Low-dimensional modelling of a transient cylinder wake using double proper orthogonal decomposition

NASA Astrophysics Data System (ADS)

Siegel, Stefan G.; Seidel, J.?Rgen; Fagley, Casey; Luchtenburg, D. M.; Cohen, Kelly; McLaughlin, Thomas

For the systematic development of feedback flow controllers, a numerical model that captures the dynamic behaviour of the flow field to be controlled is required. This poses a particular challenge for flow fields where the dynamic behaviour is nonlinear, and the governing equations cannot easily be solved in closed form. This has led to many versions of low-dimensional modelling techniques, which we extend in this work to represent better the impact of actuation on the flow. For the benchmark problem of a circular cylinder wake in the laminar regime, we introduce a novel extension to the proper orthogonal decomposition (POD) procedure that facilitates mode construction from transient data sets. We demonstrate the performance of this new decomposition by applying it to a data set from the development of the limit cycle oscillation of a circular cylinder wake simulation as well as an ensemble of transient forced simulation results. The modes obtained from this decomposition, which we refer to as the double POD (DPOD) method, correctly track the changes of the spatial modes both during the evolution of the limit cycle and when forcing is applied by transverse translation of the cylinder. The mode amplitudes, which are obtained by projecting the original data sets onto the truncated DPOD modes, can be used to construct a dynamic mathematical model of the wake that accurately predicts the wake flow dynamics within the lock-in region at low forcing amplitudes. This low-dimensional model, derived using nonlinear artificial neural network based system identification methods, is robust and accurate and can be used to simulate the dynamic behaviour of the wake flow. We demonstrate this ability not just for unforced and open-loop forced data, but also for a feedback-controlled simulation that leads to a 90% reduction in lift fluctuations. This indicates the possibility of constructing accurate dynamic low-dimensional models for feedback control by using unforced and transient forced data only.

Searching for protein binding sites from Molecular Dynamics simulations and paramagnetic fragment-based NMR studies.

PubMed

Bernini, Andrea; Henrici De Angelis, Lucia; Morandi, Edoardo; Spiga, Ottavia; Santucci, Annalisa; Assfalg, Michael; Molinari, Henriette; Pillozzi, Serena; Arcangeli, Annarosa; Niccolai, Neri

2014-03-01

Hotspot delineation on protein surfaces represents a fundamental step for targeting protein-protein interfaces. Disruptors of protein-protein interactions can be designed provided that the sterical features of binding pockets, including the transient ones, can be defined. Molecular Dynamics, MD, simulations have been used as a reliable framework for identifying transient pocket openings on the protein surface. Accessible surface area and intramolecular H-bond involvement of protein backbone amides are proposed as descriptors for characterizing binding pocket occurrence and evolution along MD trajectories. TEMPOL induced paramagnetic perturbations on (1)H-(15)N HSQC signals of protein backbone amides have been analyzed as a fragment-based search for surface hotspots, in order to validate MD predicted pockets. This procedure has been applied to CXCL12, a small chemokine responsible for tumor progression and proliferation. From combined analysis of MD data and paramagnetic profiles, two CXCL12 sites suitable for the binding of small molecules were identified. One of these sites is the already well characterized CXCL12 region involved in the binding to CXCR4 receptor. The other one is a transient pocket predicted by Molecular Dynamics simulations, which could not be observed from static analysis of CXCL12 PDB structures. The present results indicate how TEMPOL, instrumental in identifying this transient pocket, can be a powerful tool to delineate minor conformations which can be highly relevant in dynamic discovery of antitumoral drugs. Copyright © 2013 Elsevier B.V. All rights reserved.

Numerical study of vortex rope during load rejection of a prototype pump-turbine

NASA Astrophysics Data System (ADS)

Liu, J. T.; Liu, S. H.; Sun, Y. K.; Wu, Y. L.; Wang, L. Q.

2012-11-01

A transient process of load rejection of a prototype pump-turbine was studied by three dimensional, unsteady simulations, as well as steady calculations.Dynamic mesh (DM) method and remeshing method were used to simulate the rotation of guide vanes and runner. The rotational speed of the runner was predicted by fluid couplingmethod. Both the transient calculation and steady calculation were performed based on turbulence model. Results show that steady calculation results have large error in the prediction of the external characteristics of the transient process. The runaway speed can reach 1.15 times the initial rotational speed during the transient process. The vortex rope occurs before the pump-turbine runs at zero moment point. Vortex rope has the same rotating direction with the runner. The vortex rope is separated into two parts as the flow rate decreases to 0. Pressure level decreases during the whole transient process.The transient simulation result were also compared and verified by experimental results. This computational method could be used in the fault diagnosis of transient operation, as well as the optimization of a transient process.

Simulation of X-ray transient absorption for following vibrations in coherently ionized F2 molecules

NASA Astrophysics Data System (ADS)

Dutoi, Anthony D.; Leone, Stephen R.

2017-01-01

Femtosecond and attosecond X-ray transient absorption experiments are becoming increasingly sophisticated tools for probing nuclear dynamics. In this work, we explore and develop theoretical tools needed for interpretation of such spectra,in order to characterize the vibrational coherences that result from ionizing a molecule in a strong IR field. Ab initio data for F2 is combined with simulations of nuclear dynamics, in order to simulate time-resolved X-ray absorption spectra for vibrational wavepackets after coherent ionization at 0 K and at finite temperature. Dihalogens pose rather difficult electronic structure problems, and the issues encountered in this work will be reflective of those encountered with any core-valence excitation simulation when a bond is breaking. The simulations reveal a strong dependence of the X-ray absorption maximum on the locations of the vibrational wave packets. A Fourier transform of the simulated signal shows features at the overtone frequencies of both the neutral and the cation, which reflect spatial interferences of the vibrational eigenstates. This provides a direct path for implementing ultrafast X-ray spectroscopic methods to visualize coherent nuclear dynamics.

Atomistic observation and simulation analysis of spatio-temporal fluctuations during radiation-induced amorphization.

PubMed

Watanabe, Seiichi; Hoshino, Misaki; Koike, Takuto; Suda, Takanori; Ohnuki, Soumei; Takahashi, Heishichirou; Lam, Nighi Q

2003-01-01

We performed a dynamical-atomistic study of radiation-induced amorphization in the NiTi intermetallic compound using in situ high-resolution high-voltage electron microscopy and molecular dynamics simulations in connection with image simulation. Spatio-temporal fluctuations as non-equilibrium fluctuations in an energy-dissipative system, due to transient atom-cluster formation during amorphization, were revealed by the present spatial autocorrelation analysis.

Transient behavior of redox flow battery connected to circuit based on global phase structure

NASA Astrophysics Data System (ADS)

Mannari, Toko; Hikihara, Takashi

A Redox Flow Battery (RFB) is one of the promising energy storage systems in power grid. An RFB has many advantages such as a quick response, a large capacity, and a scalability. Due to these advantages, an RFB can operate in mixed time scale. Actually, it has been demonstrated that an RFB can be used for load leveling, compensating sag, and smoothing the output of the renewable sources. An analysis on transient behaviors of an RFB is a key issue for these applications. An RFB is governed by electrical, chemical, and fluid dynamics. The hybrid structure makes the analysis difficult. To analyze transient behaviors of an RFB, the exact model is necessary. In this paper, we focus on a change in a concentration of ions in the electrolyte, and simulate the change with a model which is mainly based on chemical kinetics. The simulation results introduces transient behaviors of an RFB in a response to a load variation. There are found three kinds of typical transient behaviors including oscillations. As results, it is clarified that the complex transient behaviors, due to slow and fast dynamics in the system, arise by the quick response to load.

Transient Dynamics Simulation of Airflow in a CT-Scanned Human Airway Tree: More or Fewer Terminal Bronchi?

PubMed Central

Zhang, Baihua; Li, Jianhua; Yue, Yong; Qian, Wei

2017-01-01

Using computational fluid dynamics (CFD) method, the feasibility of simulating transient airflow in a CT-based airway tree with more than 100 outlets for a whole respiratory period is studied, and the influence of truncations of terminal bronchi on CFD characteristics is investigated. After an airway model with 122 outlets is extracted from CT images, the transient airflow is simulated. Spatial and temporal variations of flow velocity, wall pressure, and wall shear stress are presented; the flow pattern and lobar distribution of air are gotten as well. All results are compared with those of a truncated model with 22 outlets. It is found that the flow pattern shows lobar heterogeneity that the near-wall air in the trachea is inhaled into the upper lobe while the center flow enters the other lobes, and the lobar distribution of air is significantly correlated with the outlet area ratio. The truncation decreases airflow to right and left upper lobes and increases the deviation of airflow distributions between inspiration and expiration. Simulating the transient airflow in an airway tree model with 122 bronchi using CFD is feasible. The model with more terminal bronchi decreases the difference between the lobar distributions at inspiration and at expiration. PMID:29333194

HYDES: A generalized hybrid computer program for studying turbojet or turbofan engine dynamics

NASA Technical Reports Server (NTRS)

Szuch, J. R.

1974-01-01

This report describes HYDES, a hybrid computer program capable of simulating one-spool turbojet, two-spool turbojet, or two-spool turbofan engine dynamics. HYDES is also capable of simulating two- or three-stream turbofans with or without mixing of the exhaust streams. The program is intended to reduce the time required for implementing dynamic engine simulations. HYDES was developed for running on the Lewis Research Center's Electronic Associates (EAI) 690 Hybrid Computing System and satisfies the 16384-word core-size and hybrid-interface limits of that machine. The program could be modified for running on other computing systems. The use of HYDES to simulate a single-spool turbojet and a two-spool, two-stream turbofan engine is demonstrated. The form of the required input data is shown and samples of output listings (teletype) and transient plots (x-y plotter) are provided. HYDES is shown to be capable of performing both steady-state design and off-design analyses and transient analyses.

Optimal subinterval selection approach for power system transient stability simulation

DOE PAGES

Kim, Soobae; Overbye, Thomas J.

2015-10-21

Power system transient stability analysis requires an appropriate integration time step to avoid numerical instability as well as to reduce computational demands. For fast system dynamics, which vary more rapidly than what the time step covers, a fraction of the time step, called a subinterval, is used. However, the optimal value of this subinterval is not easily determined because the analysis of the system dynamics might be required. This selection is usually made from engineering experiences, and perhaps trial and error. This paper proposes an optimal subinterval selection approach for power system transient stability analysis, which is based on modalmore » analysis using a single machine infinite bus (SMIB) system. Fast system dynamics are identified with the modal analysis and the SMIB system is used focusing on fast local modes. An appropriate subinterval time step from the proposed approach can reduce computational burden and achieve accurate simulation responses as well. As a result, the performance of the proposed method is demonstrated with the GSO 37-bus system.« less

An interval precise integration method for transient unbalance response analysis of rotor system with uncertainty

NASA Astrophysics Data System (ADS)

Fu, Chao; Ren, Xingmin; Yang, Yongfeng; Xia, Yebao; Deng, Wangqun

2018-07-01

A non-intrusive interval precise integration method (IPIM) is proposed in this paper to analyze the transient unbalance response of uncertain rotor systems. The transfer matrix method (TMM) is used to derive the deterministic equations of motion of a hollow-shaft overhung rotor. The uncertain transient dynamic problem is solved by combing the Chebyshev approximation theory with the modified precise integration method (PIM). Transient response bounds are calculated by interval arithmetic of the expansion coefficients. Theoretical error analysis of the proposed method is provided briefly, and its accuracy is further validated by comparing with the scanning method in simulations. Numerical results show that the IPIM can keep good accuracy in vibration prediction of the start-up transient process. Furthermore, the proposed method can also provide theoretical guidance to other transient dynamic mechanical systems with uncertainties.

Large-eddy simulation, fuel rod vibration and grid-to-rod fretting in pressurized water reactors

DOE PAGES

Christon, Mark A.; Lu, Roger; Bakosi, Jozsef; ...

