor for eventual permanent settlement and colonization of other planets by humans and us becoming a multi-planet species.

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.

Applications of Dynamic Deployment of Services in Industrial Automation

NASA Astrophysics Data System (ADS)

Candido, Gonçalo; Barata, José; Jammes, François; Colombo, Armando W.

Service-oriented Architecture (SOA) is becoming a de facto paradigm for business and enterprise integration. SOA is expanding into several domains of application envisioning a unified solution suitable across all different layers of an enterprise infrastructure. The application of SOA based on open web standards can significantly enhance the interoperability and openness of those devices. By embedding a dynamical deployment service even into small field de- vices, it would be either possible to allow machine builders to place built- in services and still allow the integrator to deploy on-the-run the services that best fit his current application. This approach allows the developer to keep his own preferred development language, but still deliver a SOA- compliant application. A dynamic deployment service is envisaged as a fundamental framework to support more complex applications, reducing deployment delays, while increasing overall system agility. As use-case scenario, a dynamic deployment service was implemented over DPWS and WS-Management specifications allowing designing and programming an automation application using IEC61131 languages, and deploying these components as web services into devices.

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.

Optimizing legacy molecular dynamics software with directive-based offload

DOE PAGES

Michael Brown, W.; Carrillo, Jan-Michael Y.; Gavhane, Nitin; ...

2015-05-14

The directive-based programming models are one solution for exploiting many-core coprocessors to increase simulation rates in molecular dynamics. They offer the potential to reduce code complexity with offload models that can selectively target computations to run on the CPU, the coprocessor, or both. In our paper, we describe modifications to the LAMMPS molecular dynamics code to enable concurrent calculations on a CPU and coprocessor. We also demonstrate that standard molecular dynamics algorithms can run efficiently on both the CPU and an x86-based coprocessor using the same subroutines. As a consequence, we demonstrate that code optimizations for the coprocessor also resultmore » in speedups on the CPU; in extreme cases up to 4.7X. We provide results for LAMMAS benchmarks and for production molecular dynamics simulations using the Stampede hybrid supercomputer with both Intel (R) Xeon Phi (TM) coprocessors and NVIDIA GPUs: The optimizations presented have increased simulation rates by over 2X for organic molecules and over 7X for liquid crystals on Stampede. The optimizations are available as part of the "Intel package" supplied with LAMMPS. (C) 2015 Elsevier B.V. All rights reserved.« less

Runtime Detection of C-Style Errors in UPC Code

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

Pirkelbauer, P; Liao, C; Panas, T

2011-09-29

Unified Parallel C (UPC) extends the C programming language (ISO C 99) with explicit parallel programming support for the partitioned global address space (PGAS), which provides a global memory space with localized partitions to each thread. Like its ancestor C, UPC is a low-level language that emphasizes code efficiency over safety. The absence of dynamic (and static) safety checks allows programmer oversights and software flaws that can be hard to spot. In this paper, we present an extension of a dynamic analysis tool, ROSE-Code Instrumentation and Runtime Monitor (ROSECIRM), for UPC to help programmers find C-style errors involving the globalmore » address space. Built on top of the ROSE source-to-source compiler infrastructure, the tool instruments source files with code that monitors operations and keeps track of changes to the system state. The resulting code is linked to a runtime monitor that observes the program execution and finds software defects. We describe the extensions to ROSE-CIRM that were necessary to support UPC. We discuss complications that arise from parallel code and our solutions. We test ROSE-CIRM against a runtime error detection test suite, and present performance results obtained from running error-free codes. ROSE-CIRM is released as part of the ROSE compiler under a BSD-style open source license.« less

Microviscoelasticity of adhesive hard sphere dispersions: Tracer particle microrheology of aqueous Pluronic L64 solutions

NASA Astrophysics Data System (ADS)

Kloxin, Christopher J.; van Zanten, John H.

2009-10-01

DWS-based tracer particle microrheology is demonstrated to be a useful way to study the dynamics of aqueous Pluronic L64 solutions, which is viewed as a model adhesive hard sphere (AHS) system. The short-time dynamics of aqueous Pluronic L64 solutions indicate a purely hydrodynamic high frequency microviscosity as predicted by Batchelor for colloidal dispersions. The evolution of the micellar dynamics reveals a zero shear microviscosity in good agreement with steady shear viscosity measurements. As the temperature is increased, the dynamics become dominated by an apparent attractive intermicellar potential observed in microscopic creep measurements. While Pluronic L64 solutions have been reported to form a percolated micellar network, DWS-based microviscoelasticity measurements do not detect the previously observed G'˜G″˜ωΔ scaling expected for a static percolated network at low frequencies. This most likely owes to the fact that tracer particle microrheology is dominated by local Pluronic L64 micelle dynamics in the near sphere region and not the bulk mechanical properties as measured by traditional rheometry. The sensitivity of tracer particle microrheological measurements to the true dynamic nature of the percolated network in weak physical gels highlights the distinct differences between these micro- and macrorheology measurement techniques. Such discrepancies should be most evident in systems that are dominated by association processes such as those occurring in AHS solutions or polymer solutions approaching a phase boundary. Despite this, the AHS potential is qualitatively consistent with the results found here.

Microviscoelasticity of adhesive hard sphere dispersions: tracer particle microrheology of aqueous Pluronic L64 solutions.

PubMed

Kloxin, Christopher J; van Zanten, John H

2009-10-07

DWS-based tracer particle microrheology is demonstrated to be a useful way to study the dynamics of aqueous Pluronic L64 solutions, which is viewed as a model adhesive hard sphere (AHS) system. The short-time dynamics of aqueous Pluronic L64 solutions indicate a purely hydrodynamic high frequency microviscosity as predicted by Batchelor for colloidal dispersions. The evolution of the micellar dynamics reveals a zero shear microviscosity in good agreement with steady shear viscosity measurements. As the temperature is increased, the dynamics become dominated by an apparent attractive intermicellar potential observed in microscopic creep measurements. While Pluronic L64 solutions have been reported to form a percolated micellar network, DWS-based microviscoelasticity measurements do not detect the previously observed G(') approximately G(") approximately omega(Delta) scaling expected for a static percolated network at low frequencies. This most likely owes to the fact that tracer particle microrheology is dominated by local Pluronic L64 micelle dynamics in the near sphere region and not the bulk mechanical properties as measured by traditional rheometry. The sensitivity of tracer particle microrheological measurements to the true dynamic nature of the percolated network in weak physical gels highlights the distinct differences between these micro- and macrorheology measurement techniques. Such discrepancies should be most evident in systems that are dominated by association processes such as those occurring in AHS solutions or polymer solutions approaching a phase boundary. Despite this, the AHS potential is qualitatively consistent with the results found here.

Fundamental solution of the problem of linear programming and method of its determination

NASA Technical Reports Server (NTRS)

Petrunin, S. V.

1978-01-01

The idea of a fundamental solution to a problem in linear programming is introduced. A method of determining the fundamental solution and of applying this method to the solution of a problem in linear programming is proposed. Numerical examples are cited.

Selected achievements, science directions, and new opportunities for the WEBB small watershed research program

USGS Publications Warehouse

Glynn, Pierre D.; Larsen, Matthew C.; Greene, Earl A.; Buss, Heather L.; Clow, David W.; Hunt, Randall J.; Mast, M. Alisa; Murphy, Sheila F.; Peters, Norman E.; Sebestyen, Stephen D.; Shanley, James B.; Walker, John F.

2009-01-01

Over nearly two decades, the Water, Energy, and Biogeochemical Budgets (WEBB) small watershed research program of the U.S. Geological Survey (USGS) has documented how water and solute fluxes, nutrient, carbon, and mercury dynamics, and weathering and sediment transport respond to natural and humancaused drivers, including climate, climate change, and atmospheric deposition. Together with a continued and increasing focus on the effects of climate change, more investigations are needed that examine ecological effects (e.g., evapotranspiration, nutrient uptake) and responses (e.g., species abundances, biodiversity) that are coupled with the physical and chemical processes historically observed in the WEBB program. Greater use of remote sensing, geographic modeling, and habitat/watershed modeling tools is needed, as is closer integration with the USGS-led National Phenology Network. Better understanding of process and system response times is needed. The analysis and observation of land-use and climate change effects over time should be improved by pooling data obtained by the WEBB program during the last two decades with data obtained earlier and (or) concurrently from other research and monitoring studies conducted at or near the five WEBB watershed sites. These data can be supplemented with historical and paleo-environmental information, such as could be obtained from tree rings and lake cores. Because of the relatively pristine nature and small size of its watersheds, the WEBB program could provide process understanding and basic data to better characterize and quantify ecosystem services and to develop and apply indicators of ecosystem health. In collaboration with other Federal and State watershed research programs, the WEBB program has an opportunity to contribute to tracking the short-term dynamics and long-term evolution of ecosystem services and health indicators at a multiplicity of scales across the landscape. 

PAWS/STEM - PADE APPROXIMATION WITH SCALING AND SCALED TAYLOR EXPONENTIAL MATRIX (VAX VMS VERSION)

NASA Technical Reports Server (NTRS)

Butler, R. W.

1994-01-01

Traditional fault-tree techniques for analyzing the reliability of large, complex systems fail to model the dynamic reconfiguration capabilities of modern computer systems. Markov models, on the other hand, can describe fault-recovery (via system reconfiguration) as well as fault-occurrence. The Pade Approximation with Scaling (PAWS) and Scaled Taylor Exponential Matrix (STEM) programs provide a flexible, user-friendly, language-based interface for the creation and evaluation of Markov models describing the behavior of fault-tolerant reconfigurable computer systems. PAWS and STEM produce exact solutions for the probability of system failure and provide a conservative estimate of the number of significant digits in the solution. The calculation of the probability of entering a death state of a Markov model (representing system failure) requires the solution of a set of coupled differential equations. Because of the large disparity between the rates of fault arrivals and system recoveries, Markov models of fault-tolerant architectures inevitably lead to numerically stiff differential equations. Both PAWS and STEM have the capability to solve numerically stiff models. These complementary programs use separate methods to determine the matrix exponential in the solution of the model's system of differential equations. In general, PAWS is better suited to evaluate small and dense models. STEM operates at lower precision, but works faster than PAWS for larger models. The mathematical approach chosen to solve a reliability problem may vary with the size and nature of the problem. Although different solution techniques are utilized on different programs, it is possible to have a common input language. The Systems Validation Methods group at NASA Langley Research Center has created a set of programs that form the basis for a reliability analysis workstation. The set of programs are: SURE reliability analysis program (COSMIC program LAR-13789, LAR-14921); the ASSIST specification interface program (LAR-14193, LAR-14923), PAWS/STEM reliability analysis programs (LAR-14165, LAR-14920); and the FTC fault tree tool (LAR-14586, LAR-14922). FTC is used to calculate the top-event probability for a fault tree. PAWS/STEM and SURE are programs which interpret the same SURE language, but utilize different solution methods. ASSIST is a preprocessor that generates SURE language from a more abstract definition. SURE, ASSIST, and PAWS/STEM are also offered as a bundle. Please see the abstract for COS-10039/COS-10041, SARA - SURE/ASSIST Reliability Analysis Workstation, for pricing details. PAWS/STEM was originally developed for DEC VAX series computers running VMS and was later ported for use on Sun computers running SunOS. The package is written in PASCAL, ANSI compliant C-language, and FORTRAN 77. The standard distribution medium for the VMS version of PAWS/STEM (LAR-14165) is a 9-track 1600 BPI magnetic tape in VMSINSTAL format. It is also available on a TK50 tape cartridge in VMSINSTAL format. Executables are included. The standard distribution medium for the Sun version of PAWS/STEM (LAR-14920) is a .25 inch streaming magnetic tape cartridge in UNIX tar format. Both Sun3 and Sun4 executables are included. PAWS/STEM was developed in 1989 and last updated in 1991. DEC, VAX, VMS, and TK50 are trademarks of Digital Equipment Corporation. SunOS, Sun3, and Sun4 are trademarks of Sun Microsystems, Inc. UNIX is a registered trademark of AT&T Bell Laboratories.

PAWS/STEM - PADE APPROXIMATION WITH SCALING AND SCALED TAYLOR EXPONENTIAL MATRIX (SUN VERSION)

NASA Technical Reports Server (NTRS)

Butler, R. W.

1994-01-01

Traditional fault-tree techniques for analyzing the reliability of large, complex systems fail to model the dynamic reconfiguration capabilities of modern computer systems. Markov models, on the other hand, can describe fault-recovery (via system reconfiguration) as well as fault-occurrence. The Pade Approximation with Scaling (PAWS) and Scaled Taylor Exponential Matrix (STEM) programs provide a flexible, user-friendly, language-based interface for the creation and evaluation of Markov models describing the behavior of fault-tolerant reconfigurable computer systems. PAWS and STEM produce exact solutions for the probability of system failure and provide a conservative estimate of the number of significant digits in the solution. The calculation of the probability of entering a death state of a Markov model (representing system failure) requires the solution of a set of coupled differential equations. Because of the large disparity between the rates of fault arrivals and system recoveries, Markov models of fault-tolerant architectures inevitably lead to numerically stiff differential equations. Both PAWS and STEM have the capability to solve numerically stiff models. These complementary programs use separate methods to determine the matrix exponential in the solution of the model's system of differential equations. In general, PAWS is better suited to evaluate small and dense models. STEM operates at lower precision, but works faster than PAWS for larger models. The mathematical approach chosen to solve a reliability problem may vary with the size and nature of the problem. Although different solution techniques are utilized on different programs, it is possible to have a common input language. The Systems Validation Methods group at NASA Langley Research Center has created a set of programs that form the basis for a reliability analysis workstation. The set of programs are: SURE reliability analysis program (COSMIC program LAR-13789, LAR-14921); the ASSIST specification interface program (LAR-14193, LAR-14923), PAWS/STEM reliability analysis programs (LAR-14165, LAR-14920); and the FTC fault tree tool (LAR-14586, LAR-14922). FTC is used to calculate the top-event probability for a fault tree. PAWS/STEM and SURE are programs which interpret the same SURE language, but utilize different solution methods. ASSIST is a preprocessor that generates SURE language from a more abstract definition. SURE, ASSIST, and PAWS/STEM are also offered as a bundle. Please see the abstract for COS-10039/COS-10041, SARA - SURE/ASSIST Reliability Analysis Workstation, for pricing details. PAWS/STEM was originally developed for DEC VAX series computers running VMS and was later ported for use on Sun computers running SunOS. The package is written in PASCAL, ANSI compliant C-language, and FORTRAN 77. The standard distribution medium for the VMS version of PAWS/STEM (LAR-14165) is a 9-track 1600 BPI magnetic tape in VMSINSTAL format. It is also available on a TK50 tape cartridge in VMSINSTAL format. Executables are included. The standard distribution medium for the Sun version of PAWS/STEM (LAR-14920) is a .25 inch streaming magnetic tape cartridge in UNIX tar format. Both Sun3 and Sun4 executables are included. PAWS/STEM was developed in 1989 and last updated in 1991. DEC, VAX, VMS, and TK50 are trademarks of Digital Equipment Corporation. SunOS, Sun3, and Sun4 are trademarks of Sun Microsystems, Inc. UNIX is a registered trademark of AT&T Bell Laboratories.

Attitude dynamics simulation subroutines for systems of hinge-connected rigid bodies with nonrigid appendages

NASA Technical Reports Server (NTRS)

Fleischer, G. E.; Likins, P. W.

1975-01-01

Three computer subroutines designed to solve the vector-dyadic differential equations of rotational motion for systems that may be idealized as a collection of hinge-connected rigid bodies assembled in a tree topology, with an optional flexible appendage attached to each body are reported. Deformations of the appendages are mathematically represented by modal coordinates and are assumed small. Within these constraints, the subroutines provide equation solutions for (1) the most general case of unrestricted hinge rotations, with appendage base bodies nominally rotating at a constant speed, (2) the case of unrestricted hinge rotations between rigid bodies, with the restriction that those rigid bodies carrying appendages are nominally nonspinning, and (3) the case of small hinge rotations and nominally nonrotating appendages. Sample problems and their solutions are presented to illustrate the utility of the computer programs.

Matrix pentagons

NASA Astrophysics Data System (ADS)

Belitsky, A. V.

2017-10-01

The Operator Product Expansion for null polygonal Wilson loop in planar maximally supersymmetric Yang-Mills theory runs systematically in terms of multi-particle pentagon transitions which encode the physics of excitations propagating on the color flux tube ending on the sides of the four-dimensional contour. Their dynamics was unraveled in the past several years and culminated in a complete description of pentagons as an exact function of the 't Hooft coupling. In this paper we provide a solution for the last building block in this program, the SU(4) matrix structure arising from internal symmetry indices of scalars and fermions. This is achieved by a recursive solution of the Mirror and Watson equations obeyed by the so-called singlet pentagons and fixing the form of the twisted component in their tensor decomposition. The non-singlet, or charged, pentagons are deduced from these by a limiting procedure.

Application of the Hughes-LIU algorithm to the 2-dimensional heat equation

NASA Technical Reports Server (NTRS)

Malkus, D. S.; Reichmann, P. I.; Haftka, R. T.

1982-01-01

An implicit explicit algorithm for the solution of transient problems in structural dynamics is described. The method involved dividing the finite elements into implicit and explicit groups while automatically satisfying the conditions. This algorithm is applied to the solution of the linear, transient, two dimensional heat equation subject to an initial condition derived from the soluton of a steady state problem over an L-shaped region made up of a good conductor and an insulating material. Using the IIT/PRIME computer with virtual memory, a FORTRAN computer program code was developed to make accuracy, stability, and cost comparisons among the fully explicit Euler, the Hughes-Liu, and the fully implicit Crank-Nicholson algorithms. The Hughes-Liu claim that the explicit group governs the stability of the entire region while maintaining the unconditional stability of the implicit group is illustrated.

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

PubMed

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

2018-01-09

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

Neural-Dynamic-Method-Based Dual-Arm CMG Scheme With Time-Varying Constraints Applied to Humanoid Robots.

PubMed

Zhang, Zhijun; Li, Zhijun; Zhang, Yunong; Luo, Yamei; Li, Yuanqing

2015-12-01

We propose a dual-arm cyclic-motion-generation (DACMG) scheme by a neural-dynamic method, which can remedy the joint-angle-drift phenomenon of a humanoid robot. In particular, according to a neural-dynamic design method, first, a cyclic-motion performance index is exploited and applied. This cyclic-motion performance index is then integrated into a quadratic programming (QP)-type scheme with time-varying constraints, called the time-varying-constrained DACMG (TVC-DACMG) scheme. The scheme includes the kinematic motion equations of two arms and the time-varying joint limits. The scheme can not only generate the cyclic motion of two arms for a humanoid robot but also control the arms to move to the desired position. In addition, the scheme considers the physical limit avoidance. To solve the QP problem, a recurrent neural network is presented and used to obtain the optimal solutions. Computer simulations and physical experiments demonstrate the effectiveness and the accuracy of such a TVC-DACMG scheme and the neural network solver.

Nonlinear dynamics that appears in the dynamical model of drying process of a polymer solution coated on a flat substrate

NASA Astrophysics Data System (ADS)

Kagami, Hiroyuki

2007-01-01

We have proposed and modified the dynamical model of drying process of polymer solution coated on a flat substrate for flat polymer film fabrication and have presented the fruits through some meetings and so on. Though basic equations of the dynamical model have characteristic nonlinearity, character of the nonlinearity has not been studied enough yet. In this paper, at first, we derive nonlinear equations from the dynamical model of drying process of polymer solution. Then we introduce results of numerical simulations of the nonlinear equations and consider roles of various parameters. Some of them are indirectly concerned in strength of non-equilibriumity. Through this study, we approach essential qualities of nonlinearity in non-equilibrium process of drying process.

Time-dependent nonlinear Jaynes-Cummings dynamics of a trapped ion

NASA Astrophysics Data System (ADS)

Krumm, F.; Vogel, W.

2018-04-01

In quantum interaction problems with explicitly time-dependent interaction Hamiltonians, the time ordering plays a crucial role for describing the quantum evolution of the system under consideration. In such complex scenarios, exact solutions of the dynamics are rarely available. Here we study the nonlinear vibronic dynamics of a trapped ion, driven in the resolved sideband regime with some small frequency mismatch. By describing the pump field in a quantized manner, we are able to derive exact solutions for the dynamics of the system. This eventually allows us to provide analytical solutions for various types of time-dependent quantities. In particular, we study in some detail the electronic and the motional quantum dynamics of the ion, as well as the time evolution of the nonclassicality of the motional quantum state.

Two-dimensional solitary waves and periodic waves on coupled nonlinear electrical transmission lines

NASA Astrophysics Data System (ADS)

Wang, Heng; Zheng, Shuhua

2017-06-01

By using the dynamical system approach, the exact travelling wave solutions for a system of coupled nonlinear electrical transmission lines are studied. Based on this method, the bifurcations of phase portraits of a dynamical system are given. The two-dimensional solitary wave solutions and periodic wave solutions on coupled nonlinear transmission lines are obtained. With the aid of Maple, the numerical simulations are conducted for solitary wave solutions and periodic wave solutions to the model equation. The results presented in this paper improve upon previous studies.

SIVA/DIVA- INITIAL VALUE ORDINARY DIFFERENTIAL EQUATION SOLUTION VIA A VARIABLE ORDER ADAMS METHOD

NASA Technical Reports Server (NTRS)

Krogh, F. T.

1994-01-01

The SIVA/DIVA package is a collection of subroutines for the solution of ordinary differential equations. There are versions for single precision and double precision arithmetic. These solutions are applicable to stiff or nonstiff differential equations of first or second order. SIVA/DIVA requires fewer evaluations of derivatives than other variable order Adams predictor-corrector methods. There is an option for the direct integration of second order equations which can make integration of trajectory problems significantly more efficient. Other capabilities of SIVA/DIVA include: monitoring a user supplied function which can be separate from the derivative; dynamically controlling the step size; displaying or not displaying output at initial, final, and step size change points; saving the estimated local error; and reverse communication where subroutines return to the user for output or computation of derivatives instead of automatically performing calculations. The user must supply SIVA/DIVA with: 1) the number of equations; 2) initial values for the dependent and independent variables, integration stepsize, error tolerance, etc.; and 3) the driver program and operational parameters necessary for subroutine execution. SIVA/DIVA contains an extensive diagnostic message library should errors occur during execution. SIVA/DIVA is written in FORTRAN 77 for batch execution and is machine independent. It has a central memory requirement of approximately 120K of 8 bit bytes. This program was developed in 1983 and last updated in 1987.

Full Multigrid Flow Solver

NASA Technical Reports Server (NTRS)

Mineck, Raymond E.; Thomas, James L.; Biedron, Robert T.; Diskin, Boris

2005-01-01

FMG3D (full multigrid 3 dimensions) is a pilot computer program that solves equations of fluid flow using a finite difference representation on a structured grid. Infrastructure exists for three dimensions but the current implementation treats only two dimensions. Written in Fortran 90, FMG3D takes advantage of the recursive subroutine feature, dynamic memory allocation, and structured-programming constructs of that language. FMG3D supports multi-block grids with three types of block-to-block interfaces: periodic, C-zero, and C-infinity. For all three types, grid points must match at interfaces. For periodic and C-infinity types, derivatives of grid metrics must be continuous at interfaces. The available equation sets are as follows: scalar elliptic equations, scalar convection equations, and the pressure-Poisson formulation of the Navier-Stokes equations for an incompressible fluid. All the equation sets are implemented with nonzero forcing functions to enable the use of user-specified solutions to assist in verification and validation. The equations are solved with a full multigrid scheme using a full approximation scheme to converge the solution on each succeeding grid level. Restriction to the next coarser mesh uses direct injection for variables and full weighting for residual quantities; prolongation of the coarse grid correction from the coarse mesh to the fine mesh uses bilinear interpolation; and prolongation of the coarse grid solution uses bicubic interpolation.

SOILSOLN: A Program for Teaching Equilibria Modeling of Soil Solution Composition.

ERIC Educational Resources Information Center

Wolt, Jeffrey D.

1989-01-01

Presents a computer program for use in teaching ion speciation in soil solutions. Provides information on the structure of the program, execution, and software specifications. The program estimates concentrations of ion pairs, hydrolytic species, metal-organic complexes, and free ions in solutions. (Author/RT)

Stochastic dynamics and combinatorial optimization

NASA Astrophysics Data System (ADS)

Ovchinnikov, Igor V.; Wang, Kang L.

2017-11-01

Natural dynamics is often dominated by sudden nonlinear processes such as neuroavalanches, gamma-ray bursts, solar flares, etc., that exhibit scale-free statistics much in the spirit of the logarithmic Ritcher scale for earthquake magnitudes. On phase diagrams, stochastic dynamical systems (DSs) exhibiting this type of dynamics belong to the finite-width phase (N-phase for brevity) that precedes ordinary chaotic behavior and that is known under such names as noise-induced chaos, self-organized criticality, dynamical complexity, etc. Within the recently proposed supersymmetric theory of stochastic dynamics, the N-phase can be roughly interpreted as the noise-induced “overlap” between integrable and chaotic deterministic dynamics. As a result, the N-phase dynamics inherits the properties of the both. Here, we analyze this unique set of properties and conclude that the N-phase DSs must naturally be the most efficient optimizers: on one hand, N-phase DSs have integrable flows with well-defined attractors that can be associated with candidate solutions and, on the other hand, the noise-induced attractor-to-attractor dynamics in the N-phase is effectively chaotic or aperiodic so that a DS must avoid revisiting solutions/attractors thus accelerating the search for the best solution. Based on this understanding, we propose a method for stochastic dynamical optimization using the N-phase DSs. This method can be viewed as a hybrid of the simulated and chaotic annealing methods. Our proposition can result in a new generation of hardware devices for efficient solution of various search and/or combinatorial optimization problems.

QuTiP 2: A Python framework for the dynamics of open quantum systems

NASA Astrophysics Data System (ADS)

Johansson, J. R.; Nation, P. D.; Nori, Franco

2013-04-01

We present version 2 of QuTiP, the Quantum Toolbox in Python. Compared to the preceding version [J.R. Johansson, P.D. Nation, F. Nori, Comput. Phys. Commun. 183 (2012) 1760.], we have introduced numerous new features, enhanced performance, and made changes in the Application Programming Interface (API) for improved functionality and consistency within the package, as well as increased compatibility with existing conventions used in other scientific software packages for Python. The most significant new features include efficient solvers for arbitrary time-dependent Hamiltonians and collapse operators, support for the Floquet formalism, and new solvers for Bloch-Redfield and Floquet-Markov master equations. Here we introduce these new features, demonstrate their use, and give a summary of the important backward-incompatible API changes introduced in this version. Catalog identifier: AEMB_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMB_v2_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 33625 No. of bytes in distributed program, including test data, etc.: 410064 Distribution format: tar.gz Programming language: Python. Computer: i386, x86-64. Operating system: Linux, Mac OSX. RAM: 2+ Gigabytes Classification: 7. External routines: NumPy, SciPy, Matplotlib, Cython Catalog identifier of previous version: AEMB_v1_0 Journal reference of previous version: Comput. Phys. Comm. 183 (2012) 1760 Does the new version supercede the previous version?: Yes Nature of problem: Dynamics of open quantum systems Solution method: Numerical solutions to Lindblad, Floquet-Markov, and Bloch-Redfield master equations, as well as the Monte Carlo wave function method. Reasons for new version: Compared to the preceding version we have introduced numerous new features, enhanced performance, and made changes in the Application Programming Interface (API) for improved functionality and consistency within the package, as well as increased compatibility with existing conventions used in other scientific software packages for Python. The most significant new features include efficient solvers for arbitrary time-dependent Hamiltonians and collapse operators, support for the Floquet formalism, and new solvers for Bloch-Redfield and Floquet-Markov master equations. Restrictions: Problems must meet the criteria for using the master equation in Lindblad, Floquet-Markov, or Bloch-Redfield form. Running time: A few seconds up to several tens of hours, depending on size of the underlying Hilbert space.

Polynomial algorithms for the Maximal Pairing Problem: efficient phylogenetic targeting on arbitrary trees

PubMed Central

2010-01-01

Background The Maximal Pairing Problem (MPP) is the prototype of a class of combinatorial optimization problems that are of considerable interest in bioinformatics: Given an arbitrary phylogenetic tree T and weights ωxy for the paths between any two pairs of leaves (x, y), what is the collection of edge-disjoint paths between pairs of leaves that maximizes the total weight? Special cases of the MPP for binary trees and equal weights have been described previously; algorithms to solve the general MPP are still missing, however. Results We describe a relatively simple dynamic programming algorithm for the special case of binary trees. We then show that the general case of multifurcating trees can be treated by interleaving solutions to certain auxiliary Maximum Weighted Matching problems with an extension of this dynamic programming approach, resulting in an overall polynomial-time solution of complexity (n4 log n) w.r.t. the number n of leaves. The source code of a C implementation can be obtained under the GNU Public License from http://www.bioinf.uni-leipzig.de/Software/Targeting. For binary trees, we furthermore discuss several constrained variants of the MPP as well as a partition function approach to the probabilistic version of the MPP. Conclusions The algorithms introduced here make it possible to solve the MPP also for large trees with high-degree vertices. This has practical relevance in the field of comparative phylogenetics and, for example, in the context of phylogenetic targeting, i.e., data collection with resource limitations. PMID:20525185

Optimization of rotor blades for combined structural, dynamic, and aerodynamic properties

NASA Technical Reports Server (NTRS)

He, Cheng-Jian; Peters, David A.

1990-01-01

Optimal helicopter blade design with computer-based mathematical programming has received more and more attention in recent years. Most of the research has focused on optimum dynamic characteristics of rotor blades to reduce vehicle vibration. There is also work on optimization of aerodynamic performance and on composite structural design. This research has greatly increased our understanding of helicopter optimum design in each of these aspects. Helicopter design is an inherently multidisciplinary process involving strong interactions among various disciplines which can appropriately include aerodynamics; dynamics, both flight dynamics and structural dynamics; aeroelasticity: vibrations and stability; and even acoustics. Therefore, the helicopter design process must satisfy manifold requirements related to the aforementioned diverse disciplines. In our present work, we attempt to combine several of these important effects in a unified manner. First, we design a blade with optimum aerodynamic performance by proper layout of blade planform and spanwise twist. Second, the blade is designed to have natural frequencies that are placed away from integer multiples of the rotor speed for a good dynamic characteristics. Third, the structure is made as light as possible with sufficient rotational inertia to allow for autorotational landing, with safe stress margins and flight fatigue life at each cross-section, and with aeroelastical stability and low vibrations. Finally, a unified optimization refines the solution.