2016-10-01

Grid-to-rod fretting (GTRF) in pressurized water reactors is a flow-induced vibration phenomenon that results in wear and fretting of the cladding material on fuel rods. GTRF is responsible for over 70% of the fuel failures in pressurized water reactors in the United States. Predicting the GTRF wear and concomitant interval between failures is important because of the large costs associated with reactor shutdown and replacement of fuel rod assemblies. The GTRF-induced wear process involves turbulent flow, mechanical vibration, tribology, and time-varying irradiated material properties in complex fuel assembly geometries. This paper presents a new approach for predicting GTRF induced fuelmore » rod wear that uses high-resolution implicit large-eddy simulation to drive nonlinear transient dynamics computations. The GTRF fluid–structure problem is separated into the simulation of the turbulent flow field in the complex-geometry fuel-rod bundles using implicit large-eddy simulation, the calculation of statistics of the resulting fluctuating structural forces, and the nonlinear transient dynamics analysis of the fuel rod. Ultimately, the methods developed here, can be used, in conjunction with operational management, to improve reactor core designs in which fuel rod failures are minimized or potentially eliminated. Furthermore, robustness of the behavior of both the structural forces computed from the turbulent flow simulations and the results from the transient dynamics analyses highlight the progress made towards achieving a predictive simulation capability for the GTRF problem.« less

Large-eddy simulation, fuel rod vibration and grid-to-rod fretting in pressurized water reactors

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

Christon, Mark A.; Lu, Roger; Bakosi, Jozsef

Grid-to-rod fretting (GTRF) in pressurized water reactors is a flow-induced vibration phenomenon that results in wear and fretting of the cladding material on fuel rods. GTRF is responsible for over 70% of the fuel failures in pressurized water reactors in the United States. Predicting the GTRF wear and concomitant interval between failures is important because of the large costs associated with reactor shutdown and replacement of fuel rod assemblies. The GTRF-induced wear process involves turbulent flow, mechanical vibration, tribology, and time-varying irradiated material properties in complex fuel assembly geometries. This paper presents a new approach for predicting GTRF induced fuelmore » rod wear that uses high-resolution implicit large-eddy simulation to drive nonlinear transient dynamics computations. The GTRF fluid–structure problem is separated into the simulation of the turbulent flow field in the complex-geometry fuel-rod bundles using implicit large-eddy simulation, the calculation of statistics of the resulting fluctuating structural forces, and the nonlinear transient dynamics analysis of the fuel rod. Ultimately, the methods developed here, can be used, in conjunction with operational management, to improve reactor core designs in which fuel rod failures are minimized or potentially eliminated. Furthermore, robustness of the behavior of both the structural forces computed from the turbulent flow simulations and the results from the transient dynamics analyses highlight the progress made towards achieving a predictive simulation capability for the GTRF problem.« less

MaMiCo: Transient multi-instance molecular-continuum flow simulation on supercomputers

NASA Astrophysics Data System (ADS)

Neumann, Philipp; Bian, Xin

2017-11-01

We present extensions of the macro-micro-coupling tool MaMiCo, which was designed to couple continuum fluid dynamics solvers with discrete particle dynamics. To enable local extraction of smooth flow field quantities especially on rather short time scales, sampling over an ensemble of molecular dynamics simulations is introduced. We provide details on these extensions including the transient coupling algorithm, open boundary forcing, and multi-instance sampling. Furthermore, we validate the coupling in Couette flow using different particle simulation software packages and particle models, i.e. molecular dynamics and dissipative particle dynamics. Finally, we demonstrate the parallel scalability of the molecular-continuum simulations by using up to 65 536 compute cores of the supercomputer Shaheen II located at KAUST. Program Files doi:http://dx.doi.org/10.17632/w7rgdrhb85.1 Licensing provisions: BSD 3-clause Programming language: C, C++ External routines/libraries: For compiling: SCons, MPI (optional) Subprograms used: ESPResSo, LAMMPS, ls1 mardyn, waLBerla For installation procedures of the MaMiCo interfaces, see the README files in the respective code directories located in coupling/interface/impl. Journal reference of previous version: P. Neumann, H. Flohr, R. Arora, P. Jarmatz, N. Tchipev, H.-J. Bungartz. MaMiCo: Software design for parallel molecular-continuum flow simulations, Computer Physics Communications 200: 324-335, 2016 Does the new version supersede the previous version?: Yes. The functionality of the previous version is completely retained in the new version. Nature of problem: Coupled molecular-continuum simulation for multi-resolution fluid dynamics: parts of the domain are resolved by molecular dynamics or another particle-based solver whereas large parts are covered by a mesh-based CFD solver, e.g. a lattice Boltzmann automaton. Solution method: We couple existing MD and CFD solvers via MaMiCo (macro-micro coupling tool). Data exchange and coupling algorithmics are abstracted and incorporated in MaMiCo. Once an algorithm is set up in MaMiCo, it can be used and extended, even if other solvers are used (as soon as the respective interfaces are implemented/available). Reasons for the new version: We have incorporated a new algorithm to simulate transient molecular-continuum systems and to automatically sample data over multiple MD runs that can be executed simultaneously (on, e.g., a compute cluster). MaMiCo has further been extended by an interface to incorporate boundary forcing to account for open molecular dynamics boundaries. Besides support for coupling with various MD and CFD frameworks, the new version contains a test case that allows to run molecular-continuum Couette flow simulations out-of-the-box. No external tools or simulation codes are required anymore. However, the user is free to switch from the included MD simulation package to LAMMPS. For details on how to run the transient Couette problem, see the file README in the folder coupling/tests, Remark on MaMiCo V1.1. Summary of revisions: Open boundary forcing; Multi-instance MD sampling; support for transient molecular-continuum systems Restrictions: Currently, only single-centered systems are supported. For access to the LAMMPS-based implementation of DPD boundary forcing, please contact Xin Bian, xin.bian@tum.de. Additional comments: Please see file license_mamico.txt for further details regarding distribution and advertising of this software.

Transient dynamics of a flexible rotor with squeeze film dampers

NASA Technical Reports Server (NTRS)

Buono, D. F.; Schlitzer, L. D.; Hall, R. G., III; Hibner, D. H.

1978-01-01

A series of simulated blade loss tests are reported on a test rotor designed to operate above its second bending critical speed. A series of analyses were performed which predicted the transient behavior of the test rig for each of the blade loss tests. The scope of the program included the investigation of transient rotor dynamics of a flexible rotor system, similar to modern flexible jet engine rotors, both with and without squeeze film dampers. The results substantiate the effectiveness of squeeze film dampers and document the ability of available analytical methods to predict their effectiveness and behavior.

Hydro turbine governor’s power control of hydroelectric unit with sloping ceiling tailrace tunnel

NASA Astrophysics Data System (ADS)

Fu, Liang; Wu, Changli; Tang, Weiping

2018-02-01

The primary frequency regulation and load regulation transient process when the hydro turbine governor is under the power mode of hydropower unit with sloping ceiling tailrace are analysed by field test and numerical simulation in this paper. A simulation method based on “three-zone model” to simulate small fluctuation transient process of the sloping ceiling tailrace is proposed. The simulation model of hydraulic turbine governor power mode is established by governor’s PLC program identification and parameter measurement, and the simulation model is verified by the test. The slow-fast-slow “three-stage regulation” method which can improve the dynamic quality of hydro turbine governor power mode is proposed. The power regulation strategy and parameters are optimized by numerical simulation, the performance of primary frequency regulation and load regulation transient process when the hydro turbine governor is under power mode are improved significantly.

New Automotive Air Conditioning System Simulation Tool Developed in MATLAB/Simulink

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

Kiss, T.; Chaney, L.; Meyer, J.

Further improvements in vehicle fuel efficiency require accurate evaluation of the vehicle's transient total power requirement. When operated, the air conditioning (A/C) system is the largest auxiliary load on a vehicle; therefore, accurate evaluation of the load it places on the vehicle's engine and/or energy storage system is especially important. Vehicle simulation software, such as 'Autonomie,' has been used by OEMs to evaluate vehicles' energy performance. A transient A/C simulation tool incorporated into vehicle simulation models would also provide a tool for developing more efficient A/C systems through a thorough consideration of the transient A/C system performance. The dynamic systemmore » simulation software Matlab/Simulink was used to develop new and more efficient vehicle energy system controls. The various modeling methods used for the new simulation tool are described in detail. Comparison with measured data is provided to demonstrate the validity of the model.« less

Modeling of bubble dynamics in relation to medical applications

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

Amendt, P.A.; London, R.A.; Strauss, M.

1997-03-12

In various pulsed-laser medical applications, strong stress transients can be generated in advance of vapor bubble formation. To better understand the evolution of stress transients and subsequent formation of vapor bubbles, two-dimensional simulations are presented in channel or cylindrical geometry with the LATIS (LAser TISsue) computer code. Differences with one-dimensional modeling are explored, and simulated experimental conditions for vapor bubble generation are presented and compared with data. 22 refs., 8 figs.

Transient Cognitive Dynamics, Metastability, and Decision Making

PubMed Central

Rabinovich, Mikhail I.; Huerta, Ramón; Varona, Pablo; Afraimovich, Valentin S.

2008-01-01

The idea that cognitive activity can be understood using nonlinear dynamics has been intensively discussed at length for the last 15 years. One of the popular points of view is that metastable states play a key role in the execution of cognitive functions. Experimental and modeling studies suggest that most of these functions are the result of transient activity of large-scale brain networks in the presence of noise. Such transients may consist of a sequential switching between different metastable cognitive states. The main problem faced when using dynamical theory to describe transient cognitive processes is the fundamental contradiction between reproducibility and flexibility of transient behavior. In this paper, we propose a theoretical description of transient cognitive dynamics based on the interaction of functionally dependent metastable cognitive states. The mathematical image of such transient activity is a stable heteroclinic channel, i.e., a set of trajectories in the vicinity of a heteroclinic skeleton that consists of saddles and unstable separatrices that connect their surroundings. We suggest a basic mathematical model, a strongly dissipative dynamical system, and formulate the conditions for the robustness and reproducibility of cognitive transients that satisfy the competing requirements for stability and flexibility. Based on this approach, we describe here an effective solution for the problem of sequential decision making, represented as a fixed time game: a player takes sequential actions in a changing noisy environment so as to maximize a cumulative reward. As we predict and verify in computer simulations, noise plays an important role in optimizing the gain. PMID:18452000

Simulating transient dynamics of the time-dependent time fractional Fokker-Planck systems

NASA Astrophysics Data System (ADS)

Kang, Yan-Mei

2016-09-01

For a physically realistic type of time-dependent time fractional Fokker-Planck (FP) equation, derived as the continuous limit of the continuous time random walk with time-modulated Boltzmann jumping weight, a semi-analytic iteration scheme based on the truncated (generalized) Fourier series is presented to simulate the resultant transient dynamics when the external time modulation is a piece-wise constant signal. At first, the iteration scheme is demonstrated with a simple time-dependent time fractional FP equation on finite interval with two absorbing boundaries, and then it is generalized to the more general time-dependent Smoluchowski-type time fractional Fokker-Planck equation. The numerical examples verify the efficiency and accuracy of the iteration method, and some novel dynamical phenomena including polarized motion orientations and periodic response death are discussed.

Regional business cycle synchronization through expectations

NASA Astrophysics Data System (ADS)

Onozaki, Tamotsu; Yanagita, Tatsuo; Kaizoji, Taisei; Toyabe, Kazutaka

2007-09-01

This paper provides an example in which regional business cycles may synchronize via producers’ expectations, even though there is no interregional trade, by means of a system of globally coupled, noninvertible maps. We concentrate on the dependence of the dynamics on a parameter η which denotes the inverse of price elasticity of demand. Simulation results show that several phases (the short transient, the complete asynchronous, the long transient and the intermediate transient) appear one after another as η increases. In the long transient phase, the intermittent clustering process with a long chaotic transient appears repeatedly.

Nonlinear absorption dynamics using field-induced surface hopping: zinc porphyrin in water.

PubMed

Röhr, Merle I S; Petersen, Jens; Wohlgemuth, Matthias; Bonačić-Koutecký, Vlasta; Mitrić, Roland

2013-05-10

We wish to present the application of our field-induced surface-hopping (FISH) method to simulate nonlinear absorption dynamics induced by strong nonresonant laser fields. We provide a systematic comparison of the FISH approach with exact quantum dynamics simulations on a multistate model system and demonstrate that FISH allows for accurate simulations of nonlinear excitation processes including multiphoton electronic transitions. In particular, two different approaches for simulating two-photon transitions are compared. The first approach is essentially exact and involves the solution of the time-dependent Schrödinger equation in an extended manifold of excited states, while in the second one only transiently populated nonessential states are replaced by an effective quadratic coupling term, and dynamics is performed in a considerably smaller manifold of states. We illustrate the applicability of our method to complex molecular systems by simulating the linear and nonlinear laser-driven dynamics in zinc (Zn) porphyrin in the gas phase and in water. For this purpose, the FISH approach is connected with the quantum mechanical-molecular mechanical approach (QM/MM) which is generally applicable to large classes of complex systems. Our findings that multiphoton absorption and dynamics increase the population of higher excited states of Zn porphyrin in the nonlinear regime, in particular in solution, provides a means for manipulating excited-state properties, such as transient absorption dynamics and electronic relaxation. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Geographically distributed real-time digital simulations using linear prediction

DOE PAGES

Liu, Ren; Mohanpurkar, Manish; Panwar, Mayank; ...

2016-07-04

Real time simulation is a powerful tool for analyzing, planning, and operating modern power systems. For analyzing the ever evolving power systems and understanding complex dynamic and transient interactions larger real time computation capabilities are essential. These facilities are interspersed all over the globe and to leverage unique facilities geographically-distributed real-time co-simulation in analyzing the power systems is pursued and presented. However, the communication latency between different simulator locations may lead to inaccuracy in geographically distributed real-time co-simulations. In this paper, the effect of communication latency on geographically distributed real-time co-simulation is introduced and discussed. In order to reduce themore » effect of the communication latency, a real-time data predictor, based on linear curve fitting is developed and integrated into the distributed real-time co-simulation. Two digital real time simulators are used to perform dynamic and transient co-simulations with communication latency and predictor. Results demonstrate the effect of the communication latency and the performance of the real-time data predictor to compensate it.« less

Geographically distributed real-time digital simulations using linear prediction

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

Liu, Ren; Mohanpurkar, Manish; Panwar, Mayank

Real time simulation is a powerful tool for analyzing, planning, and operating modern power systems. For analyzing the ever evolving power systems and understanding complex dynamic and transient interactions larger real time computation capabilities are essential. These facilities are interspersed all over the globe and to leverage unique facilities geographically-distributed real-time co-simulation in analyzing the power systems is pursued and presented. However, the communication latency between different simulator locations may lead to inaccuracy in geographically distributed real-time co-simulations. In this paper, the effect of communication latency on geographically distributed real-time co-simulation is introduced and discussed. In order to reduce themore » effect of the communication latency, a real-time data predictor, based on linear curve fitting is developed and integrated into the distributed real-time co-simulation. Two digital real time simulators are used to perform dynamic and transient co-simulations with communication latency and predictor. Results demonstrate the effect of the communication latency and the performance of the real-time data predictor to compensate it.« less

Simulating the dynamic behavior of a vertical axis wind turbine operating in unsteady conditions

NASA Astrophysics Data System (ADS)

Battisti, L.; Benini, E.; Brighenti, A.; Soraperra, G.; Raciti Castelli, M.

2016-09-01

The present work aims at assessing the reliability of a simulation tool capable of computing the unsteady rotational motion and the associated tower oscillations of a variable speed VAWT immersed in a coherent turbulent wind. As a matter of fact, since the dynamic behaviour of a variable speed turbine strongly depends on unsteady wind conditions (wind gusts), a steady state approach can't accurately catch transient correlated issues. The simulation platform proposed here is implemented using a lumped mass approach: the drive train is described by resorting to both the polar inertia and the angular position of rotating parts, also considering their speed and acceleration, while rotor aerodynamic is based on steady experimental curves. The ultimate objective of the presented numerical platform is the simulation of transient phenomena, driven by turbulence, occurring during rotor operation, with the aim of supporting the implementation of efficient and robust control algorithms.

Natural gas operations: considerations on process transients, design, and control.

PubMed

Manenti, Flavio

2012-03-01

This manuscript highlights tangible benefits deriving from the dynamic simulation and control of operational transients of natural gas processing plants. Relevant improvements in safety, controllability, operability, and flexibility are obtained not only within the traditional applications, i.e. plant start-up and shutdown, but also in certain fields apparently time-independent such as the feasibility studies of gas processing plant layout and the process design of processes. Specifically, this paper enhances the myopic steady-state approach and its main shortcomings with respect to the more detailed studies that take into consideration the non-steady state behaviors. A portion of a gas processing facility is considered as case study. Process transients, design, and control solutions apparently more appealing from a steady-state approach are compared to the corresponding dynamic simulation solutions. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.

Dynamic analysis of solid propellant grains subjected to ignition pressurization loading

NASA Astrophysics Data System (ADS)

Chyuan, Shiang-Woei

2003-11-01

Traditionally, the transient analysis of solid propellant grains subjected to ignition pressurization loading was not considered, and quasi-elastic-static analysis was widely adopted for structural integrity because the analytical task gets simplified. But it does not mean that the dynamic effect is not useful and could be neglected arbitrarily, and this effect usually plays a very important role for some critical design. In order to simulate the dynamic response for solid rocket motor, a transient finite element model, accompanied by concepts of time-temperature shift principle, reduced integration and thermorheologically simple material assumption, was used. For studying the dynamic response, diverse ignition pressurization loading cases were used and investigated in the present paper. Results show that the dynamic effect is important for structural integrity of solid propellant grains under ignition pressurization loading. Comparing the effective stress of transient analysis and of quasi-elastic-static analysis, one can see that there is an obvious difference between them because of the dynamic effect. From the work of quasi-elastic-static and transient analyses, the dynamic analysis highlighted several areas of interest and a more accurate and reasonable result could be obtained for the engineer.

An Introduction to System-Level, Steady-State and Transient Modeling and Optimization of High-Power-Density Thermoelectric Generator Devices Made of Segmented Thermoelectric Elements

NASA Astrophysics Data System (ADS)

Crane, D. T.

2011-05-01

High-power-density, segmented, thermoelectric (TE) elements have been intimately integrated into heat exchangers, eliminating many of the loss mechanisms of conventional TE assemblies, including the ceramic electrical isolation layer. Numerical models comprising simultaneously solved, nonlinear, energy balance equations have been created to simulate these novel architectures. Both steady-state and transient models have been created in a MATLAB/Simulink environment. The models predict data from experiments in various configurations and applications over a broad range of temperature, flow, and current conditions for power produced, efficiency, and a variety of other important outputs. Using the validated models, devices and systems are optimized using advanced multiparameter optimization techniques. Devices optimized for particular steady-state operating conditions can then be dynamically simulated in a transient operating model. The transient model can simulate a variety of operating conditions including automotive and truck drive cycles.

Transient responses of phosphoric acid fuel cell power plant system. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Lu, Cheng-Yi

1983-01-01

An analytical and computerized study of the steady state and transient response of a phosphoric acid fuel cell (PAFC) system was completed. Parametric studies and sensitivity analyses of the PAFC system's operation were accomplished. Four non-linear dynamic models of the fuel cell stack, reformer, shift converters, and heat exchangers were developed based on nonhomogeneous non-linear partial differential equations, which include the material, component, energy balance, and electrochemical kinetic features. Due to a lack of experimental data for the dynamic response of the components only the steady state results were compared with data from other sources, indicating reasonably good agreement. A steady state simulation of the entire system was developed using, nonlinear ordinary differential equations. The finite difference method and trial-and-error procedures were used to obtain a solution. Using the model, a PAFC system, that was developed under NASA Grant, NCC3-17, was improved through the optimization of the heat exchanger network. Three types of cooling configurations for cell plates were evaluated to obtain the best current density and temperature distributions. The steady state solutions were used as the initial conditions in the dynamic model. The transient response of a simplified PAFC system, which included all of the major components, subjected to a load change was obtained. Due to the length of the computation time for the transient response calculations, analysis on a real-time computer was not possible. A simulation of the real-time calculations was developed on a batch type computer. The transient response characteristics are needed for the optimization of the design and control of the whole PAFC system. All of the models, procedures and simulations were programmed in Fortran and run on IBM 370 computers at Cleveland State University and the NASA Lewis Research Center.

On Parallelizing Single Dynamic Simulation Using HPC Techniques and APIs of Commercial Software

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

Diao, Ruisheng; Jin, Shuangshuang; Howell, Frederic

Time-domain simulations are heavily used in today’s planning and operation practices to assess power system transient stability and post-transient voltage/frequency profiles following severe contingencies to comply with industry standards. Because of the increased modeling complexity, it is several times slower than real time for state-of-the-art commercial packages to complete a dynamic simulation for a large-scale model. With the growing stochastic behavior introduced by emerging technologies, power industry has seen a growing need for performing security assessment in real time. This paper presents a parallel implementation framework to speed up a single dynamic simulation by leveraging the existing stability model librarymore » in commercial tools through their application programming interfaces (APIs). Several high performance computing (HPC) techniques are explored such as parallelizing the calculation of generator current injection, identifying fast linear solvers for network solution, and parallelizing data outputs when interacting with APIs in the commercial package, TSAT. The proposed method has been tested on a WECC planning base case with detailed synchronous generator models and exhibits outstanding scalable performance with sufficient accuracy.« less

Producing coherent excitations in pumped Mott antiferromagnetic insulators

NASA Astrophysics Data System (ADS)

Wang, Yao; Claassen, Martin; Moritz, B.; Devereaux, T. P.

2017-12-01

Nonequilibrium dynamics in correlated materials has attracted attention due to the possibility of characterizing, tuning, and creating complex ordered states. To understand the photoinduced microscopic dynamics, especially the linkage under realistic pump conditions between transient states and remnant elementary excitations, we performed nonperturbative simulations of various time-resolved spectroscopies. We used the Mott antiferromagnetic insulator as a model platform. The transient dynamics of multiparticle excitations can be attributed to the interplay between Floquet virtual states and a modification of the density of states, in which interactions induce a spectral weight transfer. Using an autocorrelation of the time-dependent spectral function, we show that resonance of the virtual states with the upper Hubbard band in the Mott insulator provides the route towards manipulating the electronic distribution and modifying charge and spin excitations. Our results link transient dynamics to the nature of many-body excitations and provide an opportunity to design nonequilibrium states of matter via tuned laser pulses.

E9-Im9 Colicin DNase−Immunity Protein Biomolecular Association in Water: A Multiple-Copy and Accelerated Molecular Dynamics Simulation Study

PubMed Central

2008-01-01

Protein−protein transient and dynamic interactions underlie all biological processes. The molecular dynamics (MD) of the E9 colicin DNase protein, its Im9 inhibitor protein, and their E9-Im9 recognition complex are investigated by combining multiple-copy (MC) MD and accelerated MD (aMD) explicit-solvent simulation approaches, after validation with crystalline-phase and solution experiments. Im9 shows higher flexibility than its E9 counterpart. Im9 displays a significant reduction of backbone flexibility and a remarkable increase in motional correlation upon E9 association. Im9 loops 23−31 and 54−64 open with respect to the E9-Im9 X-ray structure and show high conformational diversity. Upon association a large fraction (∼20 nm2) of E9 and Im9 protein surfaces become inaccessible to water. Numerous salt bridges transiently occurring throughout our six 50 ns long MC-MD simulations are not present in the X-ray model. Among these Im9 Glu31−E9 Arg96 and Im9 Glu41−Lys89 involve interface interactions. Through the use of 10 ns of Im9 aMD simulation, we reconcile the largest thermodynamic impact measured for Asp51Ala mutation with Im9 structure and dynamics. Lys57 acts as an essential molecular switch to shift Im9 surface loop towards an ideal configuration for E9 inhibition. This is achieved by switching Asp60−Lys57 and Asp62−Lys57 hydrogen bonds to Asp51−Lys57 salt bridge. E9-Im9 recognition involves shifts of conformational distributions, reorganization of intramolecular hydrogen bond patterns, and formation of new inter- and intramolecular interactions. The description of key transient biological interactions can be significantly enriched by the dynamic and atomic-level information provided by computer simulations. PMID:19053689

Transient Nonequilibrium Molecular Dynamic Simulations of Thermal Conductivity: 1. Simple Fluids

NASA Astrophysics Data System (ADS)

Hulse, R. J.; Rowley, R. L.; Wilding, W. V.

2005-01-01

Thermal conductivity has been previously obtained from molecular dynamics (MD) simulations using either equilibrium (EMD) simulations (from Green--Kubo equations) or from steady-state nonequilibrium (NEMD) simulations. In the case of NEMD, either boundary-driven steady states are simulated or constrained equations of motion are used to obtain steady-state heat transfer rates. Like their experimental counterparts, these nonequilibrium steady-state methods are time consuming and may have convection problems. Here we report a new transient method developed to provide accurate thermal conductivity predictions from MD simulations. In the proposed MD method, molecules that lie within a specified volume are instantaneously heated. The temperature decay of the system of molecules inside the heated volume is compared to the solution of the transient energy equation, and the thermal diffusivity is regressed. Since the density of the fluid is set in the simulation, only the isochoric heat capacity is needed in order to obtain the thermal conductivity. In this study the isochoric heat capacity is determined from energy fluctuations within the simulated fluid. The method is valid in the liquid, vapor, and critical regions. Simulated values for the thermal conductivity of a Lennard-Jones (LJ) fluid were obtained using this new method over a temperature range of 90 to 900 K and a density range of 1-35 kmol · m-3. These values compare favorably with experimental values for argon. The new method has a precision of ±10%. Compared to other methods, the algorithm is quick, easy to code, and applicable to small systems, making the simulations very efficient.

Non-equilibrium transport and spin dynamics in single-molecule magnets

NASA Astrophysics Data System (ADS)

Moldoveanu, V.; Dinu, I. V.; Tanatar, B.

2015-11-01

The time-dependent transport through single-molecule magnets (SMM) coupled to magnetic or non-magnetic electrodes is studied in the framework of the generalized Master equation (GME) method. We calculate the transient currents which develop when the molecule is smoothly coupled to the source and drain electrodes. The signature of the electrically induced magnetic switching on these transient currents is investigated. Our simulations show that the magnetic switching of the molecular spin can be read indirectly from the transient currents if one lead is magnetic and it is much faster if the leads have opposite spin polarizations. We identify effects of the transverse anisotropy on the dynamics of molecular states.

Dynamic simulation of coronal mass ejections

NASA Technical Reports Server (NTRS)

Steinolfson, R. S.; Wu, S. T.

1980-01-01

A model is developed for the formation and propagation through the lower corona of the loop-like coronal transients in which mass is ejected from near the solar surface to the outer corona. It is assumed that the initial state for the transient is a coronal streamer. The initial state for the streamer is a polytropic, hydrodynamic solution to the steady-state radial equation of motion coupled with a force-free dipole magnetic field. The numerical solution of the complete time-dependent equations then gradually approaches a stationary coronal streamer configuration. The streamer configuration becomes the initial state for the coronal transient. The streamer and transient simulations are performed completely independent of each other. The transient is created by a sudden increase in the pressure at the base of the closed-field region in the streamer configuration. Both coronal streamers and coronal transients are calculated for values of the plasma beta (the ratio of thermal to magnetic pressure) varying from 0.1 to 100.

Transient simulation of molten salt central receiver

NASA Astrophysics Data System (ADS)

Doupis, Dimitri; Wang, Chuan; Carcorze-Soto, Jorge; Chen, Yen-Ming; Maggi, Andrea; Losito, Matteo; Clark, Michael

2016-05-01

Alstom is developing concentrated solar power (CSP) utilizing 60/40wt% NaNO3-KNO3 molten salt as the working fluid in a tower receiver for the global renewable energy market. In the CSP power generation cycle, receivers undergo a daily cyclic operation due to the transient nature of solar energy. Development of robust and efficient start-up and shut-down procedures is critical to avoiding component failures due to mechanical fatigue resulting from thermal transients, thus maintaining the performance and availability of the CSP plant. The Molten Salt Central Receiver (MSCR) is subject to thermal transients during normal daily operation, a cycle that includes warmup, filling, operation, draining, and shutdown. This paper describes a study to leverage dynamic simulation and finite element analysis (FEA) in development of start-up, shutdown, and transient operation concepts for the MSCR. The results of the FEA also verify the robustness of the MSCR design to the thermal transients anticipated during the operation of the plant.