Dynamics of Robertson–Walker spacetimes with diffusion

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

Alho, A., E-mail: aalho@math.ist.utl.pt; Calogero, S., E-mail: calogero@chalmers.se; Machado Ramos, M.P., E-mail: mpr@mct.uminho.pt

2015-03-15

We study the dynamics of spatially homogeneous and isotropic spacetimes containing a fluid undergoing microscopic velocity diffusion in a cosmological scalar field. After deriving a few exact solutions of the equations, we continue by analyzing the qualitative behavior of general solutions. To this purpose we recast the equations in the form of a two dimensional dynamical system and perform a global analysis of the flow. Among the admissible behaviors, we find solutions that are asymptotically de-Sitter both in the past and future time directions and which undergo accelerated expansion at all times.

Useful properties of spinal circuits for learning and performing planar reaches

NASA Astrophysics Data System (ADS)

Tsianos, George A.; Goodner, Jared; Loeb, Gerald E.

2014-10-01

Objective. We developed a detailed model of the spinal circuitry plus musculoskeletal system (SC + MS) for the primate arm and investigated its role in sensorimotor control, learning and storing of movement repertoires. Approach. Recently developed models of spinal circuit connectivity, neurons and muscle force/energetics were integrated and in some cases refined to construct the most comprehensive model of the SC + MS to date. The SC + MS’s potential contributions to center-out reaching movement were assessed by employing an extremely simple model of the brain that issued only step commands. Main results. The SC + MS was able to generate physiological muscle dynamics underlying reaching across different directions, distances, speeds, and even in the midst of strong dynamic perturbations (i.e. viscous curl field). For each task, there were many different combinations of brain inputs that generated physiological performance. Natural patterns of recruitment and low metabolic cost emerged for about half of the learning trials when a purely kinematic cost function was used and for all of the trials when an estimate of metabolic energy consumption was added to the cost function. Solutions for different tasks could be interpolated to generate intermediate movement and the range over which interpolation was successful was consistent with experimental reports. Significance. This is the first demonstration that a realistic model of the SC + MS is capable of generating the required dynamics of center-out reaching. The interpolability observed is important for the feasibility of storing motor programs in memory rather than computing them from internal models of the musculoskeletal plant. Successful interpolation of command programs required them to have similar muscle recruitment patterns, which are thought by many to arise from hard-wired muscle synergies rather than learned as in our model system. These properties of the SC + MS along with its tendency to generate energetically efficient solutions might usefully be employed by motor cortex to generate voluntary behaviors such as reaching to targets.

Trading Rules on Stock Markets Using Genetic Network Programming with Reinforcement Learning and Importance Index

NASA Astrophysics Data System (ADS)

Mabu, Shingo; Hirasawa, Kotaro; Furuzuki, Takayuki

Genetic Network Programming (GNP) is an evolutionary computation which represents its solutions using graph structures. Since GNP can create quite compact programs and has an implicit memory function, it has been clarified that GNP works well especially in dynamic environments. In addition, a study on creating trading rules on stock markets using GNP with Importance Index (GNP-IMX) has been done. IMX is a new element which is a criterion for decision making. In this paper, we combined GNP-IMX with Actor-Critic (GNP-IMX&AC) and create trading rules on stock markets. Evolution-based methods evolve their programs after enough period of time because they must calculate fitness values, however reinforcement learning can change programs during the period, therefore the trading rules can be created efficiently. In the simulation, the proposed method is trained using the stock prices of 10 brands in 2002 and 2003. Then the generalization ability is tested using the stock prices in 2004. The simulation results show that the proposed method can obtain larger profits than GNP-IMX without AC and Buy&Hold.

The dynamics of a delayed predator-prey model with state dependent feedback control

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

Singh, Anuraj; Gakkhar, Sunita

2011-11-30

A delayed prey-predator model with state-dependent impulses is investigated. The sufficient conditions of existence and stability of semi-trivial solution and positive period-1 solution are obtained by using the Poincare map and analogue of the Poincare Criterion. The qualitative analysis shows that the positive period-one solution bifurcates from the semi-trivial solution through a fold bifurcation. The complex dynamics including chaos is obtained and numerical simulations substantiate the analytical results.

Curvature perturbation and domain wall formation with pseudo scaling scalar dynamics

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

Ema, Yohei; Nakayama, Kazunori; Takimoto, Masahiro, E-mail: ema@hep-th.phys.s.u-tokyo.ac.jp, E-mail: kazunori@hep-th.phys.s.u-tokyo.ac.jp, E-mail: takimoto@hep-th.phys.s.u-tokyo.ac.jp

2016-02-01

Cosmological dynamics of scalar field with a monomial potential φ{sup n} with a general background equation of state is revisited. It is known that if n is smaller than a critical value, the scalar field exhibits a coherent oscillation and if n is larger it obeys a scaling solution without oscillation. We study in detail the case where n is equal to the critical value, and find a peculiar scalar dynamics which is neither oscillating nor scaling solution, and we call it a pseudo scaling solution. We also discuss cosmological implications of a pseudo scaling scalar dynamics, such as themore » curvature perturbation and the domain wall problem.« less

Study of propellant dynamics in a shuttle type launch vehicle

NASA Technical Reports Server (NTRS)

Jones, C. E.; Feng, G. C.

1972-01-01

A method and an associated digital computer program for evaluating the vibrational characteristics of large liquid-filled rigid wall tanks of general shape are presented. A solution procedure was developed in which slosh modes and frequencies are computed for systems mathematically modeled as assemblages of liquid finite elements. To retain sparsity in the assembled system mass and stiffness matrices, a compressible liquid element formulation was incorporated in the program. The approach taken in the liquid finite element formulation is compatible with triangular and quadrilateral structural finite elements so that the analysis of liquid motion can be coupled with flexible tank wall motion at some future time. The liquid element repertoire developed during the course of this study consists of a two-dimensional triangular element and a three-dimensional tetrahedral element.

Nonlinear earthquake analysis of reinforced concrete frames with fiber and Bernoulli-Euler beam-column element.

PubMed

Karaton, Muhammet

2014-01-01

A beam-column element based on the Euler-Bernoulli beam theory is researched for nonlinear dynamic analysis of reinforced concrete (RC) structural element. Stiffness matrix of this element is obtained by using rigidity method. A solution technique that included nonlinear dynamic substructure procedure is developed for dynamic analyses of RC frames. A predicted-corrected form of the Bossak-α method is applied for dynamic integration scheme. A comparison of experimental data of a RC column element with numerical results, obtained from proposed solution technique, is studied for verification the numerical solutions. Furthermore, nonlinear cyclic analysis results of a portal reinforced concrete frame are achieved for comparing the proposed solution technique with Fibre element, based on flexibility method. However, seismic damage analyses of an 8-story RC frame structure with soft-story are investigated for cases of lumped/distributed mass and load. Damage region, propagation, and intensities according to both approaches are researched.

Fragmentation-based QM/MM simulations: length dependence of chain dynamics and hydrogen bonding of polyethylene oxide and polyethylene in aqueous solutions.

PubMed

Li, Hui; Li, Wei; Li, Shuhua; Ma, Jing

2008-06-12

Molecular fragmentation quantum mechanics (QM) calculations have been combined with molecular mechanics (MM) to construct the fragmentation QM/MM method for simulations of dilute solutions of macromolecules. We adopt the electrostatics embedding QM/MM model, where the low-cost generalized energy-based fragmentation calculations are employed for the QM part. Conformation energy calculations, geometry optimizations, and Born-Oppenheimer molecular dynamics simulations of poly(ethylene oxide), PEO(n) (n = 6-20), and polyethylene, PE(n) ( n = 9-30), in aqueous solution have been performed within the framework of both fragmentation and conventional QM/MM methods. The intermolecular hydrogen bonding and chain configurations obtained from the fragmentation QM/MM simulations are consistent with the conventional QM/MM method. The length dependence of chain conformations and dynamics of PEO and PE oligomers in aqueous solutions is also investigated through the fragmentation QM/MM molecular dynamics simulations.

Las Palmeras Molecular Dynamics: A flexible and modular molecular dynamics code

NASA Astrophysics Data System (ADS)

Davis, Sergio; Loyola, Claudia; González, Felipe; Peralta, Joaquín

2010-12-01

Las Palmeras Molecular Dynamics (LPMD) is a highly modular and extensible molecular dynamics (MD) code using interatomic potential functions. LPMD is able to perform equilibrium MD simulations of bulk crystalline solids, amorphous solids and liquids, as well as non-equilibrium MD (NEMD) simulations such as shock wave propagation, projectile impacts, cluster collisions, shearing, deformation under load, heat conduction, heterogeneous melting, among others, which involve unusual MD features like non-moving atoms and walls, unstoppable atoms with constant-velocity, and external forces like electric fields. LPMD is written in C++ as a compromise between efficiency and clarity of design, and its architecture is based on separate components or plug-ins, implemented as modules which are loaded on demand at runtime. The advantage of this architecture is the ability to completely link together the desired components involved in the simulation in different ways at runtime, using a user-friendly control file language which describes the simulation work-flow. As an added bonus, the plug-in API (Application Programming Interface) makes it possible to use the LPMD components to analyze data coming from other simulation packages, convert between input file formats, apply different transformations to saved MD atomic trajectories, and visualize dynamical processes either in real-time or as a post-processing step. Individual components, such as a new potential function, a new integrator, a new file format, new properties to calculate, new real-time visualizers, and even a new algorithm for handling neighbor lists can be easily coded, compiled and tested within LPMD by virtue of its object-oriented API, without the need to modify the rest of the code. LPMD includes already several pair potential functions such as Lennard-Jones, Morse, Buckingham, MCY and the harmonic potential, as well as embedded-atom model (EAM) functions such as the Sutton-Chen and Gupta potentials. Integrators to choose include Euler (if only for demonstration purposes), Verlet and Velocity Verlet, Leapfrog and Beeman, among others. Electrostatic forces are treated as another potential function, by default using the plug-in implementing the Ewald summation method. Program summaryProgram title: LPMD Catalogue identifier: AEHG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 509 490 No. of bytes in distributed program, including test data, etc.: 6 814 754 Distribution format: tar.gz Programming language: C++ Computer: 32-bit and 64-bit workstation Operating system: UNIX RAM: Minimum 1024 bytes Classification: 7.7 External routines: zlib, OpenGL Nature of problem: Study of Statistical Mechanics and Thermodynamics of condensed matter systems, as well as kinetics of non-equilibrium processes in the same systems. Solution method: Equilibrium and non-equilibrium molecular dynamics method, Monte Carlo methods. Restrictions: Rigid molecules are not supported. Polarizable atoms and chemical bonds (proteins) either. Unusual features: The program is able to change the temperature of the simulation cell, the pressure, cut regions of the cell, color the atoms by properties, even during the simulation. It is also possible to fix the positions and/or velocity of groups of atoms. Visualization of atoms and some physical properties during the simulation. Additional comments: The program does not only perform molecular dynamics and Monte Carlo simulations, it is also able to filter and manipulate atomic configurations, read and write different file formats, convert between them, evaluate different structural and dynamical properties. Running time: 50 seconds on a 1000-step simulation of 4000 argon atoms, running on a single 2.67 GHz Intel processor.

Dynamically controlled crystallization method and apparatus and crystals obtained thereby

NASA Technical Reports Server (NTRS)

Arnowitz, Leonard (Inventor); Steinberg, Emanuel (Inventor)

1999-01-01

A method and apparatus for dynamically controlling the crystallization of proteins including a crystallization chamber or chambers for holding a protein in a salt solution, one or more salt solution chambers, two communication passages respectively coupling the crystallization chamber with each of the salt solution chambers, and transfer mechanisms configured to respectively transfer salt solution between each of the salt solution chambers and the crystallization chamber. The transfer mechanisms are interlocked to maintain the volume of salt solution in the crystallization chamber substantially constant. Salt solution of different concentrations is transferred into and out of the crystallization chamber to adjust the salt concentration in the crystallization chamber to achieve precise control of the crystallization process.

Dynamics of Hydration Water in Sugars and Peptides Solutions

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

Perticaroli, Stefania; Nakanishi, Masahiro; Pashkovski, Eugene

2013-01-01

We analyzed solute and solvent dynamics of sugars and peptides aqueous solutions using extended epolarized light scattering (EDLS) and broadband dielectric spectroscopies (BDS). Spectra measured with both techniques reveal the same mechanism of rotational diffusion of peptides molecules. In the case of sugars, this solute reorientational relaxation can be isolated by EDLS measurements, whereas its ontribution to the dielectric spectra is almost negligible. In the presented analysis, we characterize the hydration water in terms of hydration number and retardation ratio between relaxation times of hydration and bulk water. Both techniques provide similar estimates of . The retardation imposed on themore » hydration water by sugars is 3.3 1.3 and involves only water molecules hydrogen-bonded (HB) to solutes ( 3 water molecules per sugar OH-group). In contrast, polar peptides cause longer range erturbations beyond the first hydration shell, and between 2.8 and 8, increasing with the number of chemical groups engaged in HB formation. We demonstrate that chemical heterogeneity and specific HB interactions play a crucial role in hydration dynamics around polar solutes. The obtained results help to disentangle the role of excluded volume and enthalpic contributions in dynamics of hydration water at the interface with biological molecules.« less

A Low-Cost and Secure Solution for e-Commerce

NASA Astrophysics Data System (ADS)

Pasquet, Marc; Vacquez, Delphine; Rosenberger, Christophe

We present in this paper a new architecture for remote banking and e-commerce applications. The proposed solution is designed to be low cost and provides some good guarantees of security for a client and his bank issuer. Indeed, the main problem for an issuer is to identify and authenticate one client (a cardholder) using his personal computer through the web when this client wants to access to remote banking services or when he wants to pay on a e-commerce site equipped with 3D-secure payment solution. The proposed solution described in this paper is MasterCard Chip Authentication Program compliant and was experimented in the project called SOPAS. The main contribution of this system consists in the use of a smartcard with a I2C bus that pilots a terminal only equipped with a screen and a keyboard. During the use of services, the user types his PIN code on the keyboard and all the security part of the transaction is performed by the chip of the smartcard. None information of security stays on the personal computer and a dynamic token created by the card is sent to the bank and verified by the front end. We present first the defined methodology and we analyze the main security aspects of the proposed solution.

The matrix exponential in transient structural analysis

NASA Technical Reports Server (NTRS)

Minnetyan, Levon

1987-01-01

The primary usefulness of the presented theory is in the ability to represent the effects of high frequency linear response with accuracy, without requiring very small time steps in the analysis of dynamic response. The matrix exponential contains a series approximation to the dynamic model. However, unlike the usual analysis procedure which truncates the high frequency response, the approximation in the exponential matrix solution is in the time domain. By truncating the series solution to the matrix exponential short, the solution is made inaccurate after a certain time. Yet, up to that time the solution is extremely accurate, including all high frequency effects. By taking finite time increments, the exponential matrix solution can compute the response very accurately. Use of the exponential matrix in structural dynamics is demonstrated by simulating the free vibration response of multi degree of freedom models of cantilever beams.

Digging into the Elusive Localised Solutions of (2+1) Dimensional sine-Gordon Equation

NASA Astrophysics Data System (ADS)

Radha, R.; Senthil Kumar, C.