Optimization of startup and shutdown operation of simulated moving bed chromatographic processes.

PubMed

Li, Suzhou; Kawajiri, Yoshiaki; Raisch, Jörg; Seidel-Morgenstern, Andreas

2011-06-24

This paper presents new multistage optimal startup and shutdown strategies for simulated moving bed (SMB) chromatographic processes. The proposed concept allows to adjust transient operating conditions stage-wise, and provides capability to improve transient performance and to fulfill product quality specifications simultaneously. A specially tailored decomposition algorithm is developed to ensure computational tractability of the resulting dynamic optimization problems. By examining the transient operation of a literature separation example characterized by nonlinear competitive isotherm, the feasibility of the solution approach is demonstrated, and the performance of the conventional and multistage optimal transient regimes is evaluated systematically. The quantitative results clearly show that the optimal operating policies not only allow to significantly reduce both duration of the transient phase and desorbent consumption, but also enable on-spec production even during startup and shutdown periods. With the aid of the developed transient procedures, short-term separation campaigns with small batch sizes can be performed more flexibly and efficiently by SMB chromatography. Copyright © 2011 Elsevier B.V. All rights reserved.

Current capabilities for simulating the extreme distortion of thin structures subjected to severe impacts

NASA Technical Reports Server (NTRS)

Key, Samuel W.

1993-01-01

The explicit transient dynamics technology in use today for simulating the impact and subsequent transient dynamic response of a structure has its origins in the 'hydrocodes' dating back to the late 1940's. The growth in capability in explicit transient dynamics technology parallels the growth in speed and size of digital computers. Computer software for simulating the explicit transient dynamic response of a structure is characterized by algorithms that use a large number of small steps. In explicit transient dynamics software there is a significant emphasis on speed and simplicity. The finite element technology used to generate the spatial discretization of a structure is based on a compromise between completeness of the representation for the physical processes modelled and speed in execution. That is, since it is expected in every calculation that the deformation will be finite and the material will be strained beyond the elastic range, the geometry and the associated gradient operators must be reconstructed, as well as complex stress-strain models evaluated at every time step. As a result, finite elements derived for explicit transient dynamics software use the simplest and barest constructions possible for computational efficiency while retaining an essential representation of the physical behavior. The best example of this technology is the four-node bending quadrilateral derived by Belytschko, Lin and Tsay. Today, the speed, memory capacity and availability of computer hardware allows a number of the previously used algorithms to be 'improved.' That is, it is possible with today's computing hardware to modify many of the standard algorithms to improve their representation of the physical process at the expense of added complexity and computational effort. The purpose is to review a number of these algorithms and identify the improvements possible. In many instances, both the older, faster version of the algorithm and the improved and somewhat slower version of the algorithm are found implemented together in software. Specifically, the following seven algorithmic items are examined: the invariant time derivatives of stress used in material models expressed in rate form; incremental objectivity and strain used in the numerical integration of the material models; the use of one-point element integration versus mean quadrature; shell elements used to represent the behavior of thin structural components; beam elements based on stress-resultant plasticity versus cross-section integration; the fidelity of elastic-plastic material models in their representation of ductile metals; and the use of Courant subcycling to reduce computational effort.

Detection of phasic dopamine by D1 and D2 striatal medium spiny neurons.

PubMed

Yapo, Cedric; Nair, Anu G; Clement, Lorna; Castro, Liliana R; Hellgren Kotaleski, Jeanette; Vincent, Pierre

2017-12-15

Brief dopamine events are critical actors of reward-mediated learning in the striatum; the intracellular cAMP-protein kinase A (PKA) response of striatal medium spiny neurons to such events was studied dynamically using a combination of biosensor imaging in mouse brain slices and in silico simulations. Both D1 and D2 medium spiny neurons can sense brief dopamine transients in the sub-micromolar range. While dopamine transients profoundly change cAMP levels in both types of medium spiny neurons, the PKA-dependent phosphorylation level remains unaffected in D2 neurons. At the level of PKA-dependent phosphorylation, D2 unresponsiveness depends on protein phosphatase-1 (PP1) inhibition by DARPP-32. Simulations suggest that D2 medium spiny neurons could detect transient dips in dopamine level. The phasic release of dopamine in the striatum determines various aspects of reward and action selection, but the dynamics of the dopamine effect on intracellular signalling remains poorly understood. We used genetically encoded FRET biosensors in striatal brain slices to quantify the effect of transient dopamine on cAMP or PKA-dependent phosphorylation levels, and computational modelling to further explore the dynamics of this signalling pathway. Medium-sized spiny neurons (MSNs), which express either D 1 or D 2 dopamine receptors, responded to dopamine by an increase or a decrease in cAMP, respectively. Transient dopamine showed similar sub-micromolar efficacies on cAMP in both D1 and D2 MSNs, thus challenging the commonly accepted notion that dopamine efficacy is much higher on D 2 than on D 1 receptors. However, in D2 MSNs, the large decrease in cAMP level triggered by transient dopamine did not translate to a decrease in PKA-dependent phosphorylation level, owing to the efficient inhibition of protein phosphatase 1 by DARPP-32. Simulations further suggested that D2 MSNs can also operate in a 'tone-sensing' mode, allowing them to detect transient dips in basal dopamine. Overall, our results show that D2 MSNs may sense much more complex patterns of dopamine than previously thought. © 2017 The Authors. The Journal of Physiology © 2017 The Physiological Society.

DEAN: A program for dynamic engine analysis

NASA Technical Reports Server (NTRS)

Sadler, G. G.; Melcher, K. J.

1985-01-01

The Dynamic Engine Analysis program, DEAN, is a FORTRAN code implemented on the IBM/370 mainframe at NASA Lewis Research Center for digital simulation of turbofan engine dynamics. DEAN is an interactive program which allows the user to simulate engine subsystems as well as a full engine systems with relative ease. The nonlinear first order ordinary differential equations which define the engine model may be solved by one of four integration schemes, a second order Runge-Kutta, a fourth order Runge-Kutta, an Adams Predictor-Corrector, or Gear's method for still systems. The numerical data generated by the model equations are displayed at specified intervals between which the user may choose to modify various parameters affecting the model equations and transient execution. Following the transient run, versatile graphics capabilities allow close examination of the data. DEAN's modeling procedure and capabilities are demonstrated by generating a model of simple compressor rig.

Transient Simulation of the Multi-SERTTA Experiment with MAMMOTH

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

Ortensi, Javier; Baker, Benjamin; Wang, Yaqi

This work details the MAMMOTH reactor physics simulations of the Static Environment Rodlet Transient Test Apparatus (SERTTA) conducted at Idaho National Laboratory in FY-2017. TREAT static-environment experiment vehicles are being developed to enable transient testing of Pressurized Water Reactor (PWR) type fuel specimens, including fuel concepts with enhanced accident tolerance (Accident Tolerant Fuels, ATF). The MAMMOTH simulations include point reactor kinetics as well as spatial dynamics for a temperature-limited transient. The strongly coupled multi-physics solutions of the neutron flux and temperature fields are second order accurate both in the spatial and temporal domains. MAMMOTH produces pellet stack powers that are within 1.5% of the Monte Carlo reference solutions. Some discrepancies between the MCNP model used in the design of the flux collars and the Serpent/MAMMOTH models lead to higher power and energy deposition values in Multi-SERTTA unit 1. The TREAT core results compare well with the safety case computed with point reactor kinetics in RELAP5-3D. The reactor period is 44 msec, which corresponds to a reactivity insertion of 2.685% delta k/kmore » $. The peak core power in the spatial dynamics simulation is 431 MW, which the point kinetics model over-predicts by 12%. The pulse width at half the maximum power is 0.177 sec. Subtle transient effects are apparent at the beginning insertion in the experimental samples due to the control rod removal. Additional difference due to transient effects are observed in the sample powers and enthalpy. The time dependence of the power coupling factor (PCF) is calculated for the various fuel stacks of the Multi-SERTTA vehicle. Sample temperatures in excess of 3100 K, the melting point UO$$_2$$, are computed with the adiabatic heat transfer model. The planned shaped-transient might introduce additional effects that cannot be predicted with PRK models. Future modeling will be focused on the shaped-transient by improving the control rod models in MAMMOTH and adding the BISON thermo-elastic models and thermal-fluids heat transfer.« less

Current Scientific Issues in Large Scale Atmospheric Dynamics

NASA Technical Reports Server (NTRS)

Miller, T. L. (Compiler)

1986-01-01

Topics in large scale atmospheric dynamics are discussed. Aspects of atmospheric blocking, the influence of transient baroclinic eddies on planetary-scale waves, cyclogenesis, the effects of orography on planetary scale flow, small scale frontal structure, and simulations of gravity waves in frontal zones are discussed.

Thermal inertia effect in an axisymmetric thermoelastic problem based on generalized thermoelasticity

NASA Astrophysics Data System (ADS)

Xie, Yushu; Li, Fatao

2010-06-01

The objective of this paper is to study thermal inertia effect due to the fact of the properties of the hyperbolic equations based on LS theory in generalized thermoelasticity. Simulations in a 2D hollow cylinder for uncoupled dynamic thermal stresses and thermal displacements were predicted by use of finite element method with Newmark algorithm. The thermal inertia effect on LS theory in rapid transient heat transfer process is also investigated in comparison with in steady heat transfer process. When different specific heat capacity is chosen, dynamic thermal stresses appear different types of vibration, in which less heat capacity causes more violent dynamic thermal stresses because of the thermal inertia effect. Both dynamic thermal stresses and thermal displacements in rapid transient heat transfer process have the larger amplitude and higher frequency than in steady heat transfer process due to thermal inertia from the results of simulation, which is consistent with the nature of the generalized thermoelasticity.

Modification of the SAS4A Safety Analysis Code for Integration with the ADAPT Discrete Dynamic Event Tree Framework.

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

Jankovsky, Zachary Kyle; Denman, Matthew R.

It is difficult to assess the consequences of a transient in a sodium-cooled fast reactor (SFR) using traditional probabilistic risk assessment (PRA) methods, as numerous safety-related sys- tems have passive characteristics. Often there is significant dependence on the value of con- tinuous stochastic parameters rather than binary success/failure determinations. One form of dynamic PRA uses a system simulator to represent the progression of a transient, tracking events through time in a discrete dynamic event tree (DDET). In order to function in a DDET environment, a simulator must have characteristics that make it amenable to changing physical parameters midway through themore » analysis. The SAS4A SFR system analysis code did not have these characteristics as received. This report describes the code modifications made to allow dynamic operation as well as the linking to a Sandia DDET driver code. A test case is briefly described to demonstrate the utility of the changes.« less

Effects of self-coupling and asymmetric output on metastable dynamical transient firing patterns in arrays of neurons with bidirectional inhibitory coupling.

PubMed

Horikawa, Yo

2016-04-01

Metastable dynamical transient patterns in arrays of bidirectionally coupled neurons with self-coupling and asymmetric output were studied. First, an array of asymmetric sigmoidal neurons with symmetric inhibitory bidirectional coupling and self-coupling was considered and the bifurcations of its steady solutions were shown. Metastable dynamical transient spatially nonuniform states existed in the presence of a pair of spatially symmetric stable solutions as well as unstable spatially nonuniform solutions in a restricted range of the output gain of a neuron. The duration of the transients increased exponentially with the number of neurons up to the maximum number at which the spatially nonuniform steady solutions were stabilized. The range of the output gain for which they existed reduced as asymmetry in a sigmoidal output function of a neuron increased, while the existence range expanded as the strength of inhibitory self-coupling increased. Next, arrays of spiking neuron models with slow synaptic inhibitory bidirectional coupling and self-coupling were considered with computer simulation. In an array of Class 1 Hindmarsh-Rose type models, in which each neuron showed a graded firing rate, metastable dynamical transient firing patterns were observed in the presence of inhibitory self-coupling. This agreed with the condition for the existence of metastable dynamical transients in an array of sigmoidal neurons. In an array of Class 2 Bonhoeffer-van der Pol models, in which each neuron had a clear threshold between firing and resting, long-lasting transient firing patterns with bursting and irregular motion were observed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Instrumented Taylor anvil-on-rod impact tests for validating applicability of standard strength models to transient deformation states

NASA Astrophysics Data System (ADS)

Eakins, D. E.; Thadhani, N. N.

2006-10-01

Instrumented Taylor anvil-on-rod impact tests have been conducted on oxygen-free electronic copper to validate the accuracy of current strength models for predicting transient states during dynamic deformation events. The experiments coupled the use of high-speed digital photography to record the transient deformation states and laser interferometry to monitor the sample back (free surface) velocity as a measure of the elastic/plastic wave propagation through the sample length. Numerical continuum dynamics simulations of the impact and plastic wave propagation employing the Johnson-Cook [Proceedings of the Seventh International Symposium on Ballistics, 1983, The Netherlands (Am. Def. Prep. Assoc. (ADPA)), pp. 541-547], Zerilli-Armstrong [J. Appl. Phys. C1, 1816 (1987)], and Steinberg-Guinan [J. Appl. Phys. 51, 1498 (1980)] constitutive equations were used to generate transient deformation profiles and the free surface velocity traces. While these simulations showed good correlation with the measured free surface velocity traces and the final deformed sample shape, varying degrees of deviations were observed between the photographed and calculated specimen profiles at intermediate deformation states. The results illustrate the usefulness of the instrumented Taylor anvil-on-rod impact technique for validating constitutive equations that can describe the path-dependent deformation response and can therefore predict the transient and final deformation states.

On the need of mode interpolation for data-driven Galerkin models of a transient flow around a sphere

NASA Astrophysics Data System (ADS)

Stankiewicz, Witold; Morzyński, Marek; Kotecki, Krzysztof; Noack, Bernd R.

2017-04-01

We present a low-dimensional Galerkin model with state-dependent modes capturing linear and nonlinear dynamics. Departure point is a direct numerical simulation of the three-dimensional incompressible flow around a sphere at Reynolds numbers 400. This solution starts near the unstable steady Navier-Stokes solution and converges to a periodic limit cycle. The investigated Galerkin models are based on the dynamic mode decomposition (DMD) and derive the dynamical system from first principles, the Navier-Stokes equations. A DMD model with training data from the initial linear transient fails to predict the limit cycle. Conversely, a model from limit-cycle data underpredicts the initial growth rate roughly by a factor 5. Key enablers for uniform accuracy throughout the transient are a continuous mode interpolation between both oscillatory fluctuations and the addition of a shift mode. This interpolated model is shown to capture both the transient growth of the oscillation and the limit cycle.

A decentralised multi-agent approach to enhance the stability of smart microgrids with renewable energy

NASA Astrophysics Data System (ADS)

Rahman, M. S.; Pota, H. R.; Mahmud, M. A.; Hossain, M. J.

2016-05-01

This paper presents the impact of large penetration of wind power on the transient stability through a dynamic evaluation of the critical clearing times (CCTs) by using intelligent agent-based approach. A decentralised multi-agent-based framework is developed, where agents represent a number of physical device models to form a complex infrastructure for computation and communication. They enable the dynamic flow of information and energy for the interaction between the physical processes and their activities. These agents dynamically adapt online measurements and use the CCT information for relay coordination to improve the transient stability of power systems. Simulations are carried out on a smart microgrid system for faults at increasing wind power penetration levels and the improvement in transient stability using the proposed agent-based framework is demonstrated.

Simulation of tokamak armour erosion and plasma contamination at intense transient heat fluxes in ITER

NASA Astrophysics Data System (ADS)

Landman, I. S.; Bazylev, B. N.; Garkusha, I. E.; Loarte, A.; Pestchanyi, S. E.; Safronov, V. M.

2005-03-01

For ITER, the potential material damage of plasma facing tungsten-, CFC-, or beryllium components during transient processes such as ELMs or mitigated disruptions are simulated numerically using the MHD code FOREV-2D and the melt motion code MEMOS-1.5D for a heat deposition in the range of 0.5-3 MJ/m 2 on the time scale of 0.1-1 ms. Such loads can cause significant evaporation at the target surface and a contamination of the SOL by the ions of evaporated material. Results are presented on carbon plasma dynamics in toroidal geometry and on radiation fluxes from the SOL carbon ions obtained with FOREV-2D. The validation of MEMOS-1.5D against the plasma gun tokamak simulators MK-200UG and QSPA-Kh50, based on the tungsten melting threshold, is described. Simulations with MEMOS-1.5D for a beryllium first wall that provide important details about the melt motion dynamics and typical features of the damage are reported.

The Importance of Detailed Component Simulations in the Feedsystem Development for a Two-Stage-to Orbit Reusable Launch Vehicle

NASA Technical Reports Server (NTRS)

Mazurkivich, Pete; Chandler, Frank; Grayson, Gary

2005-01-01

To meet the requirements for the 2nd Generation Reusable Launch Vehicle (RLV), a unique propulsion feed system concept was identified using crossfeed between the booster and orbiter stages that could reduce the Two-Stage-to-Orbit (TSTO) vehicle weight and development cost by approximately 25%. A Main Propulsion System (MPS) crossfeed water demonstration test program was configured to address all the activities required to reduce the risks for the MPS crossfeed system. A transient, one-dimensional system simulation was developed for the subscale crossfeed water flow tests. To ensure accurate representation of the crossfeed valve's dynamics in the system model, a high-fidelity, three-dimensional, computational fluid-dynamics (CFD) model was employed. The results from the CFD model were used to specify the valve's flow characteristics in the system simulation. This yielded a crossfeed system model that was anchored to the specific valve hardware and achieved good agreement with the measured test data. These results allowed the transient models to be correlated and validated and used for full scale mission predictions. The full scale model simulations indicate crossfeed is ' viable with the system pressure disturbances at the crossfeed transition being less than experienced by the propulsion system during engine start and shutdown transients.

Space Shuttle Projects

NASA Image and Video Library

1987-07-01

A forward segment is being lowered into the Transient Pressure Test Article (TPTA) test stand at the Marshall Space Flight Center (MSFC) east test area. The TPTA test stand, 14-feet wide, 27-feet long, and 33-feet high, was built in 1987 to provide data to verify the sealing capability of the redesign solid rocket motor (SRM) field and nozzle joints. The test facility applies pressure, temperature, and external loads to a short stack of solid rocket motor hardware. The simulated SRM ignition pressure and temperature transients are achieved by firing a small amount of specially configured solid propellant. The pressure transient is synchronized with external programmable dynamic loads that simulate lift off loads at the external tank attach points. Approximately one million pounds of dead weight on top of the test article simulates the weight of the other Shuttle elements.

Space Shuttle Projects

NASA Image and Video Library

1987-07-01

A forward segment is being lowered into the Transient Pressure Test Article (TPTA) test stand at thw Marshall Space Flight Center (MSFC) east test area. The TPTA test stand, 14-feet wide, 27-feet long, and 33-feet high, was built in 1987 to provide data to verify the sealing capability of the redesign solid rocket motor (SRM) field and nozzle joints. The test facility applies pressure, temperature, and external loads to a short stack of solid rocket motor hardware. The simulated SRM ignition pressure and temperature transients are achieved by firing a small amount of specially configured solid propellant. The pressure transient is synchronized with external programmable dynamic loads that simulate lift off loads at the external tank attach points. Approximately one million pounds of dead weight on top of the test article simulates the weight of the other Shuttle elements.

Analysis of the Effects of Surface Pitting and Wear on the Vibrations of a Gear Transmission System

NASA Technical Reports Server (NTRS)

Choy, F. K.; Polyshchuk, V.; Zakrajsek, J. J.; Handschuh, R. F.; Townsend, D. P.

1994-01-01

A comprehensive procedure to simulate and analyze the vibrations in a gear transmission system with surface pitting, 'wear' and partial tooth fracture of the gear teeth is presented. An analytical model was developed where the effects of surface pitting and wear of the gear tooth were simulated by phase and magnitude changes in the gear mesh stiffness. Changes in the gear mesh stiffness were incorporated into each gear-shaft model during the global dynamic simulation of the system. The overall dynamics of the system were evaluated by solving for the transient dynamics of each shaft system simultaneously with the vibration of the gearbox structure. In order to reduce the number of degrees-of-freedom in the system, a modal synthesis procedure was used in the global transient dynamic analysis of the overall transmission system. An FFT procedure was used to transform the averaged time signal into the frequency domain for signature analysis. In addition, the Wigner-Ville distribution was also introduced to examine the gear vibration in the joint time frequency domain for vibration pattern recognition. Experimental results obtained from a gear fatigue test rig at NASA Lewis Research Center were used to evaluate the analytical model.

Slow-Down in Diffusion in Crowded Protein Solutions Correlates with Transient Cluster Formation.

PubMed

Nawrocki, Grzegorz; Wang, Po-Hung; Yu, Isseki; Sugita, Yuji; Feig, Michael

2017-12-14

For a long time, the effect of a crowded cellular environment on protein dynamics has been largely ignored. Recent experiments indicate that proteins diffuse more slowly in a living cell than in a diluted solution, and further studies suggest that the diffusion depends on the local surroundings. Here, detailed insight into how diffusion depends on protein-protein contacts is presented based on extensive all-atom molecular dynamics simulations of concentrated villin headpiece solutions. After force field adjustments in the form of increased protein-water interactions to reproduce experimental data, translational and rotational diffusion was analyzed in detail. Although internal protein dynamics remained largely unaltered, rotational diffusion was found to slow down more significantly than translational diffusion as the protein concentration increased. The decrease in diffusion is interpreted in terms of a transient formation of protein clusters. These clusters persist on sub-microsecond time scales and follow distributions that increasingly shift toward larger cluster size with increasing protein concentrations. Weighting diffusion coefficients estimated for different clusters extracted from the simulations with the distribution of clusters largely reproduces the overall observed diffusion rates, suggesting that transient cluster formation is a primary cause for a slow-down in diffusion upon crowding with other proteins.

Prediction of rarefied micro-nozzle flows using the SPARTA library

NASA Astrophysics Data System (ADS)

Deschenes, Timothy R.; Grot, Jonathan

2016-11-01

The accurate numerical prediction of gas flows within micro-nozzles can help evaluate the performance and enable the design of optimal configurations for micro-propulsion systems. Viscous effects within the large boundary layers can have a strong impact on the nozzle performance. Furthermore, the variation in collision length scales from continuum to rarefied preclude the use of continuum-based computational fluid dynamics. In this paper, we describe the application of a massively parallel direct simulation Monte Carlo (DSMC) library to predict the steady-state and transient flow through a micro-nozzle. The nozzle's geometric configuration is described in a highly flexible manner to allow for the modification of the geometry in a systematic fashion. The transient simulation highlights a strong shock structure that forms within the converging portion of the nozzle when the expanded gas interacts with the nozzle walls. This structure has a strong impact on the buildup of the gas in the nozzle and affects the boundary layer thickness beyond the throat in the diverging section of the nozzle. Future work will look to examine the transient thrust and integrate this simulation capability into a web-based rarefied gas dynamics prediction software, which is currently under development.

Numerical simulation of the actuation system for the ALDF's propulsion control valve. [Aircraft Landing Dynamics Facility

NASA Technical Reports Server (NTRS)

Korte, John J.

1990-01-01

A numerical simulation of the actuation system for the propulsion control valve (PCV) of the NASA Langley Aircraft Landing Dynamics Facility was developed during the preliminary design of the PCV and used throughout the entire project. The simulation is based on a predictive model of the PCV which is used to evaluate and design the actuation system. The PCV controls a 1.7 million-pound thrust water jet used in propelling a 108,000-pound test carriage. The PCV can open and close in 0.300 second and deliver over 9,000 gallons of water per sec at pressures up to 3150 psi. The numerical simulation results are used to predict transient performance and valve opening characteristics, specify the hydraulic control system, define transient loadings on components, and evaluate failure modes. The mathematical model used for numerically simulating the mechanical fluid power system is described, and numerical results are demonstrated for a typical opening and closing cycle of the PCV. A summary is then given on how the model is used in the design process.

Comparative Implementation of High Performance Computing for Power System Dynamic Simulations

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

Jin, Shuangshuang; Huang, Zhenyu; Diao, Ruisheng

Dynamic simulation for transient stability assessment is one of the most important, but intensive, computations for power system planning and operation. Present commercial software is mainly designed for sequential computation to run a single simulation, which is very time consuming with a single processer. The application of High Performance Computing (HPC) to dynamic simulations is very promising in accelerating the computing process by parallelizing its kernel algorithms while maintaining the same level of computation accuracy. This paper describes the comparative implementation of four parallel dynamic simulation schemes in two state-of-the-art HPC environments: Message Passing Interface (MPI) and Open Multi-Processing (OpenMP).more » These implementations serve to match the application with dedicated multi-processor computing hardware and maximize the utilization and benefits of HPC during the development process.« less

Performance analysis and dynamic modeling of a single-spool turbojet engine

NASA Astrophysics Data System (ADS)

Andrei, Irina-Carmen; Toader, Adrian; Stroe, Gabriela; Frunzulica, Florin

2017-01-01

The purposes of modeling and simulation of a turbojet engine are the steady state analysis and transient analysis. From the steady state analysis, which consists in the investigation of the operating, equilibrium regimes and it is based on appropriate modeling describing the operation of a turbojet engine at design and off-design regimes, results the performance analysis, concluded by the engine's operational maps (i.e. the altitude map, velocity map and speed map) and the engine's universal map. The mathematical model that allows the calculation of the design and off-design performances, in case of a single spool turbojet is detailed. An in house code was developed, its calibration was done for the J85 turbojet engine as the test case. The dynamic modeling of the turbojet engine is obtained from the energy balance equations for compressor, combustor and turbine, as the engine's main parts. The transient analysis, which is based on appropriate modeling of engine and its main parts, expresses the dynamic behavior of the turbojet engine, and further, provides details regarding the engine's control. The aim of the dynamic analysis is to determine a control program for the turbojet, based on the results provided by performance analysis. In case of the single-spool turbojet engine, with fixed nozzle geometry, the thrust is controlled by one parameter, which is the fuel flow rate. The design and management of the aircraft engine controls are based on the results of the transient analysis. The construction of the design model is complex, since it is based on both steady-state and transient analysis, further allowing the flight path cycle analysis and optimizations. This paper presents numerical simulations for a single-spool turbojet engine (J85 as test case), with appropriate modeling for steady-state and dynamic analysis.

Erosion of tungsten armor after multiple intense transient events in ITER

NASA Astrophysics Data System (ADS)

Bazylev, B. N.; Janeschitz, G.; Landman, I. S.; Pestchanyi, S. E.