2018-05-01

In this paper, we revisit the (2+1) dimensional sine-Gordon equation analysed earlier [R. Radha and M. Lakshmanan, J. Phys. A Math. Gen. 29, 1551 (1996)] employing the Truncated Painlevé Approach. We then generate the solutions in terms of lower dimensional arbitrary functions of space and time. By suitably harnessing the arbitrary functions present in the closed form of the solution, we have constructed dromion solutions and studied their collisional dynamics. We have also constructed dromion pairs and shown that the dynamics of the dromion pairs can be turned ON or OFF desirably. In addition, we have also shown that the orientation of the dromion pairs can be changed. Apart from the above classes of solutions, we have also generated compactons, rogue waves and lumps and studied their dynamics.

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.

Active vibration control of functionally graded beams with piezoelectric layers based on higher order shear deformation theory

NASA Astrophysics Data System (ADS)

Bendine, K.; Boukhoulda, F. B.; Nouari, M.; Satla, Z.

2016-12-01

This paper reports on a study of active vibration control of functionally graded beams with upper and lower surface-bonded piezoelectric layers. The model is based on higher-order shear deformation theory and implemented using the finite element method (FEM). The proprieties of the functionally graded beam (FGB) are graded along the thickness direction. The piezoelectric actuator provides a damping effect on the FGB by means of a velocity feedback control algorithm. A Matlab program has been developed for the FGB model and compared with ANSYS APDL. Using Newmark's method numerical solutions are obtained for the dynamic equations of FGB with piezoelectric layers. Numerical results show the effects of the constituent volume fraction and the influence the feedback control gain on the frequency and dynamic response of FGBs.

Using transonic small disturbance theory for predicting the aeroelastic stability of a flexible wind-tunnel model

NASA Technical Reports Server (NTRS)

Silva, Walter A.; Bennett, Robert M.

1990-01-01

The CAP-TSD (Computational Aeroelasticity Program - Transonic Small Disturbance) code, developed at the NASA - Langley Research Center, is applied to the Active Flexible Wing (AFW) wind tunnel model for prediction of the model's transonic aeroelastic behavior. Static aeroelastic solutions using CAP-TSD are computed. Dynamic (flutter) analyses are then performed as perturbations about the static aeroelastic deformations of the AFW. The accuracy of the static aeroelastic procedure is investigated by comparing analytical results to those from previous AFW wind tunnel experiments. Dynamic results are presented in the form of root loci at different Mach numbers for a heavy gas and air. The resultant flutter boundaries for both gases are also presented. The effects of viscous damping and angle-of-attack, on the flutter boundary in air, are presented as well.

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.

Program for solution of ordinary differential equations

NASA Technical Reports Server (NTRS)

Sloate, H.

1973-01-01

A program for the solution of linear and nonlinear first order ordinary differential equations is described and user instructions are included. The program contains a new integration algorithm for the solution of initial value problems which is particularly efficient for the solution of differential equations with a wide range of eigenvalues. The program in its present form handles up to ten state variables, but expansion to handle up to fifty state variables is being investigated.

Patient safety problem identification and solution sharing among rural community pharmacists.

PubMed

Galt, Kimberly A; Fuji, Kevin T; Faber, Jennifer

2013-01-01

To implement a communication network for safety problem identification and solution sharing among rural community pharmacists and to report participating pharmacists' perceived value and impact of the network on patient safety after 1 year of implementation. Action research study. Rural community pharmacies in Nebraska from January 2010 to April 2011. Rural community pharmacists who voluntarily agreed to join the Pharmacists for Patient Safety Network in Nebraska. Pharmacists reported errors, near misses, and safety concerns through Web-based event reporting. A rapid feedback process was used to provide patient safety solutions to consider implementing across the network. Qualitative interviews were conducted 1 year after program implementation with participating pharmacists to assess use of the reporting system, value of the disseminated safety solutions, and perceived impact on patient safety in pharmacies. 30 of 38 pharmacists participating in the project completed the interviews. The communication network improved pharmacist awareness, promoted open discussion and knowledge sharing, contributed to practice vigilance, and led to incorporation of proactive safety prevention practices. Despite low participation in error and near-miss reporting, a dynamic communication network designed to rapidly disseminate evidence-based patient safety strategies to reduce risk was valued and effective at improving patient safety practices in rural community pharmacies.

Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer Processes

DTIC Science & Technology

devices and photoelectrochemical cells. Theoretical methodology for simulating the nonadiabatic dynamics of photoinduced PCET reactions in solution has...tuning and control of the ultrafast dynamics is crucial for designing renewable and sustainable energy sources, such as artificial photosynthesis...describes the solute with a multiconfigurational method in a bath of explicit solvent molecules. The transferring hydrogen nucleus is represented as a

Young runoff fractions control streamwater age and solute concentration dynamics

Treesearch

Paolo Benettin; Scott W. Bailey; Andrea Rinaldo; Gene E. Likens; Kevin J. McGuire; Gianluca Botter

2017-01-01

We introduce a new representation of coupled solute and water age dynamics at the catchment scale, which shows how the contributions of young runoff waters can be directly referenced to observed water quality patterns. The methodology stems from recent trends in hydrologic transport that acknowledge the dynamic nature of streamflow age and explores the use of water age...

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions.

PubMed

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-20

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute molecules and the structure and dynamics of water.

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions

NASA Astrophysics Data System (ADS)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-01

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute molecules and the structure and dynamics of water.

A table-top PXI based low-field spectrometer for solution dynamic nuclear polarization.

PubMed

Biller, Joshua R; Stupic, Karl F; Moreland, J

2018-03-01

We present the development of a portable dynamic nuclear polarization (DNP) instrument based on the PCI eXtensions for Instrumentation platform. The main purpose of the instrument is for study of 1 H polarization enhancements in solution through the Overhauser mechanism at low magnetic fields. A DNP probe set was constructed for use at 6.7 mT, using a modified Alderman-Grant resonator at 241 MHz for saturation of the electron transition. The solenoid for detection of the enhanced 1 H signal at 288 kHz was constructed with Litz wire. The largest observed 1 H enhancements (ε) at 6.7 mT for 14 N-CTPO radical in air saturated aqueous solution was ε~65. A concentration dependence of the enhancement is observed, with maximum ε at 5.5 mM. A low resonator efficiency for saturation of the electron paramagnetic resonance transition results in a decrease in ε for the 10.3 mM sample. At high incident powers (42 W) and long pump times, capacitor heating effects can also decrease the enhancement. The core unit and program described here could be easily adopted for multi-frequency DNP work, depending on available main magnets and selection of the "plug and play" arbitrary waveform generator, digitizer, and radiofrequency synthesizer PCI eXtensions for Instrumentatione cards. Published 2017. This article is a U.S. Government work and is in the public domain in the USA.

Suboptimal Scheduling in Switched Systems With Continuous-Time Dynamics: A Least Squares Approach.

PubMed

Sardarmehni, Tohid; Heydari, Ali

2018-06-01

Two approximate solutions for optimal control of switched systems with autonomous subsystems and continuous-time dynamics are presented. The first solution formulates a policy iteration (PI) algorithm for the switched systems with recursive least squares. To reduce the computational burden imposed by the PI algorithm, a second solution, called single loop PI, is presented. Online and concurrent training algorithms are discussed for implementing each solution. At last, effectiveness of the presented algorithms is evaluated through numerical simulations.

METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Biarnés, Xevi; Pietrucci, Fabio; Marinelli, Fabrizio; Laio, Alessandro

2012-01-01

We present a new computational tool, METAGUI, which extends the VMD program with a graphical user interface that allows constructing a thermodynamic and kinetic model of a given process simulated by large-scale molecular dynamics. The tool is specially designed for analyzing metadynamics based simulations. The huge amount of diverse structures generated during such a simulation is partitioned into a set of microstates (i.e. structures with similar values of the collective variables). Their relative free energies are then computed by a weighted-histogram procedure and the most relevant free energy wells are identified by diagonalization of the rate matrix followed by a commitor analysis. All this procedure leads to a convenient representation of the metastable states and long-time kinetics of the system which can be compared with experimental data. The tool allows to seamlessly switch between a collective variables space representation of microstates and their atomic structure representation, which greatly facilitates the set-up and analysis of molecular dynamics simulations. METAGUI is based on the output format of the PLUMED plugin, making it compatible with a number of different molecular dynamics packages like AMBER, NAMD, GROMACS and several others. The METAGUI source files can be downloaded from the PLUMED web site ( http://www.plumed-code.org). Program summaryProgram title: METAGUI Catalogue identifier: AEKH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 117 545 No. of bytes in distributed program, including test data, etc.: 8 516 203 Distribution format: tar.gz Programming language: TK/TCL, Fortran Computer: Any computer with a VMD installation and capable of running an executable produced by a gfortran compiler Operating system: Linux, Unix OS-es RAM: 1 073 741 824 bytes Classification: 23 External routines: A VMD installation ( http://www.ks.uiuc.edu/Research/vmd/) Nature of problem: Extract thermodynamic data and build a kinetic model of a given process simulated by metadynamics or molecular dynamics simulations, and provide this information on a dual representation that allows navigating and exploring the molecular structures corresponding to each point along the multi-dimensional free energy hypersurface. Solution method: Graphical-user interface linked to VMD that clusterizes the simulation trajectories in the space of a set of collective variables and assigns each frame to a given microstate, determines the free energy of each microstate by a weighted histogram analysis method, and identifies the most relevant free energy wells (kinetic basins) by diagonalization of the rate matrix followed by a commitor analysis. Restrictions: Input format files compatible with PLUMED and all the MD engines supported by PLUMED and VMD. Running time: A few minutes.

Molecular dynamics test of the Brownian description of Na(+) motion in water

NASA Technical Reports Server (NTRS)

Wilson, M. A.; Pohorille, A.; Pratt, L. R.

1985-01-01

The present paper provides the results of molecular dynamics calculations on a Na(+) ion in aqueous solution. Attention is given to the sodium-oxygen and sodium-hydrogen radial distribution functions, the velocity autocorrelation function for the Na(+) ion, the autocorrelation function of the force on the stationary ion, and the accuracy of Brownian motion assumptions which are basic to hydrodynamic models of ion dyanmics in solution. It is pointed out that the presented calculations provide accurate data for testing theories of ion dynamics in solution. The conducted tests show that it is feasible to calculate Brownian friction constants for ions in aqueous solutions. It is found that for Na(+) under the considered conditions the Brownian mobility is in error by only 60 percent.

Performance evaluation of the inverse dynamics method for optimal spacecraft reorientation

NASA Astrophysics Data System (ADS)

Ventura, Jacopo; Romano, Marcello; Walter, Ulrich

2015-05-01

This paper investigates the application of the inverse dynamics in the virtual domain method to Euler angles, quaternions, and modified Rodrigues parameters for rapid optimal attitude trajectory generation for spacecraft reorientation maneuvers. The impact of the virtual domain and attitude representation is numerically investigated for both minimum time and minimum energy problems. Owing to the nature of the inverse dynamics method, it yields sub-optimal solutions for minimum time problems. Furthermore, the virtual domain improves the optimality of the solution, but at the cost of more computational time. The attitude representation also affects solution quality and computational speed. For minimum energy problems, the optimal solution can be obtained without the virtual domain with any considered attitude representation.

A molecular dynamics implementation of the 3D Mercedes-Benz water model

NASA Astrophysics Data System (ADS)

Hynninen, T.; Dias, C. L.; Mkrtchyan, A.; Heinonen, V.; Karttunen, M.; Foster, A. S.; Ala-Nissila, T.

2012-02-01

The three-dimensional Mercedes-Benz model was recently introduced to account for the structural and thermodynamic properties of water. It treats water molecules as point-like particles with four dangling bonds in tetrahedral coordination, representing H-bonds of water. Its conceptual simplicity renders the model attractive in studies where complex behaviors emerge from H-bond interactions in water, e.g., the hydrophobic effect. A molecular dynamics (MD) implementation of the model is non-trivial and we outline here the mathematical framework of its force-field. Useful routines written in modern Fortran are also provided. This open source code is free and can easily be modified to account for different physical context. The provided code allows both serial and MPI-parallelized execution. Program summaryProgram title: CASHEW (Coarse Approach Simulator for Hydrogen-bonding Effects in Water) Catalogue identifier: AEKM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKM_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.: 20 501 No. of bytes in distributed program, including test data, etc.: 551 044 Distribution format: tar.gz Programming language: Fortran 90 Computer: Program has been tested on desktop workstations and a Cray XT4/XT5 supercomputer. Operating system: Linux, Unix, OS X Has the code been vectorized or parallelized?: The code has been parallelized using MPI. RAM: Depends on size of system, about 5 MB for 1500 molecules. Classification: 7.7 External routines: A random number generator, Mersenne Twister ( http://www.math.sci.hiroshima-u.ac.jp/m-mat/MT/VERSIONS/FORTRAN/mt95.f90), is used. A copy of the code is included in the distribution. Nature of problem: Molecular dynamics simulation of a new geometric water model. Solution method: New force-field for water molecules, velocity-Verlet integration, representation of molecules as rigid particles with rotations described using quaternion algebra. Restrictions: Memory and cpu time limit the size of simulations. Additional comments: Software web site: https://gitorious.org/cashew/. Running time: Depends on the size of system. The sample tests provided only take a few seconds.

RIP-REMOTE INTERACTIVE PARTICLE-TRACER

NASA Technical Reports Server (NTRS)

Rogers, S. E.

1994-01-01

Remote Interactive Particle-tracing (RIP) is a distributed-graphics program which computes particle traces for computational fluid dynamics (CFD) solution data sets. A particle trace is a line which shows the path a massless particle in a fluid will take; it is a visual image of where the fluid is going. The program is able to compute and display particle traces at a speed of about one trace per second because it runs on two machines concurrently. The data used by the program is contained in two files. The solution file contains data on density, momentum and energy quantities of a flow field at discrete points in three-dimensional space, while the grid file contains the physical coordinates of each of the discrete points. RIP requires two computers. A local graphics workstation interfaces with the user for program control and graphics manipulation, and a remote machine interfaces with the solution data set and performs time-intensive computations. The program utilizes two machines in a distributed mode for two reasons. First, the data to be used by the program is usually generated on the supercomputer. RIP avoids having to convert and transfer the data, eliminating any memory limitations of the local machine. Second, as computing the particle traces can be computationally expensive, RIP utilizes the power of the supercomputer for this task. Although the remote site code was developed on a CRAY, it is possible to port this to any supercomputer class machine with a UNIX-like operating system. Integration of a velocity field from a starting physical location produces the particle trace. The remote machine computes the particle traces using the particle-tracing subroutines from PLOT3D/AMES, a CFD post-processing graphics program available from COSMIC (ARC-12779). These routines use a second-order predictor-corrector method to integrate the velocity field. Then the remote program sends graphics tokens to the local machine via a remote-graphics library. The local machine interprets the graphics tokens and draws the particle traces. The program is menu driven. RIP is implemented on the silicon graphics IRIS 3000 (local workstation) with an IRIX operating system and on the CRAY2 (remote station) with a UNICOS 1.0 or 2.0 operating system. The IRIS 4D can be used in place of the IRIS 3000. The program is written in C (67%) and FORTRAN 77 (43%) and has an IRIS memory requirement of 4 MB. The remote and local stations must use the same user ID. PLOT3D/AMES unformatted data sets are required for the remote machine. The program was developed in 1988.

Investigation of the dynamics of aqueous proline solutions using neutron scattering and molecular dynamics simulations.