2005-03-01

Macroscopic erosion by melt motion is the dominating damage mechanism for tungsten armour under high-heat loads with energy deposition W > 1 MJ/m 2 and τ > 0.1 ms. For ITER divertor armour the results of a fluid dynamics simulation of the melt motion erosion after repetitive stochastically varying plasma heat loads of consecutive disruptions interspaced by ELMs are presented. The heat loads for particular single transient events are numerically simulated using the two-dimensional MHD code FOREV-2D. The whole melt motion is calculated by the fluid dynamics code MEMOS-1.5D. In addition for the ITER dome melt motion erosion of tungsten armour caused by the lateral radiation impact from the plasma shield at the disruption and ELM heat loads is estimated.

Programed dynamical ordering in self-organization processes of a nanocube: a molecular dynamics study.

PubMed

Harada, Ryuhei; Mashiko, Takako; Tachikawa, Masanori; Hiraoka, Shuichi; Shigeta, Yasuteru

2018-04-04

Self-organization processes of a gear-shaped amphiphile molecule (1) to form a hexameric structure (nanocube, 16) were inferred from sequential dissociation processes by using molecular dynamics (MD) simulations. Our MD study unveiled that programed dynamic ordering exists in the dissociation processes of 16. According to the dissociation processes, it is proposed that triple π-stacking among three 3-pyridyl groups and other weak molecular interactions such as CH-π and van der Waals interactions, some of which arise from the solvophobic effect, were sequentially formed in stable and transient oligomeric states in the self-organization processes, i.e.12, 13, 14, and 15. By subsequent analyses on structural stabilities, it was found that 13 and 14 are stable intermediate oligomers, whereas 12 and 15 are transient ones. Thus, the formation of 13 from three monomers and of 16 from 14 and two monomers via corresponding transients is time consuming in the self-assembly process.

Producing coherent excitations in pumped Mott antiferromagnetic insulators

DOE PAGES

Wang, Yao; Claassen, Martin; Moritz, B.; ...

2017-12-15

Nonequilibrium dynamics in correlated materials has attracted attention due to the possibility of characterizing, tuning, and creating complex ordered states. To understand the photoinduced microscopic dynamics, especially the linkage under realistic pump conditions between transient states and remnant elementary excitations, we performed nonperturbative simulations of various time-resolved spectroscopies. We used the Mott antiferromagnetic insulator as a model platform. The transient dynamics of multi-particle excitations can be attributed to the interplay between Floquet virtual states and a modification of the density of states, in which interactions induce a spectral weight transfer. Using an autocorrelation of the time-dependent spectral function, we showmore » that resonance of the virtual states with the upper Hubbard band in the Mott insulator provides the route towards manipulating the electronic distribution and modifying charge and spin excitations. In conclusion, our results link transient dynamics to the nature of many-body excitations and provide an opportunity to design nonequilibrium states of matter via tuned laser pulses.« less

A simple dynamic engine model for use in a real-time aircraft simulation with thrust vectoring

NASA Technical Reports Server (NTRS)

Johnson, Steven A.

1990-01-01

A simple dynamic engine model was developed at the NASA Ames Research Center, Dryden Flight Research Facility, for use in thrust vectoring control law development and real-time aircraft simulation. The simple dynamic engine model of the F404-GE-400 engine (General Electric, Lynn, Massachusetts) operates within the aircraft simulator. It was developed using tabular data generated from a complete nonlinear dynamic engine model supplied by the manufacturer. Engine dynamics were simulated using a throttle rate limiter and low-pass filter. Included is a description of a method to account for axial thrust loss resulting from thrust vectoring. In addition, the development of the simple dynamic engine model and its incorporation into the F-18 high alpha research vehicle (HARV) thrust vectoring simulation. The simple dynamic engine model was evaluated at Mach 0.2, 35,000 ft altitude and at Mach 0.7, 35,000 ft altitude. The simple dynamic engine model is within 3 percent of the steady state response, and within 25 percent of the transient response of the complete nonlinear dynamic engine model.

FGOALS-s2 simulation of upper-level jet streams over East Asia: Mean state bias and synoptic-scale transient eddy activity

NASA Astrophysics Data System (ADS)

Song, Fengfei; Zhou, Tianjun

2013-05-01

Upper-level jet streams over East Asia simulated by the LASG/IAP coupled climate system model FGOALS-s2 were assessed, and the mean state bias explained in terms of synoptic-scale transient eddy activity (STEA). The results showed that the spatial distribution of the seasonal mean jet stream was reproduced well by the model, except that following a weaker meridional temperature gradient (MTG), the intensity of the jet stream was weaker than in National Centers for Environment Prediction (NCEP)/Department of Energy Atmospheric Model Inter-comparison Project II reanalysis data (NCEP2). Based on daily mean data, the jet core number was counted to identify the geographical border between the East Asian Subtropical Jet (EASJ) and the East Asian Polar-front Jet (EAPJ). The border is located over the Tibetan Plateau according to NCEP2 data, but was not evident in FGOALS-s2 simulations. The seasonal cycles of the jet streams were found to be reasonably reproduced, except that they shifted northward relative to reanalysis data in boreal summer owing to the northward shift of negative MTGs. To identify the reasons for mean state bias, the dynamical and thermal forcings of STEA on mean flow were examined with a focus on boreal winter. The dynamical and thermal forcings were estimated by extended Eliassen-Palm flux ( E) and transient heat flux, respectively. The results showed that the failure to reproduce the tripolar-pattern of the divergence of E over the jet regions led to an unsuccessful separation of the EASJ and EAPJ, while dynamical forcing contributed less to the weaker EASJ. In contrast, the weaker transient heat flux partly explained the weaker EASJ over the ocean.

Application of the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) for Dynamic Systems Analysis

NASA Technical Reports Server (NTRS)

Csank, Jeffrey; Zinnecker, Alicia

2014-01-01

Systems analysis involves steady-state simulations of combined components to evaluate the steady-state performance, weight, and cost of a system; dynamic considerations are not included until later in the design process. The Dynamic Systems Analysis task, under NASAs Fixed Wing project, is developing the capability for assessing dynamic issues at earlier stages during systems analysis. To provide this capability the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) has been developed to design a single flight condition controller (defined as altitude and Mach number) and, ultimately, provide an estimate of the closed-loop performance of the engine model. This tool has been integrated with the Commercial Modular Aero-Propulsion System Simulation 40,000(CMAPSS40k) engine model to demonstrate the additional information TTECTrA makes available for dynamic systems analysis. This dynamic data can be used to evaluate the trade-off between performance and safety, which could not be done with steady-state systems analysis data. TTECTrA has been designed to integrate with any turbine engine model that is compatible with the MATLABSimulink (The MathWorks, Inc.) environment.

Application of the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) for Dynamic Systems Analysis

NASA Technical Reports Server (NTRS)

Csank, Jeffrey Thomas; Zinnecker, Alicia Mae

2014-01-01

Systems analysis involves steady-state simulations of combined components to evaluate the steady-state performance, weight, and cost of a system; dynamic considerations are not included until later in the design process. The Dynamic Systems Analysis task, under NASAs Fixed Wing project, is developing the capability for assessing dynamic issues at earlier stages during systems analysis. To provide this capability the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) has been developed to design a single flight condition controller (defined as altitude and Mach number) and, ultimately, provide an estimate of the closed-loop performance of the engine model. This tool has been integrated with the Commercial Modular Aero-Propulsion System Simulation 40,000 (CMAPSS 40k) engine model to demonstrate the additional information TTECTrA makes available for dynamic systems analysis. This dynamic data can be used to evaluate the trade-off between performance and safety, which could not be done with steady-state systems analysis data. TTECTrA has been designed to integrate with any turbine engine model that is compatible with the MATLAB Simulink (The MathWorks, Inc.) environment.

The influence of tyre transient side force properties on vehicle lateral acceleration for a time-varying vertical force

NASA Astrophysics Data System (ADS)

Takahashi, Toshimichi

2018-05-01

The tyre model which formerly developed by the author et al. and describes the tyre transient responses of side force and aligning moment under the time-varying vertical force was implemented to the vehicle dynamics simulation software and the influence of tyre side force transient property on the vehicle behaviour was investigated. The vehicle responses with/without tyre transient property on sinusoidally undulated road surfaces were simulated and compared. It was found that the average lateral acceleration of the vehicle at the sinusoidal steering wheel angle input decreases on the undulated road of long wavelength (3 m) for both cases, but when the wavelength becomes shorter (1 m), the average lateral acceleration increases only in the case that the transient property is considered. The cause of those changes is explained by using the tyre-related variables. Also the steady-state turning behaviour of the vehicle on undulated roads are shown and discussed.

Tool for the Integrated Dynamic Numerical Propulsion System Simulation (NPSS)/Turbine Engine Closed-Loop Transient Analysis (TTECTrA) User's Guide

NASA Technical Reports Server (NTRS)

Chin, Jeffrey C.; Csank, Jeffrey T.

2016-01-01

The Tool for Turbine Engine Closed-Loop Transient Analysis (TTECTrA ver2) is a control design tool thatenables preliminary estimation of transient performance for models without requiring a full nonlinear controller to bedesigned. The program is compatible with subsonic engine models implemented in the MATLAB/Simulink (TheMathworks, Inc.) environment and Numerical Propulsion System Simulation (NPSS) framework. At a specified flightcondition, TTECTrA will design a closed-loop controller meeting user-defined requirements in a semi or fully automatedfashion. Multiple specifications may be provided, in which case TTECTrA will design one controller for each, producing acollection of controllers in a single run. Each resulting controller contains a setpoint map, a schedule of setpointcontroller gains, and limiters; all contributing to transient characteristics. The goal of the program is to providesteady-state engine designers with more immediate feedback on the transient engine performance earlier in the design cycle.

Integrated Turbine-Based Combined Cycle Dynamic Simulation Model

NASA Technical Reports Server (NTRS)

Haid, Daniel A.; Gamble, Eric J.

2011-01-01

A Turbine-Based Combined Cycle (TBCC) dynamic simulation model has been developed to demonstrate all modes of operation, including mode transition, for a turbine-based combined cycle propulsion system. The High Mach Transient Engine Cycle Code (HiTECC) is a highly integrated tool comprised of modules for modeling each of the TBCC systems whose interactions and controllability affect the TBCC propulsion system thrust and operability during its modes of operation. By structuring the simulation modeling tools around the major TBCC functional modes of operation (Dry Turbojet, Afterburning Turbojet, Transition, and Dual Mode Scramjet) the TBCC mode transition and all necessary intermediate events over its entire mission may be developed, modeled, and validated. The reported work details the use of the completed model to simulate a TBCC propulsion system as it accelerates from Mach 2.5, through mode transition, to Mach 7. The completion of this model and its subsequent use to simulate TBCC mode transition significantly extends the state-of-the-art for all TBCC modes of operation by providing a numerical simulation of the systems, interactions, and transient responses affecting the ability of the propulsion system to transition from turbine-based to ramjet/scramjet-based propulsion while maintaining constant thrust.

Optimal generalized multistep integration formulae for real-time digital simulation

NASA Technical Reports Server (NTRS)

Moerder, D. D.; Halyo, N.

1985-01-01

The problem of discretizing a dynamical system for real-time digital simulation is considered. Treating the system and its simulation as stochastic processes leads to a statistical characterization of simulator fidelity. A plant discretization procedure based on an efficient matrix generalization of explicit linear multistep discrete integration formulae is introduced, which minimizes a weighted sum of the mean squared steady-state and transient error between the system and simulator outputs.

Diffusive molecular dynamics simulations of lithiation of silicon nanopillars

NASA Astrophysics Data System (ADS)

Mendez, J. P.; Ponga, M.; Ortiz, M.

2018-06-01

We report diffusive molecular dynamics simulations concerned with the lithiation of Si nano-pillars, i.e., nano-sized Si rods held at both ends by rigid supports. The duration of the lithiation process is of the order of milliseconds, well outside the range of molecular dynamics but readily accessible to diffusive molecular dynamics. The simulations predict an alloy Li15Si4 at the fully lithiated phase, exceedingly large and transient volume increments up to 300% due to the weakening of Sisbnd Si iterations, a crystalline-to-amorphous-to-lithiation phase transition governed by interface kinetics, high misfit strains and residual stresses resulting in surface cracks and severe structural degradation in the form of extensive porosity, among other effects.

Discrete tyre model application for evaluation of vehicle limit handling performance

NASA Astrophysics Data System (ADS)

Siramdasu, Y.; Taheri, S.

2016-11-01

The goal of this study is twofold, first, to understand the transient and nonlinear effects of anti-lock braking systems (ABS), road undulations and driving dynamics on lateral performance of tyre and second, to develop objective handling manoeuvres and respective metrics to characterise these effects on vehicle behaviour. For studying the transient and nonlinear handling performance of the vehicle, the variations of relaxation length of tyre and tyre inertial properties play significant roles [Pacejka HB. Tire and vehicle dynamics. 3rd ed. Butterworth-Heinemann; 2012]. To accurately simulate these nonlinear effects during high-frequency vehicle dynamic manoeuvres, requires a high-frequency dynamic tyre model (? Hz). A 6 DOF dynamic tyre model integrated with enveloping model is developed and validated using fixed axle high-speed oblique cleat experimental data. Commercially available vehicle dynamics software CarSim® is used for vehicle simulation. The vehicle model was validated by comparing simulation results with experimental sinusoidal steering tests. The validated tyre model is then integrated with vehicle model and a commercial grade rule-based ABS model to perform various objective simulations. Two test scenarios of ABS braking in turn on a smooth road and accelerating in a turn on uneven and smooth roads are considered. Both test cases reiterated that while the tyre is operating in the nonlinear region of slip or slip angle, any road disturbance or high-frequency brake torque input variations can excite the inertial belt vibrations of the tyre. It is shown that these inertial vibrations can directly affect the developed performance metrics and potentially degrade the handling performance of the vehicle.

Global dynamic modeling of a transmission system

NASA Technical Reports Server (NTRS)

Choy, F. K.; Qian, W.

1993-01-01

The work performed on global dynamic simulation and noise correlation of gear transmission systems at the University of Akron is outlined. The objective is to develop a comprehensive procedure to simulate the dynamics of the gear transmission system coupled with the effects of gear box vibrations. The developed numerical model is benchmarked with results from experimental tests at NASA Lewis Research Center. The modal synthesis approach is used to develop the global transient vibration analysis procedure used in the model. Modal dynamic characteristics of the rotor-gear-bearing system are calculated by the matrix transfer method while those of the gear box are evaluated by the finite element method (NASTRAN). A three-dimensional, axial-lateral coupled bearing model is used to couple the rotor vibrations with the gear box motion. The vibrations between the individual rotor systems are coupled through the nonlinear gear mesh interactions. The global equations of motion are solved in modal coordinates and the transient vibration of the system is evaluated by a variable time-stepping integration scheme. The relationship between housing vibration and resulting noise of the gear transmission system is generated by linear transfer functions using experimental data. A nonlinear relationship of the noise components to the fundamental mesh frequency is developed using the hypercoherence function. The numerically simulated vibrations and predicted noise of the gear transmission system are compared with the experimental results from the gear noise test rig at NASA Lewis Research Center. Results of the comparison indicate that the global dynamic model developed can accurately simulate the dynamics of a gear transmission system.

Simulation of IST Turbomachinery Power-Neutral Tests with the ANL Plant Dynamics Code

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

Moisseytsev, A.; Sienicki, J. J.

The validation of the Plant Dynamics Code (PDC) developed at Argonne National Laboratory (ANL) for the steady-state and transient analysis of supercritical carbon dioxide (sCO2) systems has been continued with new test data from the Naval Nuclear Laboratory (operated by Bechtel Marine Propulsion Corporation) Integrated System Test (IST). Although data from three runs were provided to ANL, only two of the data sets were analyzed and described in this report. The common feature of these tests is the power-neutral operation of the turbine-compressor shaft, where no external power through the alternator was provided during the tests. Instead, the shaft speedmore » was allowed to change dictated by the power balance between the turbine, the compressor, and the power losses in the shaft. The new test data turned out to be important for code validation for several reasons. First, the power-neutral operation of the shaft allows validation of the shaft dynamics equations in asynchronous mode, when the shaft is disconnected from the grid. Second, the shaft speed control with the compressor recirculation (CR) valve not only allows for testing the code control logic itself, but it also serves as a good test for validation of both the compressor surge control and the turbine bypass control actions, since the effect of the CR action on the loop conditions is similar for both of these controls. Third, the varying compressor-inlet temperature change test allows validation of the transient response of the precooler, a shell-and-tube heat exchanger. The first transient simulation of the compressor-inlet temperature variation Test 64661 showed a much slower calculated response of the precooler in the calculations than the test data. Further investigation revealed an error in calculating the heat exchanger tube mass for the PDC dynamic equations that resulted in a slower change in the tube wall temperature than measured. The transient calculations for both tests were done in two steps. The first step was done in the same fashion as the FY15 IST analysis, where the CR valve position and the turbine-compressor shaft speed were specified through the PDC input based on the test values. On the second step, the turbine-compressor shaft dynamics equations were invoked by specifying that the shaft is disconnected from the grid. In addition, the CR valve control was used to control the shaft speed, based on the turbine bypass control logic already implemented in the PDC. For the shaft power balance, the friction (windage) loss is calculated based on the shaft balance at the steady-state conditions and is assumed to be scaled to the third power of shaft speed in the transient. Both the steady-state and transient simulations of both tests showed good agreement with the test data. The only significant difference was the turbine performance, which was not predicted as well as it was in the previous IST simulation, resulting in the prediction of a somewhat different flow split between the two turbines. This flow split difference is believed to be the result of not addressing the recent turbine modifications in the model. In addition, the full simulation of the turbine-compressor speed variation Test 65261-P with shaft speed control showed greater a difference with the test data later in the transient than the other test. Further analysis of the results revealed that this difference is most likely due to scaling the shaft windage losses only with the shaft speed and ignoring its dependency on the fluid density in the shaft cavity. Based on the results of steady state and transient calculations of the Tests 64661 and 65216-P, several areas of future improvements for the PDC simulation of the IST are identified.« less

Floquet-Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

NASA Astrophysics Data System (ADS)

Kuwahara, Tomotaka; Mori, Takashi; Saito, Keiji

2016-04-01

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet-Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems.

Kinetic Monte Carlo simulations of nucleation and growth in electrodeposition.

PubMed

Guo, Lian; Radisic, Aleksandar; Searson, Peter C

2005-12-22

Nucleation and growth during bulk electrodeposition is studied using kinetic Monte Carlo (KMC) simulations. Ion transport in solution is modeled using Brownian dynamics, and the kinetics of nucleation and growth are dependent on the probabilities of metal-on-substrate and metal-on-metal deposition. Using this approach, we make no assumptions about the nucleation rate, island density, or island distribution. The influence of the attachment probabilities and concentration on the time-dependent island density and current transients is reported. Various models have been assessed by recovering the nucleation rate and island density from the current-time transients.

Dynamic Systems Analysis for Turbine Based Aero Propulsion Systems

NASA Technical Reports Server (NTRS)

Csank, Jeffrey T.

2016-01-01

The aircraft engine design process seeks to optimize the overall system-level performance, weight, and cost for a given concept. Steady-state simulations and data are used to identify trade-offs that should be balanced to optimize the system in a process known as systems analysis. These systems analysis simulations and data may not adequately capture the true performance trade-offs that exist during transient operation. Dynamic systems analysis provides the capability for assessing the dynamic tradeoffs at an earlier stage of the engine design process. The dynamic systems analysis concept, developed tools, and potential benefit are presented in this paper. To provide this capability, the Tool for Turbine Engine Closed-loop Transient Analysis (TTECTrA) was developed to provide the user with an estimate of the closed-loop performance (response time) and operability (high pressure compressor surge margin) for a given engine design and set of control design requirements. TTECTrA along with engine deterioration information, can be used to develop a more generic relationship between performance and operability that can impact the engine design constraints and potentially lead to a more efficient engine.

Intrinsic noise analysis and stochastic simulation on transforming growth factor beta signal pathway

NASA Astrophysics Data System (ADS)

Wang, Lu; Ouyang, Qi

2010-10-01

A typical biological cell lives in a small volume at room temperature; the noise effect on the cell signal transduction pathway may play an important role in its dynamics. Here, using the transforming growth factor-β signal transduction pathway as an example, we report our stochastic simulations of the dynamics of the pathway and introduce a linear noise approximation method to calculate the transient intrinsic noise of pathway components. We compare the numerical solutions of the linear noise approximation with the statistic results of chemical Langevin equations, and find that they are quantitatively in agreement with the other. When transforming growth factor-β dose decreases to a low level, the time evolution of noise fluctuation of nuclear Smad2—Smad4 complex indicates the abnormal enhancement in the transient signal activation process.

Electron and lattice dynamics of transition metal thin films observed by ultrafast electron diffraction and transient optical measurements.

PubMed

Nakamura, A; Shimojima, T; Nakano, M; Iwasa, Y; Ishizaka, K

2016-11-01

We report the ultrafast dynamics of electrons and lattice in transition metal thin films (Au, Cu, and Mo) investigated by a combination of ultrafast electron diffraction (UED) and pump-probe optical methods. For a single-crystalline Au thin film, we observe the suppression of the diffraction intensity occuring in 10 ps, which direcly reflects the lattice thermalization via the electron-phonon interaction. By using the two-temperature model, the electron-phonon coupling constant ( g ) and the electron and lattice temperatures ( T e , T l ) are evaluated from UED, with which we simulate the transient optical transmittance. The simulation well agrees with the experimentally obtained transmittance data, except for the slight deviations at the initial photoexcitation and the relaxed quasi-equilibrium state. We also present the results similarly obtained for polycrystalline Au, Cu, and Mo thin films and demonstrate the electron and lattice dynamics occurring in metals with different electron-phonon coupling strengths.

Xyce

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

Thomquist, Heidi K.; Fixel, Deborah A.; Fett, David Brian

The Xyce Parallel Electronic Simulator simulates electronic circuit behavior in DC, AC, HB, MPDE and transient mode using standard analog (DAE) and/or device (PDE) device models including several age and radiation aware devices. It supports a variety of computing platforms (both serial and parallel) computers. Lastly, it uses a variety of modern solution algorithms dynamic parallel load-balancing and iterative solvers.

Simulations of transient membrane behavior in cells subjected to a high-intensity ultrashort electric pulse.

PubMed

Hu, Q; Viswanadham, S; Joshi, R P; Schoenbach, K H; Beebe, S J; Blackmore, P F

2005-03-01

A molecular dynamics (MD) scheme is combined with a distributed circuit model for a self-consistent analysis of the transient membrane response for cells subjected to an ultrashort (nanosecond) high-intensity (approximately 0.01-V/nm spatially averaged field) voltage pulse. The dynamical, stochastic, many-body aspects are treated at the molecular level by resorting to a course-grained representation of the membrane lipid molecules. Coupling the Smoluchowski equation to the distributed electrical model for current flow provides the time-dependent transmembrane fields for the MD simulations. A good match between the simulation results and available experimental data is obtained. Predictions include pore formation times of about 5-6 ns. It is also shown that the pore formation process would tend to begin from the anodic side of an electrically stressed membrane. Furthermore, the present simulations demonstrate that ions could facilitate pore formation. This could be of practical importance and have direct relevance to the recent observations of calcium release from the endoplasmic reticulum in cells subjected to such ultrashort, high-intensity pulses.

What induces pocket openings on protein surface patches involved in protein-protein interactions?

PubMed

Eyrisch, Susanne; Helms, Volkhard

2009-02-01

We previously showed for the proteins BCL-X(L), IL-2, and MDM2 that transient pockets at their protein-protein binding interfaces can be identified by applying the PASS algorithm to molecular dynamics (MD) snapshots. We now investigated which aspects of the natural conformational dynamics of proteins induce the formation of such pockets. The pocket detection protocol was applied to three different conformational ensembles for the same proteins that were extracted from MD simulations of the inhibitor bound crystal conformation in water and the free crystal/NMR structure in water and in methanol. Additional MD simulations studied the impact of backbone mobility. The more efficient CONCOORD or normal mode analysis (NMA) techniques gave significantly smaller pockets than MD simulations, whereas tCONCOORD generated pockets comparable to those observed in MD simulations for two of the three systems. Our findings emphasize the influence of solvent polarity and backbone rearrangements on the formation of pockets on protein surfaces and should be helpful in future generation of transient pockets as putative ligand binding sites at protein-protein interfaces.

What induces pocket openings on protein surface patches involved in protein-protein interactions?

NASA Astrophysics Data System (ADS)

Eyrisch, Susanne; Helms, Volkhard

2009-02-01

We previously showed for the proteins BCL-XL, IL-2, and MDM2 that transient pockets at their protein-protein binding interfaces can be identified by applying the PASS algorithm to molecular dynamics (MD) snapshots. We now investigated which aspects of the natural conformational dynamics of proteins induce the formation of such pockets. The pocket detection protocol was applied to three different conformational ensembles for the same proteins that were extracted from MD simulations of the inhibitor bound crystal conformation in water and the free crystal/NMR structure in water and in methanol. Additional MD simulations studied the impact of backbone mobility. The more efficient CONCOORD or normal mode analysis (NMA) techniques gave significantly smaller pockets than MD simulations, whereas tCONCOORD generated pockets comparable to those observed in MD simulations for two of the three systems. Our findings emphasize the influence of solvent polarity and backbone rearrangements on the formation of pockets on protein surfaces and should be helpful in future generation of transient pockets as putative ligand binding sites at protein-protein interfaces.

Dynamic Simulation of a Periodic 10 K Sorption Cryocooler

NASA Technical Reports Server (NTRS)

Bhandari, P.; Rodriguez, J.; Bard, S.; Wade, L.

1994-01-01

A transient thermal simulation model has been developed to simulate the dynamic performance of a multiple-stage 10 K sorption cryocooler for spacecraft sensor cooling applications that require periodic quick-cooldown (under 2 minutes) , negligible vibration, low power consumption, and long life (5 to 10 years). The model was specifically designed to represent the Brilliant Eyes Ten-Kelvin Sorption Cryocooler Experiment (BETSCE), but it can be adapted to represent other sorption cryocooler systems as well. The model simulates the heat transfer, mass transfer, and thermodynamic processes in the cryostat and the sorbent beds for the entire refrigeration cycle, and includes the transient effects of variable hydrogen supply pressures due to expansion and overflow of hydrogen during the cooldown operation. The paper describes model limitations and simplifying assumptions, with estimates of errors induced by them, and presents comparisons of performance predictions with ground experiments. An important benefit of the model is its ability to predict performance sensitivities to variations of key design and operational parameters. The insights thus obtained are expected to lead to higher efficiencies and lower weights for future designs.