PubMed

Malo de Molina, Paula; Alvarez, Fernando; Frick, Bernhard; Wildes, Andrew; Arbe, Arantxa; Colmenero, Juan

2017-10-18

We applied quasielastic neutron scattering (QENS) techniques to samples with two different contrasts (deuterated solute/hydrogenated solvent and the opposite label) to selectively study the component dynamics of proline/water solutions. Results on diluted and concentrated solutions (31 and 6 water molecules/proline molecule, respectively) were analyzed in terms of the susceptibility and considering a recently proposed model for water dynamics [Arbe et al., Phys. Rev. Lett., 2016, 117, 185501] which includes vibrations and the convolution of localized motions and diffusion. We found that proline molecules not only reduce the average diffusion coefficient of water but also extend the time/frequency range of the crossover region ('cage') between the vibrations and purely diffusive behavior. For the high proline concentration we also found experimental evidence of water heterogeneous dynamics and a distribution of diffusion coefficients. Complementary molecular dynamics simulations show that water molecules start to perform rotational diffusion when they escape the cage regime but before the purely diffusive behavior is established. The rotational diffusion regime is also retarded by the presence of proline molecules. On the other hand, a strong coupling between proline and water diffusive dynamics which persists with decreasing temperature is directly observed using QENS. Not only are the temperature dependences of the diffusion coefficients of both components the same, but their absolute values also approach each other with increasing proline concentration. We compared our results with those reported using other techniques, in particular using dielectric spectroscopy (DS). A simple approach based on molecular hydrodynamics and a molecular treatment of DS allows rationalizing the a priori puzzling inconsistency between QENS and dielectric results regarding the dynamic coupling of the two components. The interpretation proposed is based on general grounds and therefore should be applicable to other biomolecular solutions.

Atomic detail brownian dynamics simulations of concentrated protein solutions with a mean field treatment of hydrodynamic interactions.

PubMed

Mereghetti, Paolo; Wade, Rebecca C

2012-07-26

High macromolecular concentrations are a distinguishing feature of living organisms. Understanding how the high concentration of solutes affects the dynamic properties of biological macromolecules is fundamental for the comprehension of biological processes in living systems. In this paper, we describe the implementation of mean field models of translational and rotational hydrodynamic interactions into an atomically detailed many-protein brownian dynamics simulation method. Concentrated solutions (30-40% volume fraction) of myoglobin, hemoglobin A, and sickle cell hemoglobin S were simulated, and static structure factors, oligomer formation, and translational and rotational self-diffusion coefficients were computed. Good agreement of computed properties with available experimental data was obtained. The results show the importance of both solvent mediated interactions and weak protein-protein interactions for accurately describing the dynamics and the association properties of concentrated protein solutions. Specifically, they show a qualitative difference in the translational and rotational dynamics of the systems studied. Although the translational diffusion coefficient is controlled by macromolecular shape and hydrodynamic interactions, the rotational diffusion coefficient is affected by macromolecular shape, direct intermolecular interactions, and both translational and rotational hydrodynamic interactions.

System Simulation by Recursive Feedback: Coupling A Set of Stand-Alone Subsystem Simulations

NASA Technical Reports Server (NTRS)

Nixon, Douglas D.; Hanson, John M. (Technical Monitor)

2002-01-01

Recursive feedback is defined and discussed as a framework for development of specific algorithms and procedures that propagate the time-domain solution for a dynamical system simulation consisting of multiple numerically coupled self-contained stand-alone subsystem simulations. A satellite motion example containing three subsystems (other dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Centralized and distributed versions of coupling structure have been addressed. Numerical results are evaluated by direct comparison with a standard total-system simultaneous-solution approach.

Guidelines for Computing Longitudinal Dynamic Stability Characteristics of a Subsonic Transport

NASA Technical Reports Server (NTRS)

Thompson, Joseph R.; Frank, Neal T.; Murphy, Patrick C.

2010-01-01

A systematic study is presented to guide the selection of a numerical solution strategy for URANS computation of a subsonic transport configuration undergoing simulated forced oscillation about its pitch axis. Forced oscillation is central to the prevalent wind tunnel methodology for quantifying aircraft dynamic stability derivatives from force and moment coefficients, which is the ultimate goal for the computational simulations. Extensive computations are performed that lead in key insights of the critical numerical parameters affecting solution convergence. A preliminary linear harmonic analysis is included to demonstrate the potential of extracting dynamic stability derivatives from computational solutions.

Water age and stream solute dynamics at the Hubbard Brook Experimental Forest (US)

NASA Astrophysics Data System (ADS)

Botter, Gianluca; Benettin, Paolo; McGuire, Kevin; Rinaldo, Andrea

2016-04-01

The contribution discusses experimental and modeling results from a headwater catchment at the Hubbard Brook Experimental Forest (New Hampshire, USA) to explore the link between stream solute dynamics and water age. A theoretical framework based on water age dynamics, which represents a general basis for characterizing solute transport at the catchment scale, is used to model both conservative and weathering-derived solutes. Based on the available information about the hydrology of the site, an integrated transport model was developed and used to estimate the relevant hydrochemical fluxes. The model was designed to reproduce the deuterium content of streamflow and allowed for the estimate of catchment water storage and dynamic travel time distributions (TTDs). Within this framework, dissolved silicon and sodium concentration in streamflow were simulated by implementing first-order chemical kinetics based explicitly on dynamic TTD, thus upscaling local geochemical processes to catchment scale. Our results highlight the key role of water stored within the subsoil glacial material in both the short-term and long-term solute circulation at Hubbard Brook. The analysis of the results provided by the calibrated model allowed a robust estimate of the emerging concentration-discharge relationship, streamflow age distributions (including the fraction of event water) and storage size, and their evolution in time due to hydrologic variability.

A QM/MM Metadynamics Study of the Direct Decarboxylation Mechanism for Orotidine-5'-monophosphate Decarboxylase using Two Different QM Regions: Acceleration too Small to Explain Rate of Enzyme Catalysis

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

Stanton, Courtney; Kuo, I-F W.; Mundy, Christopher J.

2007-11-01

Despite decades of study, the mechanism of orotidine-5'-monophosphate decarboxylase (ODCase) remains unresolved. A computational investigation of the direct decarboxylation mechanism has been performed using mixed quantum mechanical/molecular mechanical (QM/MM) dynamics simulations. The study was performed with the program CP2K that integrates classical dynamics and ab initio dynamics based on the Born-Oppenheimer approach. Two different QM regions were explored. It was found that the size of the QM region has a dramatic effect on the calculated reaction barrier. The free energy barriers for decarboxylation of orotidine-5'-monophosphate (OMP) in solution and in the enzyme were determined with the metadynamics method to bemore » 40 kcal/mol and 33 kcal/mol, respectively. The calculated change in activation free energy (ΔΔG±) on going from solution to the enzyme is therefore -7 kcal/mol, far less than the experimental change of -23 kcal/mol (for kcat/kuncat Radzicka, A.; Wolfenden, R., Science. 1995, 267, 90-92). These results do not support the direct decarboxylation mechanism in the enzyme. Funding was provided by the University of California Lawrence Livermore National Laboratory (LLNL) and the National Institutes of Health (NIH). Part of this work was performed under the auspices of the U.S. Department of Energy by LLNL under contract No. W-7405-Eng-48. Computer resources were provided by Livermore Computing.« less

Electronic properties of semiconductor-water interfaces: Predictions from ab-initio molecular dynamics and many-body perturbation theory

NASA Astrophysics Data System (ADS)

Pham, Tuan Anh

2015-03-01

Photoelectrochemical cells offer a promising avenue for hydrogen production from water and sunlight. The efficiency of these devices depends on the electronic structure of the interface between the photoelectrode and liquid water, including the alignment between the semiconductor band edges and the water redox potential. In this talk, we will present the results of first principles calculations of semiconductor-water interfaces that are obtained with a combination of density functional theory (DFT)-based molecular dynamics simulations and many-body perturbation theory (MBPT). First, we will discuss the development of an MBPT approach that is aimed at improving the efficiency and accuracy of existing methodologies while still being applicable to complex heterogeneous interfaces consisting of hundreds of atoms. We will then present studies of the electronic structure of liquid water and aqueous solutions using MBPT, which represent an essential step in establishing a quantitative framework for computing the energy alignment at semiconductor-water interfaces. Finally, using a combination of DFT-based molecular dynamics simulations and MBPT, we will describe the relationship between interfacial structure, electronic properties of semiconductors and their reactivity in aqueous solutions through a number of examples, including functionalized Si surfaces and GaP/InP surfaces in contact with liquid water. T.A.P was supported by the U.S. Department of Energy at the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and by the Lawrence Fellowship Program.

Translational, rotational and vibrational relaxation dynamics of a solute molecule in a non-interacting solvent.

PubMed

Grubb, Michael P; Coulter, Philip M; Marroux, Hugo J B; Hornung, Balazs; McMullen, Ryan S; Orr-Ewing, Andrew J; Ashfold, Michael N R

2016-11-01

Spectroscopically observing the translational and rotational motion of solute molecules in liquid solutions is typically impeded by their interactions with the solvent, which conceal spectral detail through linewidth broadening. Here we show that unique insights into solute dynamics can be made with perfluorinated solvents, which interact weakly with solutes and provide a simplified liquid environment that helps to bridge the gap in our understanding of gas- and liquid-phase dynamics. Specifically, we show that in such solvents, the translational and rotational cooling of an energetic CN radical can be observed directly using ultrafast transient absorption spectroscopy. We observe that translational-energy dissipation within these liquids can be modelled through a series of classic collisions, whereas classically simulated rotational-energy dissipation is shown to be distinctly faster than experimentally measured. We also observe the onset of rotational hindering from nearby solvent molecules, which arises as the average rotational energy of the solute falls below the effective barrier to rotation induced by the solvent.

Building cosmological frozen stars

NASA Astrophysics Data System (ADS)

Kastor, David; Traschen, Jennie

2017-02-01

Janis-Newman-Winicour (JNW) solutions generalize Schwarzschild to include a massless scalar field. While they share the familiar infinite redshift feature of Schwarzschild, they suffer from the presence of naked singularities. Cosmological versions of JNW spacetimes were discovered some years ago, in the most general case, by Fonarev. Fonarev solutions are also plagued by naked singularities, but have the virtue, unlike e.g. Schwarzschild-deSitter, of being dynamical. Given that exact dynamical cosmological black hole solutions are scarce, Fonarev solutions merit further study. We show how Fonarev solutions can be obtained via generalized dimensional reduction from simpler static vacuum solutions. These results may lead towards constructions of actual dynamical cosmological black holes. In particular, we note that cosmological versions of extremal charged dilaton black holes are known. JNW spacetimes represent a different limiting case of the family of charged dilaton black holes, which have been important in the context of string theory, and better understanding their cosmological versions of JNW spacetimes thus provides a second data point towards finding cosmological versions of the entire family.

Preventing Run-Time Bugs at Compile-Time Using Advanced C++

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

Neswold, Richard

When writing software, we develop algorithms that tell the computer what to do at run-time. Our solutions are easier to understand and debug when they are properly modeled using class hierarchies, enumerations, and a well-factored API. Unfortunately, even with these design tools, we end up having to debug our programs at run-time. Worse still, debugging an embedded system changes its dynamics, making it tough to find and fix concurrency issues. This paper describes techniques using C++ to detect run-time bugs *at compile time*. A concurrency library, developed at Fermilab, is used for examples in illustrating these techniques.

A systems engineering management approach to resource management applications

NASA Technical Reports Server (NTRS)

Hornstein, Rhoda Shaller

1989-01-01

The author presents a program management response to the following question: How can the traditional practice of systems engineering management, including requirements specification, be adapted, enhanced, or modified to build future planning and scheduling systems for effective operations? The systems engineering management process, as traditionally practiced, is examined. Extensible resource management systems are discussed. It is concluded that extensible systems are a partial solution to problems presented by requirements that are incomplete, partially immeasurable, and often dynamic. There are positive indications that resource management systems have been characterized and modeled sufficiently to allow their implementation as extensible systems.

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.

Automatic design optimization tool for passive structural control systems

NASA Astrophysics Data System (ADS)

Mojolic, Cristian; Hulea, Radu; Parv, Bianca Roxana

2017-07-01

The present paper proposes an automatic dynamic process in order to find the parameters of the seismic isolation systems applied to large span structures. Three seismic isolation solutions are proposed for the model of the new Slatina Sport Hall. The first case uses friction pendulum system (FP), the second one uses High Damping Rubber Bearing (HDRB) and Lead Rubber Bearings, while (LRB) are used for the last case of isolation. The placement of the isolation level is at the top end of the roof supporting columns. The aim is to calculate the parameters of each isolation system so that the whole's structure first vibration periods is the one desired by the user. The model is computed with the use of SAP2000 software. In order to find the best solution for the optimization problem, an optimization process based on Genetic Algorithms (GA) has been developed in Matlab. With the use of the API (Application Programming Interface) libraries a two way link is created between the two programs in order to exchange results and link parameters. The main goal is to find the best seismic isolation method for each desired modal period so that the bending moment on the supporting columns should be minimum.

Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations.

PubMed

Pham, Tuan Anh; Ogitsu, Tadashi; Lau, Edmond Y; Schwegler, Eric

2016-10-21

Establishing an accurate and predictive computational framework for the description of complex aqueous solutions is an ongoing challenge for density functional theory based first-principles molecular dynamics (FPMD) simulations. In this context, important advances have been made in recent years, including the development of sophisticated exchange-correlation functionals. On the other hand, simulations based on simple generalized gradient approximation (GGA) functionals remain an active field, particularly in the study of complex aqueous solutions due to a good balance between the accuracy, computational expense, and the applicability to a wide range of systems. Such simulations are often performed at elevated temperatures to artificially "correct" for GGA inaccuracies in the description of liquid water; however, a detailed understanding of how the choice of temperature affects the structure and dynamics of other components, such as solvated ions, is largely unknown. To address this question, we carried out a series of FPMD simulations at temperatures ranging from 300 to 460 K for liquid water and three representative aqueous solutions containing solvated Na + , K + , and Cl - ions. We show that simulations at 390-400 K with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional yield water structure and dynamics in good agreement with experiments at ambient conditions. Simultaneously, this computational setup provides ion solvation structures and ion effects on water dynamics consistent with experiments. Our results suggest that an elevated temperature around 390-400 K with the PBE functional can be used for the description of structural and dynamical properties of liquid water and complex solutions with solvated ions at ambient conditions.

Recent developments in chaotic dynamics

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

Ott, E.

1994-02-01

Before the relatively recent wide acceptance of the existence of chaotic dynamics, many physicists and engineers were under the impression that simple systems could necessarily only display simple solutions. This feeling had been unintentionally reinforced by conventional college courses which emphasize linear dynamics (partly because that is the only case with nice general solutions). More recently, physical experiments and numerical examples have abundantly demonstrated how wrong this feeling is. A brief review of chaotic dynamics is presented. Topics discussed include basic concepts, recent developments, and applications.

Physiotherapists supporting self-management through health coaching: a mixed methods program evaluation.

PubMed

Dufour, Sinéad Patricia; Graham, Shane; Friesen, Josh; Rosenblat, Michael; Rous, Colin; Richardson, Julie

2015-01-01

To evaluate a program in support of chronic disease self-management (CDSM) that is founded on a health coaching (HC) approach, includes supervised exercise and mindfulness-based stress reduction components and is delivered within a private practice physiotherapy setting. An explanatory mixed method design, framed by theory-based program evaluation, was employed to evaluate an eight-week group-based program. Standardized self-rated and performance measures were evaluated pre- and post intervention. Additionally, participant focus groups were conducted following the intervention period. An inductive thematic approach was undertaken to analyze the qualitative data. Seventeen participants (N = 17) completed the study. Improvements were seen in both self-report and performance outcomes. Participants explained how and why they felt the program was beneficial. Six themes were generated: (1) group dynamic; (2) learning versus doing; (3) holism and comprehensive care; (4) self-efficacy and empowerment; (5) previous solutions versus new management strategies; and (6) healthcare provider support. This study established that a group program in support of CDSM founded on a HC approach demonstrated potential value from participants as well as favorable outcomes. A pragmatic randomized control trial is required to determine efficacy of this intervention.

Solving multistage stochastic programming models of portfolio selection with outstanding liabilities

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

Edirisinghe, C.

1994-12-31

Models for portfolio selection in the presence of an outstanding liability have received significant attention, for example, models for pricing options. The problem may be described briefly as follows: given a set of risky securities (and a riskless security such as a bond), and given a set of cash flows, i.e., outstanding liability, to be met at some future date, determine an initial portfolio and a dynamic trading strategy for the underlying securities such that the initial cost of the portfolio is within a prescribed wealth level and the expected cash surpluses arising from trading is maximized. While the tradingmore » strategy should be self-financing, there may also be other restrictions such as leverage and short-sale constraints. Usually the treatment is limited to binomial evolution of uncertainty (of stock price), with possible extensions for developing computational bounds for multinomial generalizations. Posing as stochastic programming models of decision making, we investigate alternative efficient solution procedures under continuous evolution of uncertainty, for discrete time economies. We point out an important moment problem arising in the portfolio selection problem, the solution (or bounds) on which provides the basis for developing efficient computational algorithms. While the underlying stochastic program may be computationally tedious even for a modest number of trading opportunities (i.e., time periods), the derived algorithms may used to solve problems whose sizes are beyond those considered within stochastic optimization.« less

Protein folding, protein structure and the origin of life: Theoretical methods and solutions of dynamical problems

NASA Technical Reports Server (NTRS)

Weaver, D. L.

1982-01-01

Theoretical methods and solutions of the dynamics of protein folding, protein aggregation, protein structure, and the origin of life are discussed. The elements of a dynamic model representing the initial stages of protein folding are presented. The calculation and experimental determination of the model parameters are discussed. The use of computer simulation for modeling protein folding is considered.

Interactions of localized wave structures and dynamics in the defocusing coupled nonlinear Schrödinger equations.

PubMed

Zhang, Guoqiang; Yan, Zhenya; Wen, Xiao-Yong; Chen, Yong

2017-04-01

We investigate the defocusing coupled nonlinear Schrödinger equations from a 3×3 Lax pair. The Darboux transformations with the nonzero plane-wave solutions are presented to derive the newly localized wave solutions including dark-dark and bright-dark solitons, breather-breather solutions, and different types of new vector rogue wave solutions, as well as interactions between distinct types of localized wave solutions. Moreover, we analyze these solutions by means of parameters modulation. Finally, the perturbed wave propagations of some obtained solutions are explored by means of systematic simulations, which demonstrates that nearly stable and strongly unstable solutions. Our research results could constitute a significant contribution to explore the distinct nonlinear waves (e.g., dark solitons, breather solutions, and rogue wave solutions) dynamics of the coupled system in related fields such as nonlinear optics, plasma physics, oceanography, and Bose-Einstein condensates.

Multiobjective optimization in structural design with uncertain parameters and stochastic processes

NASA Technical Reports Server (NTRS)

Rao, S. S.

1984-01-01

The application of multiobjective optimization techniques to structural design problems involving uncertain parameters and random processes is studied. The design of a cantilever beam with a tip mass subjected to a stochastic base excitation is considered for illustration. Several of the problem parameters are assumed to be random variables and the structural mass, fatigue damage, and negative of natural frequency of vibration are considered for minimization. The solution of this three-criteria design problem is found by using global criterion, utility function, game theory, goal programming, goal attainment, bounded objective function, and lexicographic methods. It is observed that the game theory approach is superior in finding a better optimum solution, assuming the proper balance of the various objective functions. The procedures used in the present investigation are expected to be useful in the design of general dynamic systems involving uncertain parameters, stochastic process, and multiple objectives.

A theoretical study of mixing downstream of transverse injection into a supersonic boundary layer

NASA Technical Reports Server (NTRS)

Baker, A. J.; Zelazny, S. W.

1972-01-01

A theoretical and analytical study was made of mixing downstream of transverse hydrogen injection, from single and multiple orifices, into a Mach 4 air boundary layer over a flat plate. Numerical solutions to the governing three-dimensional, elliptic boundary layer equations were obtained using a general purpose computer program. Founded upon a finite element solution algorithm. A prototype three-dimensional turbulent transport model was developed using mixing length theory in the wall region and the mass defect concept in the outer region. Excellent agreement between the computed flow field and experimental data for a jet/freestream dynamic pressure ratio of unity was obtained in the centerplane region of the single-jet configuration. Poorer agreement off centerplane suggests an inadequacy of the extrapolated two-dimensional turbulence model. Considerable improvement in off-centerplane computational agreement occured for a multi-jet configuration, using the same turbulent transport model.

Optimal execution in high-frequency trading with Bayesian learning

NASA Astrophysics Data System (ADS)

Du, Bian; Zhu, Hongliang; Zhao, Jingdong

2016-11-01

We consider optimal trading strategies in which traders submit bid and ask quotes to maximize the expected quadratic utility of total terminal wealth in a limit order book. The trader's bid and ask quotes will be changed by the Poisson arrival of market orders. Meanwhile, the trader may update his estimate of other traders' target sizes and directions by Bayesian learning. The solution of optimal execution in the limit order book is a two-step procedure. First, we model an inactive trading with no limit order in the market. The dealer simply holds dollars and shares of stocks until terminal time. Second, he calibrates his bid and ask quotes to the limit order book. The optimal solutions are given by dynamic programming and in fact they are globally optimal. We also give numerical simulation to the value function and optimal quotes at the last part of the article.

The Use of Non-Standard Devices in Finite Element Analysis

NASA Technical Reports Server (NTRS)

Schur, Willi W.; Broduer, Steve (Technical Monitor)

2001-01-01

A general mathematical description of the response behavior of thin-skin pneumatic envelopes and many other membrane and cable structures produces under-constrained systems that pose severe difficulties to analysis. These systems are mobile, and the general mathematical description exposes the mobility. Yet the response behavior of special under-constrained structures under special loadings can be accurately predicted using a constrained mathematical description. The static response behavior of systems that are infinitesimally mobile, such as a non-slack membrane subtended from a rigid or elastic boundary frame, can be easily analyzed using such general mathematical description as afforded by the non-linear, finite element method using an implicit solution scheme if the incremental uploading is guided through a suitable path. Similarly, if such structures are assembled with structural lack of fit that provides suitable self-stress, then dynamic response behavior can be predicted by the non-linear, finite element method and an implicit solution scheme. An explicit solution scheme is available for evolution problems. Such scheme can be used via the method of dynamic relaxation to obtain the solution to a static problem. In some sense, pneumatic envelopes and many other compliant structures can be said to have destiny under a specified loading system. What that means to the analyst is that what happens on the evolution path of the solution is irrelevant as long as equilibrium is achieved at destiny under full load and that the equilibrium is stable in the vicinity of that load. The purpose of this paper is to alert practitioners to the fact that non-standard procedures in finite element analysis are useful and can be legitimate although they burden their users with the requirement to use special caution. Some interesting findings that are useful to the US Scientific Balloon Program and that could not be obtained without non-standard techniques are presented.

Single polymer dynamics in semi-dilute unentangled and entangled solutions: from molecular conformation to normal stress

NASA Astrophysics Data System (ADS)

Schroeder, Charles

Semi-dilute polymer solutions are encountered in a wide array of applications such as advanced 3D printing technologies. Semi-dilute solutions are characterized by large fluctuations in concentration, such that hydrodynamic interactions, excluded volume interactions, and transient chain entanglements may be important, which greatly complicates analytical modeling and theoretical treatment. Despite recent progress, we still lack a complete molecular-level understanding of polymer dynamics in these systems. In this talk, I will discuss three recent projects in my group to study semi-dilute solutions that focus on single molecule studies of linear and ring polymers and a new method to measure normal stresses in microfluidic devices based on the Stokes trap. In the first effort, we use single polymer techniques to investigate the dynamics of semi-dilute unentangled and semi-dilute entangled DNA solutions in extensional flow, including polymer relaxation from high stretch, transient stretching dynamics in step-strain experiments, and steady-state stretching in flow. In the semi-dilute unentangled regime, our results show a power-law scaling of the longest polymer relaxation time that is consistent with scaling arguments based on the double cross-over regime. Upon increasing concentration, we observe a transition region in dynamics to the entangled regime. We also studied the transient and steady-state stretching dynamics in extensional flow using the Stokes trap, and our results show a decrease in transient polymer stretch and a milder coil-to-stretch transition for semi-dilute polymer solutions compared to dilute solutions, which is interpreted in the context of a critical Weissenberg number Wi at the coil-to-stretch transition. Interestingly, we observe a unique set of polymer conformations in semi-dilute unentangled solutions that are highly suggestive of transient topological entanglements in solutions that are nominally unentangled at equilibrium. Taken together, these results suggest that the transient stretching pathways in semi-dilute solution extensional flows are qualitatively different than for both dilute solutions and for semi-dilute solutions in shear flow. In a second effort, we studied the dynamics of ring polymers in background solutions of semi-dilute linear polymers. Interestingly, we observe strikingly large fluctuations in steady-state polymer extension for ring polymers in flow, which occurs due to the interplay between polymer topology and concentration leading to chain `threading' in flow. In a third effort, we developed a new microfluidic method to measure normal stress and extensional viscosity that can be loosely described as passive yet non-linear microrheology. In particular, we incorporated 3-D particle imaging velocimetry (PIV) with the Stokes trap to study extensional flow-induced particle migration in semi-dilute polymer solutions. Experimental results are analyzed using the framework of a second-order-fluid model, which allows for measurement of normal stress and extensional viscosity in semi-dilute polymer solutions, all of which is a first-of-its-kind demonstration. Microfluidic measurements of extensional viscosity are directly compared to the dripping-onto-substrate or DOS method, and good agreement is generally observed. Overall, our work aims to provide a molecular-level understanding of the role of polymer topology and concentration on bulk rheological properties by using single polymer techniques.

A reduced-order model for compressible flows with buffeting condition using higher order dynamic mode decomposition with a mode selection criterion

NASA Astrophysics Data System (ADS)

Kou, Jiaqing; Le Clainche, Soledad; Zhang, Weiwei

2018-01-01

This study proposes an improvement in the performance of reduced-order models (ROMs) based on dynamic mode decomposition to model the flow dynamics of the attractor from a transient solution. By combining higher order dynamic mode decomposition (HODMD) with an efficient mode selection criterion, the HODMD with criterion (HODMDc) ROM is able to identify dominant flow patterns with high accuracy. This helps us to develop a more parsimonious ROM structure, allowing better predictions of the attractor dynamics. The method is tested in the solution of a NACA0012 airfoil buffeting in a transonic flow, and its good performance in both the reconstruction of the original solution and the prediction of the permanent dynamics is shown. In addition, the robustness of the method has been successfully tested using different types of parameters, indicating that the proposed ROM approach is a tool promising for using in both numerical simulations and experimental data.

Communication: Relationship between solute localization and diffusion in a dynamically constrained polymer system

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

Saylor, David M.; Jawahery, Sudi; Silverstein, Joshua S.

2016-07-21

We investigate the link between dynamic localization, characterized by the Debye–Waller factor, 〈u{sup 2}〉, and solute self-diffusivity, D, in a polymer system using atomistic molecular dynamics simulations and vapor sorption experiments. We find a linear relationship between lnD and 1/〈u{sup 2}〉 over more than four decades of D, encompassing most of the glass formation regime. The observed linearity is consistent with the Langevin dynamics in a periodically varying potential field and may offer a means to rapidly assess diffusion based on the characterization of dynamic localization.

Species tree inference by minimizing deep coalescences.

PubMed

Than, Cuong; Nakhleh, Luay

2009-09-01

In a 1997 seminal paper, W. Maddison proposed minimizing deep coalescences, or MDC, as an optimization criterion for inferring the species tree from a set of incongruent gene trees, assuming the incongruence is exclusively due to lineage sorting. In a subsequent paper, Maddison and Knowles provided and implemented a search heuristic for optimizing the MDC criterion, given a set of gene trees. However, the heuristic is not guaranteed to compute optimal solutions, and its hill-climbing search makes it slow in practice. In this paper, we provide two exact solutions to the problem of inferring the species tree from a set of gene trees under the MDC criterion. In other words, our solutions are guaranteed to find the tree that minimizes the total number of deep coalescences from a set of gene trees. One solution is based on a novel integer linear programming (ILP) formulation, and another is based on a simple dynamic programming (DP) approach. Powerful ILP solvers, such as CPLEX, make the first solution appealing, particularly for very large-scale instances of the problem, whereas the DP-based solution eliminates dependence on proprietary tools, and its simplicity makes it easy to integrate with other genomic events that may cause gene tree incongruence. Using the exact solutions, we analyze a data set of 106 loci from eight yeast species, a data set of 268 loci from eight Apicomplexan species, and several simulated data sets. We show that the MDC criterion provides very accurate estimates of the species tree topologies, and that our solutions are very fast, thus allowing for the accurate analysis of genome-scale data sets. Further, the efficiency of the solutions allow for quick exploration of sub-optimal solutions, which is important for a parsimony-based criterion such as MDC, as we show. We show that searching for the species tree in the compatibility graph of the clusters induced by the gene trees may be sufficient in practice, a finding that helps ameliorate the computational requirements of optimization solutions. Further, we study the statistical consistency and convergence rate of the MDC criterion, as well as its optimality in inferring the species tree. Finally, we show how our solutions can be used to identify potential horizontal gene transfer events that may have caused some of the incongruence in the data, thus augmenting Maddison's original framework. We have implemented our solutions in the PhyloNet software package, which is freely available at: http://bioinfo.cs.rice.edu/phylonet.

Natural extension of fast-slow decomposition for dynamical systems

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Dynamic nuclear polarization methods in solids and solutions to explore membrane proteins and membrane systems.

PubMed

Cheng, Chi-Yuan; Han, Songi

2013-01-01

Membrane proteins regulate vital cellular processes, including signaling, ion transport, and vesicular trafficking. Obtaining experimental access to their structures, conformational fluctuations, orientations, locations, and hydration in membrane environments, as well as the lipid membrane properties, is critical to understanding their functions. Dynamic nuclear polarization (DNP) of frozen solids can dramatically boost the sensitivity of current solid-state nuclear magnetic resonance tools to enhance access to membrane protein structures in native membrane environments. Overhauser DNP in the solution state can map out the local and site-specific hydration dynamics landscape of membrane proteins and lipid membranes, critically complementing the structural and dynamics information obtained by electron paramagnetic resonance spectroscopy. Here, we provide an overview of how DNP methods in solids and solutions can significantly increase our understanding of membrane protein structures, dynamics, functions, and hydration in complex biological membrane environments.

An Analytical Study of Prostate-Specific Antigen Dynamics.

PubMed

Esteban, Ernesto P; Deliz, Giovanni; Rivera-Rodriguez, Jaileen; Laureano, Stephanie M

2016-01-01

The purpose of this research is to carry out a quantitative study of prostate-specific antigen dynamics for patients with prostatic diseases, such as benign prostatic hyperplasia (BPH) and localized prostate cancer (LPC). The proposed PSA mathematical model was implemented using clinical data of 218 Japanese patients with histological proven BPH and 147 Japanese patients with LPC (stages T2a and T2b). For prostatic diseases (BPH and LPC) a nonlinear equation was obtained and solved in a close form to predict PSA progression with patients' age. The general solution describes PSA dynamics for patients with both diseases LPC and BPH. Particular solutions allow studying PSA dynamics for patients with BPH or LPC. Analytical solutions have been obtained and solved in a close form to develop nomograms for a better understanding of PSA dynamics in patients with BPH and LPC. This study may be useful to improve the diagnostic and prognosis of prostatic diseases.

Hydrated Electron Transfer to Nucleobases in Aqueous Solutions Revealed by Ab Initio Molecular Dynamics Simulations.

PubMed

Zhao, Jing; Wang, Mei; Fu, Aiyun; Yang, Hongfang; Bu, Yuxiang

2015-08-03

We present an ab initio molecular dynamics (AIMD) simulation study into the transfer dynamics of an excess electron from its cavity-shaped hydrated electron state to a hydrated nucleobase (NB)-bound state. In contrast to the traditional view that electron localization at NBs (G/A/C/T), which is the first step for electron-induced DNA damage, is related only to dry or prehydrated electrons, and a fully hydrated electron no longer transfers to NBs, our AIMD simulations indicate that a fully hydrated electron can still transfer to NBs. We monitored the transfer dynamics of fully hydrated electrons towards hydrated NBs in aqueous solutions by using AIMD simulations and found that due to solution-structure fluctuation and attraction of NBs, a fully hydrated electron can transfer to a NB gradually over time. Concurrently, the hydrated electron cavity gradually reorganizes, distorts, and even breaks. The transfer could be completed in about 120-200 fs in four aqueous NB solutions, depending on the electron-binding ability of hydrated NBs and the structural fluctuation of the solution. The transferring electron resides in the π*-type lowest unoccupied molecular orbital of the NB, which leads to a hydrated NB anion. Clearly, the observed transfer of hydrated electrons can be attributed to the strong electron-binding ability of hydrated NBs over the hydrated electron cavity, which is the driving force, and the transfer dynamics is structure-fluctuation controlled. This work provides new insights into the evolution dynamics of hydrated electrons and provides some helpful information for understanding the DNA-damage mechanism in solution. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Solution-Phase Dynamic Assembly of Permanently Interlocked Aryleneethynylene Cages through Alkyne Metathesis

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

Wang, Qi; Yu, Chao; Long, Hai

2015-05-08

Highly stable permanently interlocked aryleneethynylene molecular cages were synthesized from simple triyne monomers using dynamic alkyne metathesis. The interlocked complexes are predominantly formed in the reaction solution in the absence of any recognition motif and were isolated in a pure form using column chromatography. This study is the first example of the thermodynamically controlled solution-phase synthesis of interlocked organic cages with high stability.

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.

A neural network based implementation of an MPC algorithm applied in the control systems of electromechanical plants

NASA Astrophysics Data System (ADS)

Marusak, Piotr M.; Kuntanapreeda, Suwat

2018-01-01

The paper considers application of a neural network based implementation of a model predictive control (MPC) control algorithm to electromechanical plants. Properties of such control plants implicate that a relatively short sampling time should be used. However, in such a case, finding the control value numerically may be too time-consuming. Therefore, the current paper tests the solution based on transforming the MPC optimization problem into a set of differential equations whose solution is the same as that of the original optimization problem. This set of differential equations can be interpreted as a dynamic neural network. In such an approach, the constraints can be introduced into the optimization problem with relative ease. Moreover, the solution of the optimization problem can be obtained faster than when the standard numerical quadratic programming routine is used. However, a very careful tuning of the algorithm is needed to achieve this. A DC motor and an electrohydraulic actuator are taken as illustrative examples. The feasibility and effectiveness of the proposed approach are demonstrated through numerical simulations.

Structure and Dynamics of Interacting Nanoparticles in Semidilute Polymer Solutions

DOE PAGES

Pollng-Skutvik, Ryan; Mongcopa, Katrina Irene S.; Faraone, Antonio; ...

2016-08-17

We investigate the structure and dynamics of silica nanoparticles and polymer chains in semidilute solutions of high molecular weight polystyrene in 2-butanone to determine the effect of long-range interparticle interactions on the coupling between particle and polymer dynamics. Particles at concentrations of 1–10 wt % are well dispersed in the semidilute polymer solutions and exhibit long-range electrostatic repulsions between particles. Because the particles are comparably sized to the radius of gyration of the polymer, the particle dynamics is predicted to couple to that of the polymer. We verify that the polymer structure and dynamics are not significantly affected by themore » particles, indicating that the particle–polymer coupling does not change with increasing particle loading. We find that the coupling between the dynamics of comparably sized particles and polymer results in subdiffusive particle dynamics, as expected. Over the interparticle distance, however, the particle dynamics is hindered and not fully described by the relaxation of the surrounding polymer chains. Instead, the particle dynamics is inversely related to the structure factor, suggesting that physical particle–polymer coupling on short length scales and interparticle interactions on long length scales both present energetic barriers to particle motion that lead to subdiffusive dynamics and de Gennes narrowing, respectively.« less

Modeling crystal growth from solution with molecular dynamics simulations: approaches to transition rate constants.

PubMed

Reilly, Anthony M; Briesen, Heiko

2012-01-21

The feasibility of using the molecular dynamics (MD) simulation technique to study crystal growth from solution quantitatively, as well as to obtain transition rate constants, has been studied. The dynamics of an interface between a solution of Lennard-Jones particles and the (100) face of an fcc lattice comprised of solute particles have been studied using MD simulations, showing that MD is, in principle, capable of following growth behavior over large supersaturation and temperature ranges. Using transition state theory, and a nearest-neighbor approximation growth and dissolution rate constants have been extracted from equilibrium MD simulations at a variety of temperatures. The temperature dependence of the rates agrees well with the expected transition state theory behavior. © 2012 American Institute of Physics

Models for the dynamics of dust-like matter in the self-gravity field: The method of hydrodynamic substitutions

NASA Astrophysics Data System (ADS)

Zhuravlev, V. M.

2017-09-01

Models for the dynamics of a dust-like medium in the self-gravity field are investigated. Solutions of the corresponding problems are constructed by the method of hydrodynamic substitutions generalizing the Cole-Hopf substitutions. The method is extended to multidimensional ideal and viscous fluid flows with cylindrical and spherical symmetries for which exact solutions are constructed. Solutions for the dynamics of self-gravitating dust with arbitrary initial distributions of both fluid density and velocity are constructed using special coordinate transformations. In particular, the problem of cosmological expansion is considered in terms of Newton's gravity theory. Models of a one-dimensional viscous dust fluid flow and some problems of gas hydrodynamics are considered. Examples of exact solutions and their brief analysis are provided.

Global cosmological dynamics for the scalar field representation of the modified Chaplygin gas

NASA Astrophysics Data System (ADS)

Uggla, Claes

2013-09-01

In this paper we investigate the global dynamics for the minimally coupled scalar field representation of the modified Chaplygin gas in the context of flat Friedmann-Lemaître-Robertson Walker cosmology. The tool for doing this is a new set of bounded variables that lead to a regular dynamical system. It is shown that the exact modified Chaplygin gas perfect fluid solution appears as a straight line in the associated phase plane. It is also shown that no other solutions stay close to this solution during their entire temporal evolution, but that there exists an open subset of solutions that stay arbitrarily close during an intermediate time interval, and into the future in the case when the scalar field potential exhibits a global minimum.

Voronoi Diagram Based Optimization of Dynamic Reactive Power Sources

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

Huang, Weihong; Sun, Kai; Qi, Junjian

2015-01-01

Dynamic var sources can effectively mitigate fault-induced delayed voltage recovery (FIDVR) issues or even voltage collapse. This paper proposes a new approach to optimization of the sizes of dynamic var sources at candidate locations by a Voronoi diagram based algorithm. It first disperses sample points of potential solutions in a searching space, evaluates a cost function at each point by barycentric interpolation for the subspaces around the point, and then constructs a Voronoi diagram about cost function values over the entire space. Accordingly, the final optimal solution can be obtained. Case studies on the WSCC 9-bus system and NPCC 140-busmore » system have validated that the new approach can quickly identify the boundary of feasible solutions in searching space and converge to the global optimal solution.« 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.

Logistic Principles Application for Managing the Extraction and Transportation of Solid Minerals

NASA Astrophysics Data System (ADS)

Tyurin, Alexey

2017-11-01

Reducing the cost of resources in solid mineral extraction is an urgent task. For its solution the article proposes logistic approach use to management of mining company all resources, including extraction processes, transport, mineral handling and storage. The account of the uneven operation of mining, transport units and complexes for processing and loading coal into railroad cars allows you to identify the shortcomings in the work of the entire enterprise and reduce resources use at the planned production level. In the article the mining planning model taking into account the dynamics of the production, transport stations and export coal to consumers rail transport on example of Krasnoyarsk region Nazarovo JSC «Razrez Sereul'skiy». Rolling planning methods use and data aggregation allows you to split the planning horizon (month) on equal periods and to use of dynamic programming method for building mining optimal production programme for the month. Coal mining production program definition technique will help align the work of all enterprise units, to optimize resources of all areas, to establish a flexible relationship between manufacturer and consumer, to take into account the irregularity of rail transport.

Event-Based Robust Control for Uncertain Nonlinear Systems Using Adaptive Dynamic Programming.

PubMed

Zhang, Qichao; Zhao, Dongbin; Wang, Ding

2018-01-01

In this paper, the robust control problem for a class of continuous-time nonlinear system with unmatched uncertainties is investigated using an event-based control method. First, the robust control problem is transformed into a corresponding optimal control problem with an augmented control and an appropriate cost function. Under the event-based mechanism, we prove that the solution of the optimal control problem can asymptotically stabilize the uncertain system with an adaptive triggering condition. That is, the designed event-based controller is robust to the original uncertain system. Note that the event-based controller is updated only when the triggering condition is satisfied, which can save the communication resources between the plant and the controller. Then, a single network adaptive dynamic programming structure with experience replay technique is constructed to approach the optimal control policies. The stability of the closed-loop system with the event-based control policy and the augmented control policy is analyzed using the Lyapunov approach. Furthermore, we prove that the minimal intersample time is bounded by a nonzero positive constant, which excludes Zeno behavior during the learning process. Finally, two simulation examples are provided to demonstrate the effectiveness of the proposed control scheme.

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.

Nonlinear Earthquake Analysis of Reinforced Concrete Frames with Fiber and Bernoulli-Euler Beam-Column Element

PubMed Central

Karaton, Muhammet

2014-01-01

A beam-column element based on the Euler-Bernoulli beam theory is researched for nonlinear dynamic analysis of reinforced concrete (RC) structural element. Stiffness matrix of this element is obtained by using rigidity method. A solution technique that included nonlinear dynamic substructure procedure is developed for dynamic analyses of RC frames. A predicted-corrected form of the Bossak-α method is applied for dynamic integration scheme. A comparison of experimental data of a RC column element with numerical results, obtained from proposed solution technique, is studied for verification the numerical solutions. Furthermore, nonlinear cyclic analysis results of a portal reinforced concrete frame are achieved for comparing the proposed solution technique with Fibre element, based on flexibility method. However, seismic damage analyses of an 8-story RC frame structure with soft-story are investigated for cases of lumped/distributed mass and load. Damage region, propagation, and intensities according to both approaches are researched. PMID:24578667

Computation in Dynamically Bounded Asymmetric Systems

PubMed Central

Rutishauser, Ueli; Slotine, Jean-Jacques; Douglas, Rodney

2015-01-01

Previous explanations of computations performed by recurrent networks have focused on symmetrically connected saturating neurons and their convergence toward attractors. Here we analyze the behavior of asymmetrical connected networks of linear threshold neurons, whose positive response is unbounded. We show that, for a wide range of parameters, this asymmetry brings interesting and computationally useful dynamical properties. When driven by input, the network explores potential solutions through highly unstable ‘expansion’ dynamics. This expansion is steered and constrained by negative divergence of the dynamics, which ensures that the dimensionality of the solution space continues to reduce until an acceptable solution manifold is reached. Then the system contracts stably on this manifold towards its final solution trajectory. The unstable positive feedback and cross inhibition that underlie expansion and divergence are common motifs in molecular and neuronal networks. Therefore we propose that very simple organizational constraints that combine these motifs can lead to spontaneous computation and so to the spontaneous modification of entropy that is characteristic of living systems. PMID:25617645

User-Assisted Store Recycling for Dynamic Task Graph Schedulers

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

Kurt, Mehmet Can; Krishnamoorthy, Sriram; Agrawal, Gagan

The emergence of the multi-core era has led to increased interest in designing effective yet practical parallel programming models. Models based on task graphs that operate on single-assignment data are attractive in several ways: they can support dynamic applications and precisely represent the available concurrency. However, they also require nuanced algorithms for scheduling and memory management for efficient execution. In this paper, we consider memory-efficient dynamic scheduling of task graphs. Specifically, we present a novel approach for dynamically recycling the memory locations assigned to data items as they are produced by tasks. We develop algorithms to identify memory-efficient store recyclingmore » functions by systematically evaluating the validity of a set of (user-provided or automatically generated) alternatives. Because recycling function can be input data-dependent, we have also developed support for continued correct execution of a task graph in the presence of a potentially incorrect store recycling function. Experimental evaluation demonstrates that our approach to automatic store recycling incurs little to no overheads, achieves memory usage comparable to the best manually derived solutions, often produces recycling functions valid across problem sizes and input parameters, and efficiently recovers from an incorrect choice of store recycling functions.« less

Ion Move Brownian Dynamics (IMBD)--simulations of ion transport.

PubMed

Kurczynska, Monika; Kotulska, Malgorzata

2014-01-01

Comparison of the computed characteristics and physiological measurement of ion transport through transmembrane proteins could be a useful method to assess the quality of protein structures. Simulations of ion transport should be detailed but also timeefficient. The most accurate method could be Molecular Dynamics (MD), which is very time-consuming, hence is not used for this purpose. The model which includes ion-ion interactions and reduces the simulation time by excluding water, protein and lipid molecules is Brownian Dynamics (BD). In this paper a new computer program for BD simulation of the ion transport is presented. We evaluate two methods for calculating the pore accessibility (round and irregular shape) and two representations of ion sizes (van der Waals diameter and one voxel). Ion Move Brownian Dynamics (IMBD) was tested with two nanopores: alpha-hemolysin and potassium channel KcsA. In both cases during the simulation an ion passed through the pore in less than 32 ns. Although two types of ions were in solution (potassium and chloride), only ions which agreed with the selectivity properties of the channels passed through the pores. IMBD is a new tool for the ion transport modelling, which can be used in the simulations of wide and narrow pores.

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.

Robust Control Design via Linear Programming

NASA Technical Reports Server (NTRS)

Keel, L. H.; Bhattacharyya, S. P.

1998-01-01

This paper deals with the problem of synthesizing or designing a feedback controller of fixed dynamic order. The closed loop specifications considered here are given in terms of a target performance vector representing a desired set of closed loop transfer functions connecting various signals. In general these point targets are unattainable with a fixed order controller. By enlarging the target from a fixed point set to an interval set the solvability conditions with a fixed order controller are relaxed and a solution is more easily enabled. Results from the parametric robust control literature can be used to design the interval target family so that the performance deterioration is acceptable, even when plant uncertainty is present. It is shown that it is possible to devise a computationally simple linear programming approach that attempts to meet the desired closed loop specifications.

IN2 Profile: Polyceed Electrochromic Window Technology Expected to Lower Energy Costs

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

Tenent, Rob; Achour, Maha

Through the Wells Fargo Innovation Incubator (IN²) program, Polyceed will validate their electrochromic window technology. The technology is expected to provide customers with 75% lower cost than conventional dynamic windows and offer small residences $200 a year of cost savings for energy consumption. The IN² program launched in October 2014 and is part of Wells Fargo’s 2020 Environmental Commitment to provide $100 million to environmentally-focused nonprofits and universities. The goal is to create an ecosystem that fosters and accelerates the commercialization of promising commercial buildings technologies that can provide scalable solutions to reduce the energy impact of buildings. According tomore » the Department of Energy, nearly 40 percent of energy consumption in the U.S. today comes from buildings at an estimated cost of $413 billion.« less

Hydration Dynamics of Hyaluronan and Dextran

PubMed Central

Hunger, Johannes; Bernecker, Anja; Bakker, Huib J.; Bonn, Mischa; Richter, Ralf P.

2012-01-01

Hyaluronan is a polysaccharide, which is ubiquitous in vertebrates and has been reported to be strongly hydrated in a biological environment. We study the hydration of hyaluronan in solution using the rotational dynamics of water as a probe. We measure these dynamics with polarization-resolved femtosecond-infrared and terahertz time-domain spectroscopies. Both experiments reveal that a subensemble of water molecules is slowed down in aqueous solutions of hyaluronan amounting to ∼15 water molecules per disaccharide unit. This quantity is consistent with what would be expected for the first hydration shell. Comparison of these results to the water dynamics in aqueous dextran solution, a structurally similar polysaccharide, yields remarkably similar results. This suggests that the observed interaction with water is a common feature for hydrophilic polysaccharides and is not specific to hyaluronan. PMID:22828349

FINITE-STATE APPROXIMATIONS TO DENUMERABLE-STATE DYNAMIC PROGRAMS,

DTIC Science & Technology

AIR FORCE OPERATIONS, LOGISTICS), (*INVENTORY CONTROL, DYNAMIC PROGRAMMING), (*DYNAMIC PROGRAMMING, APPROXIMATION(MATHEMATICS)), INVENTORY CONTROL, DECISION MAKING, STOCHASTIC PROCESSES, GAME THEORY, ALGORITHMS, CONVERGENCE

Dynamics of lumps and dark-dark solitons in the multi-component long-wave-short-wave resonance interaction system.

PubMed

Rao, Jiguang; Porsezian, Kuppuswamy; He, Jingsong; Kanna, Thambithurai

2018-01-01

General semi-rational solutions of an integrable multi-component (2+1)-dimensional long-wave-short-wave resonance interaction system comprising multiple short waves and a single long wave are obtained by employing the bilinear method. These solutions describe the interactions between various types of solutions, including line rogue waves, lumps, breathers and dark solitons. We only focus on the dynamical behaviours of the interactions between lumps and dark solitons in this paper. Our detailed study reveals two different types of excitation phenomena: fusion and fission. It is shown that the fundamental (simplest) semi-rational solutions can exhibit fission of a dark soliton into a lump and a dark soliton or fusion of one lump and one dark soliton into a dark soliton. The non-fundamental semi-rational solutions are further classified into three subclasses: higher-order, multi- and mixed-type semi-rational solutions. The higher-order semi-rational solutions show the process of annihilation (production) of two or more lumps into (from) one dark soliton. The multi-semi-rational solutions describe N ( N ≥2) lumps annihilating into or producing from N -dark solitons. The mixed-type semi-rational solutions are a hybrid of higher-order semi-rational solutions and multi-semi-rational solutions. For the mixed-type semi-rational solutions, we demonstrate an interesting dynamical behaviour that is characterized by partial suppression or creation of lumps from the dark solitons.

Dynamics of lumps and dark-dark solitons in the multi-component long-wave-short-wave resonance interaction system

NASA Astrophysics Data System (ADS)

Rao, Jiguang; Porsezian, Kuppuswamy; He, Jingsong; Kanna, Thambithurai

2018-01-01

General semi-rational solutions of an integrable multi-component (2+1)-dimensional long-wave-short-wave resonance interaction system comprising multiple short waves and a single long wave are obtained by employing the bilinear method. These solutions describe the interactions between various types of solutions, including line rogue waves, lumps, breathers and dark solitons. We only focus on the dynamical behaviours of the interactions between lumps and dark solitons in this paper. Our detailed study reveals two different types of excitation phenomena: fusion and fission. It is shown that the fundamental (simplest) semi-rational solutions can exhibit fission of a dark soliton into a lump and a dark soliton or fusion of one lump and one dark soliton into a dark soliton. The non-fundamental semi-rational solutions are further classified into three subclasses: higher-order, multi- and mixed-type semi-rational solutions. The higher-order semi-rational solutions show the process of annihilation (production) of two or more lumps into (from) one dark soliton. The multi-semi-rational solutions describe N(N≥2) lumps annihilating into or producing from N-dark solitons. The mixed-type semi-rational solutions are a hybrid of higher-order semi-rational solutions and multi-semi-rational solutions. For the mixed-type semi-rational solutions, we demonstrate an interesting dynamical behaviour that is characterized by partial suppression or creation of lumps from the dark solitons.

On the analytic and numeric optimisation of airplane trajectories under real atmospheric conditions

NASA Astrophysics Data System (ADS)

Gonzalo, J.; Domínguez, D.; López, D.

2014-12-01

From the beginning of aviation era, economic constraints have forced operators to continuously improve the planning of the flights. The revenue is proportional to the cost per flight and the airspace occupancy. Many methods, the first started in the middle of last century, have explore analytical, numerical and artificial intelligence resources to reach the optimal flight planning. In parallel, advances in meteorology and communications allow an almost real-time knowledge of the atmospheric conditions and a reliable, error-bounded forecast for the near future. Thus, apart from weather risks to be avoided, airplanes can dynamically adapt their trajectories to minimise their costs. International regulators are aware about these capabilities, so it is reasonable to envisage some changes to allow this dynamic planning negotiation to soon become operational. Moreover, current unmanned airplanes, very popular and often small, suffer the impact of winds and other weather conditions in form of dramatic changes in their performance. The present paper reviews analytic and numeric solutions for typical trajectory planning problems. Analytic methods are those trying to solve the problem using the Pontryagin principle, where influence parameters are added to state variables to form a split condition differential equation problem. The system can be solved numerically -indirect optimisation- or using parameterised functions -direct optimisation-. On the other hand, numerical methods are based on Bellman's dynamic programming (or Dijkstra algorithms), where the fact that two optimal trajectories can be concatenated to form a new optimal one if the joint point is demonstrated to belong to the final optimal solution. There is no a-priori conditions for the best method. Traditionally, analytic has been more employed for continuous problems whereas numeric for discrete ones. In the current problem, airplane behaviour is defined by continuous equations, while wind fields are given in a discrete grid at certain time intervals. The research demonstrates advantages and disadvantages of each method as well as performance figures of the solutions found for typical flight conditions under static and dynamic atmospheres. This provides significant parameters to be used in the selection of solvers for optimal trajectories.

The PAWS and STEM reliability analysis programs

NASA Technical Reports Server (NTRS)

Butler, Ricky W.; Stevenson, Philip H.

1988-01-01

The PAWS and STEM programs are new design/validation tools. These programs provide a flexible, user-friendly, language-based interface for the input of Markov models describing the behavior of fault-tolerant computer systems. These programs produce exact solutions of the probability of system failure and provide a conservative estimate of the number of significant digits in the solution. PAWS uses a Pade approximation as a solution technique; STEM uses a Taylor series as a solution technique. Both programs have the capability to solve numerically stiff models. PAWS and STEM possess complementary properties with regard to their input space; and, an additional strength of these programs is that they accept input compatible with the SURE program. If used in conjunction with SURE, PAWS and STEM provide a powerful suite of programs to analyze the reliability of fault-tolerant computer systems.

The structure of aqueous sodium hydroxide solutions: a combined solution x-ray diffraction and simulation study.

PubMed

Megyes, Tünde; Bálint, Szabolcs; Grósz, Tamás; Radnai, Tamás; Bakó, Imre; Sipos, Pál

2008-01-28

To determine the structure of aqueous sodium hydroxide solutions, results obtained from x-ray diffraction and computer simulation (molecular dynamics and Car-Parrinello) have been compared. The capabilities and limitations of the methods in describing the solution structure are discussed. For the solutions studied, diffraction methods were found to perform very well in describing the hydration spheres of the sodium ion and yield structural information on the anion's hydration structure. Classical molecular dynamics simulations were not able to correctly describe the bulk structure of these solutions. However, Car-Parrinello simulation proved to be a suitable tool in the detailed interpretation of the hydration sphere of ions and bulk structure of solutions. The results of Car-Parrinello simulations were compared with the findings of diffraction experiments.

Theoretical investigation of polarization effects in solution: Importance of solvent collective motions

NASA Astrophysics Data System (ADS)

Ishida, Tateki

2015-01-01

Recent theoretical studies on interesting topics related to polarization effects in solutions are presented. As one of interesting topics, ionic liquids (ILs) solvents are focused on. The collective dynamics of electronic polarizability through interionic dynamics and the effect of polarization in ILs, 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF6]), are studied with molecular dynamics simulation. Also, the time-dependent polarization effect on the probe betaine dye molecule, pyridinium N-phenoxide, in water is investigated by a time-dependent reference interaction site model self-consistent field (time-dependent RISM-SCF) approach. The importance of considering polarization effects on solution systems related to solvent collective motions is shown.

Ethical and regulatory challenges of research using pervasive sensing and other emerging technologies: IRB perspectives.

PubMed

Nebeker, Camille; Harlow, John; Espinoza Giacinto, Rebeca; Orozco-Linares, Rubi; Bloss, Cinnamon S; Weibel, Nadir

2017-01-01

Vast quantities of personal health information and private identifiable information are being created through mobile apps, wearable sensors, and social networks. While new strategies and tools for obtaining health data have expanded researchers' abilities to design and test personalized and adaptive health interventions, the deployment of pervasive sensing and computational techniques to gather research data is raising ethical challenges for Institutional Review Boards (IRBs) charged with protecting research participants. To explore experiences with, and perceptions about, technology-enabled research, and identify solutions for promoting responsible conduct of this research we conducted focus groups with human research protection program and IRB affiliates. Our findings outline the need for increased collaboration across stakeholders in terms of: (1) shared and dynamic resources that improve awareness of technologies and decrease potential threats to participant privacy and data confidentiality, and (2) development of appropriate and dynamic standards through collaboration with stakeholders in the research ethics community.

Applied Computational Fluid Dynamics at NASA Ames Research Center

NASA Technical Reports Server (NTRS)

Holst, Terry L.; Kwak, Dochan (Technical Monitor)

1994-01-01

The field of Computational Fluid Dynamics (CFD) has advanced to the point where it can now be used for many applications in fluid mechanics research and aerospace vehicle design. A few applications being explored at NASA Ames Research Center will be presented and discussed. The examples presented will range in speed from hypersonic to low speed incompressible flow applications. Most of the results will be from numerical solutions of the Navier-Stokes or Euler equations in three space dimensions for general geometry applications. Computational results will be used to highlight the presentation as appropriate. Advances in computational facilities including those associated with NASA's CAS (Computational Aerosciences) Project of the Federal HPCC (High Performance Computing and Communications) Program will be discussed. Finally, opportunities for future research will be presented and discussed. All material will be taken from non-sensitive, previously-published and widely-disseminated work.

Dislocation dynamics in non-convex domains using finite elements with embedded discontinuities

NASA Astrophysics Data System (ADS)

Romero, Ignacio; Segurado, Javier; LLorca, Javier

2008-04-01

The standard strategy developed by Van der Giessen and Needleman (1995 Modelling Simul. Mater. Sci. Eng. 3 689) to simulate dislocation dynamics in two-dimensional finite domains was modified to account for the effect of dislocations leaving the crystal through a free surface in the case of arbitrary non-convex domains. The new approach incorporates the displacement jumps across the slip segments of the dislocations that have exited the crystal within the finite element analysis carried out to compute the image stresses on the dislocations due to the finite boundaries. This is done in a simple computationally efficient way by embedding the discontinuities in the finite element solution, a strategy often used in the numerical simulation of crack propagation in solids. Two academic examples are presented to validate and demonstrate the extended model and its implementation within a finite element program is detailed in the appendix.

Probabilistic DHP adaptive critic for nonlinear stochastic control systems.

PubMed

Herzallah, Randa

2013-06-01

Following the recently developed algorithms for fully probabilistic control design for general dynamic stochastic systems (Herzallah & Káarnáy, 2011; Kárný, 1996), this paper presents the solution to the probabilistic dual heuristic programming (DHP) adaptive critic method (Herzallah & Káarnáy, 2011) and randomized control algorithm for stochastic nonlinear dynamical systems. The purpose of the randomized control input design is to make the joint probability density function of the closed loop system as close as possible to a predetermined ideal joint probability density function. This paper completes the previous work (Herzallah & Káarnáy, 2011; Kárný, 1996) by formulating and solving the fully probabilistic control design problem on the more general case of nonlinear stochastic discrete time systems. A simulated example is used to demonstrate the use of the algorithm and encouraging results have been obtained. Copyright © 2013 Elsevier Ltd. All rights reserved.

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.

A new procedure for dynamic adaption of three-dimensional unstructured grids

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Strawn, Roger

1993-01-01

A new procedure is presented for the simultaneous coarsening and refinement of three-dimensional unstructured tetrahedral meshes. This algorithm allows for localized grid adaption that is used to capture aerodynamic flow features such as vortices and shock waves in helicopter flowfield simulations. The mesh-adaption algorithm is implemented in the C programming language and uses a data structure consisting of a series of dynamically-allocated linked lists. These lists allow the mesh connectivity to be rapidly reconstructed when individual mesh points are added and/or deleted. The algorithm allows the mesh to change in an anisotropic manner in order to efficiently resolve directional flow features. The procedure has been successfully implemented on a single processor of a Cray Y-MP computer. Two sample cases are presented involving three-dimensional transonic flow. Computed results show good agreement with conventional structured-grid solutions for the Euler equations.

A one-layer recurrent neural network for constrained pseudoconvex optimization and its application for dynamic portfolio optimization.

PubMed

Liu, Qingshan; Guo, Zhishan; Wang, Jun

2012-02-01

In this paper, a one-layer recurrent neural network is proposed for solving pseudoconvex optimization problems subject to linear equality and bound constraints. Compared with the existing neural networks for optimization (e.g., the projection neural networks), the proposed neural network is capable of solving more general pseudoconvex optimization problems with equality and bound constraints. Moreover, it is capable of solving constrained fractional programming problems as a special case. The convergence of the state variables of the proposed neural network to achieve solution optimality is guaranteed as long as the designed parameters in the model are larger than the derived lower bounds. Numerical examples with simulation results illustrate the effectiveness and characteristics of the proposed neural network. In addition, an application for dynamic portfolio optimization is discussed. Copyright © 2011 Elsevier Ltd. All rights reserved.