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 -.

Dynamic simulation of 10 kW Brayton cryocooler for HTS cable

NASA Astrophysics Data System (ADS)

Chang, Ho-Myung; Park, Chan Woo; Yang, Hyung Suk; Hwang, Si Dole

2014-01-01

Dynamic simulation of a Brayton cryocooler is presented as a partial effort of a Korean governmental project to develop 1˜3 km HTS cable systems at transmission level in Jeju Island. Thermodynamic design of a 10 kW Brayton cryocooler was completed, and a prototype construction is underway with a basis of steady-state operation. This study is the next step to investigate the transient behavior of cryocooler for two purposes. The first is to simulate and design the cool-down process after scheduled or unscheduled stoppage. The second is to predict the transient behavior following the variation of external conditions such as cryogenic load or outdoor temperature. The detailed specifications of key components, including plate-fin heat exchangers and cryogenic turbo-expanders are incorporated into a commercial software (Aspen HYSYS) to estimate the temporal change of temperature and flow rate over the cryocooler. An initial cool-down scenario and some examples on daily variation of cryocooler are presented and discussed, aiming at stable control schemes of a long cable system.

Analysis of internal flows relative to the space shuttle main engine

NASA Technical Reports Server (NTRS)

1987-01-01

Cooperative efforts between the Lockheed-Huntsville Computational Mechanics Group and the NASA-MSFC Computational Fluid Dynamics staff has resulted in improved capabilities for numerically simulating incompressible flows generic to the Space Shuttle Main Engine (SSME). A well established and documented CFD code was obtained, modified, and applied to laminar and turbulent flows of the type occurring in the SSME Hot Gas Manifold. The INS3D code was installed on the NASA-MSFC CRAY-XMP computer system and is currently being used by NASA engineers. Studies to perform a transient analysis of the FPB were conducted. The COBRA/TRAC code is recommended for simulating the transient flow of oxygen into the LOX manifold. Property data for modifying the code to represent LOX/GOX flow was collected. The ALFA code was developed and recommended for representing the transient combustion in the preburner. These two codes will couple through the transient boundary conditions to simulate the startup and/or shutdown of the fuel preburner. A study, NAS8-37461, is currently being conducted to implement this modeling effort.

Reduced-Order Aerothermoelastic Analysis of Hypersonic Vehicle Structures

NASA Astrophysics Data System (ADS)

Falkiewicz, Nathan J.

Design and simulation of hypersonic vehicles require consideration of a variety of disciplines due to the highly coupled nature of the flight regime. In order to capture all of the potential effects on vehicle dynamics, one must consider the aerodynamics, aerodynamic heating, heat transfer, and structural dynamics as well as the interactions between these disciplines. The problem is further complicated by the large computational expense involved in capturing all of these effects and their interactions in a full-order sense. While high-fidelity modeling techniques exist for each of these disciplines, the use of such techniques is computationally infeasible in a vehicle design and control system simulation setting for such a highly coupled problem. Early in the design stage, many iterations of analyses may need to be carried out as the vehicle design matures, thus requiring quick analysis turnaround time. Additionally, the number of states used in the analyses must be small enough to allow for efficient control simulation and design. As a result, alternatives to full-order models must be considered. This dissertation presents a fully coupled, reduced-order aerothermoelastic framework for the modeling and analysis of hypersonic vehicle structures. The reduced-order transient thermal solution is a modal solution based on the proper orthogonal decomposition. The reduced-order structural dynamic model is based on projection of the equations of motion onto a Ritz modal subspace that is identified a priori. The reduced-order models are assembled into a time-domain aerothermoelastic simulation framework which uses a partitioned time-marching scheme to account for the disparate time scales of the associated physics. The aerothermoelastic modeling framework is outlined and the formulations associated with the unsteady aerodynamics, aerodynamic heating, transient thermal, and structural dynamics are outlined. Results demonstrate the accuracy of the reduced-order transient thermal and structural dynamic models under variation in boundary conditions and flight conditions. The framework is applied to representative hypersonic vehicle control surface structures and a variety of studies are conducted to assess the impact of aerothermoelastic effects on hypersonic vehicle dynamics. The results presented in this dissertation demonstrate the ability of the proposed framework to perform efficient aerothermoelastic analysis.

SIERRA - A 3-D device simulator for reliability modeling

NASA Astrophysics Data System (ADS)

Chern, Jue-Hsien; Arledge, Lawrence A., Jr.; Yang, Ping; Maeda, John T.

1989-05-01

SIERRA is a three-dimensional general-purpose semiconductor-device simulation program which serves as a foundation for investigating integrated-circuit (IC) device and reliability issues. This program solves the Poisson and continuity equations in silicon under dc, transient, and small-signal conditions. Executing on a vector/parallel minisupercomputer, SIERRA utilizes a matrix solver which uses an incomplete LU (ILU) preconditioned conjugate gradient square (CGS, BCG) method. The ILU-CGS method provides a good compromise between memory size and convergence rate. The authors have observed a 5x to 7x speedup over standard direct methods in simulations of transient problems containing highly coupled Poisson and continuity equations such as those found in reliability-oriented simulations. The application of SIERRA to parasitic CMOS latchup and dynamic random-access memory single-event-upset studies is described.

Generation of linear dynamic models from a digital nonlinear simulation

NASA Technical Reports Server (NTRS)

Daniele, C. J.; Krosel, S. M.

1979-01-01

The results and methodology used to derive linear models from a nonlinear simulation are presented. It is shown that averaged positive and negative perturbations in the state variables can reduce numerical errors in finite difference, partial derivative approximations and, in the control inputs, can better approximate the system response in both directions about the operating point. Both explicit and implicit formulations are addressed. Linear models are derived for the F 100 engine, and comparisons of transients are made with the nonlinear simulation. The problem of startup transients in the nonlinear simulation in making these comparisons is addressed. Also, reduction of the linear models is investigated using the modal and normal techniques. Reduced-order models of the F 100 are derived and compared with the full-state models.

Dynamics of internal models in game players

NASA Astrophysics Data System (ADS)

Taiji, Makoto; Ikegami, Takashi

1999-10-01

A new approach for the study of social games and communications is proposed. Games are simulated between cognitive players who build the opponent’s internal model and decide their next strategy from predictions based on the model. In this paper, internal models are constructed by the recurrent neural network (RNN), and the iterated prisoner’s dilemma game is performed. The RNN allows us to express the internal model in a geometrical shape. The complicated transients of actions are observed before the stable mutually defecting equilibrium is reached. During the transients, the model shape also becomes complicated and often experiences chaotic changes. These new chaotic dynamics of internal models reflect the dynamical and high-dimensional rugged landscape of the internal model space.

Floquet–Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

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

Kuwahara, Tomotaka, E-mail: tomotaka.phys@gmail.com; WPI, Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577; Mori, Takashi

2016-04-15

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet–Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian onmore » the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems. -- Highlights: •A general framework to describe transient dynamics for periodically driven systems. •The theory is applicable to generic quantum many-body systems including long-range interacting systems. •Physical meaning of the truncation of the Floquet–Magnus expansion is rigorously established. •New mechanism of the prethermalization is proposed. •Revealing an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed.« less

Dynamic detailed model of a molten salt tower receiver, with ThermoSysPro library: Impacts of several failures or operational transients on the receiver dynamic behavior

NASA Astrophysics Data System (ADS)

Hefni, Baligh El; Bourdil, Charles

2017-06-01

Molten salt technology represents nowadays the most cost-effective technology for electricity generation for solar power plant. The molten salt tower receiver is based on a field of individually sun-tracking mirrors (heliostats) that reflect the incident sunshine to a receiver at the top of a centrally located tower. The objective of this study is to assess the impact of several transients issued from different scenarios (failure or normal operation mode) on the receiver dynamic behavior. A dynamic detailed model of Solar Two molten salt central receiver has been developed. The component model is meant to be used for receiver modeling with the ThermoSysPro library, developed by EDF. The paper also gives the results of the dynamic simulation for the selected scenarios on Solar Two receiver.

Real-time co-simulation of adjustable-speed pumped storage hydro for transient stability analysis

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

Mohanpurkar, Manish; Ouroua, Abdelhamid; Hovsapian, Rob

Pumped storage hydro (PSH) based generation of electricity is a proven grid level storage technique. A new configuration i.e., adjustable speed PSH (AS-PSH) power plant is modeled and discussed in this paper. Hydrodynamic models are created using partial differential equations and the governor topology adopted from an existing, operational AS-PSH unit. Physics-based simulation of both hydrodynamics and power system dynamics has been studied individually in the past. This article demonstrates a co-simulation of an AS-PSH unit between penstock hydrodynamics and power system events in a real-time environment. Co-simulation provides an insight into the dynamic and transient operation of AS-PSH connectedmore » to a bulk power system network. The two modes of AS-PSH operation presented in this paper are turbine and pump modes. A general philosophy of operating in turbine mode is prevalent in the field when the prices of electricity are high and in the pumping mode when prices are low. However, recently there is renewed interest in operating PSH to also provide ancillary services. A real-time co-simulation at sub-second regime of AS-PSH connected to the IEEE 14 bus test system is performed using digital real-time simulator and the results are discussed.« less

Real-time co-simulation of adjustable-speed pumped storage hydro for transient stability analysis

DOE PAGES

Mohanpurkar, Manish; Ouroua, Abdelhamid; Hovsapian, Rob; ...

2017-09-12

Pumped storage hydro (PSH) based generation of electricity is a proven grid level storage technique. A new configuration i.e., adjustable speed PSH (AS-PSH) power plant is modeled and discussed in this paper. Hydrodynamic models are created using partial differential equations and the governor topology adopted from an existing, operational AS-PSH unit. Physics-based simulation of both hydrodynamics and power system dynamics has been studied individually in the past. This article demonstrates a co-simulation of an AS-PSH unit between penstock hydrodynamics and power system events in a real-time environment. Co-simulation provides an insight into the dynamic and transient operation of AS-PSH connectedmore » to a bulk power system network. The two modes of AS-PSH operation presented in this paper are turbine and pump modes. A general philosophy of operating in turbine mode is prevalent in the field when the prices of electricity are high and in the pumping mode when prices are low. However, recently there is renewed interest in operating PSH to also provide ancillary services. A real-time co-simulation at sub-second regime of AS-PSH connected to the IEEE 14 bus test system is performed using digital real-time simulator and the results are discussed.« less

Gypsies in the palace: Experimentalist's view on the use of 3-D physics-based simulation of hillslope hydrological response

USGS Publications Warehouse

James, A.L.; McDonnell, Jeffery J.; Tromp-Van Meerveld, I.; Peters, N.E.

2010-01-01

As a fundamental unit of the landscape, hillslopes are studied for their retention and release of water and nutrients across a wide range of ecosystems. The understanding of these near-surface processes is relevant to issues of runoff generation, groundwater-surface water interactions, catchment export of nutrients, dissolved organic carbon, contaminants (e.g. mercury) and ultimately surface water health. We develop a 3-D physics-based representation of the Panola Mountain Research Watershed experimental hillslope using the TOUGH2 sub-surface flow and transport simulator. A recent investigation of sub-surface flow within this experimental hillslope has generated important knowledge of threshold rainfall-runoff response and its relation to patterns of transient water table development. This work has identified components of the 3-D sub-surface, such as bedrock topography, that contribute to changing connectivity in saturated zones and the generation of sub-surface stormflow. Here, we test the ability of a 3-D hillslope model (both calibrated and uncalibrated) to simulate forested hillslope rainfall-runoff response and internal transient sub-surface stormflow dynamics. We also provide a transparent illustration of physics-based model development, issues of parameterization, examples of model rejection and usefulness of data types (e.g. runoff, mean soil moisture and transient water table depth) to the model enterprise. Our simulations show the inability of an uncalibrated model based on laboratory and field characterization of soil properties and topography to successfully simulate the integrated hydrological response or the distributed water table within the soil profile. Although not an uncommon result, the failure of the field-based characterized model to represent system behaviour is an important challenge that continues to vex scientists at many scales. We focus our attention particularly on examining the influence of bedrock permeability, soil anisotropy and drainable porosity on the development of patterns of transient groundwater and sub-surface flow. Internal dynamics of transient water table development prove to be essential in determining appropriate model parameterization. ?? 2010 John Wiley & Sons, Ltd.

The Avoidance of Saturation Limits in Magnetic Bearing Systems During Transient Excitation

NASA Technical Reports Server (NTRS)

Rutland, Neil K.; Keogh, Patrick S.; Burrows, Clifford R.

1996-01-01

When a transient event, such as mass loss, occurs in a rotor/magnetic bearing system, optimal vibration control forces may exceed bearing capabilities. This will be inevitable when the mass loss is sufficiently large and a conditionally unstable dynamic system could result if the bearing characteristic become non-linear. This paper provides a controller design procedure to suppress, where possible, bearing force demands below saturation levels while maintaining vibration control. It utilizes H(sub infinity) optimization with appropriate input and output weightings. Simulation of transient behavior following mass loss from a flexible rotor is used to demonstrate the avoidance of conditional instability. A compromise between transient control force and vibration levels was achieved.

Dynamic thermal signature prediction for real-time scene generation

NASA Astrophysics Data System (ADS)

Christie, Chad L.; Gouthas, Efthimios (Themie); Williams, Owen M.; Swierkowski, Leszek

2013-05-01

At DSTO, a real-time scene generation framework, VIRSuite, has been developed in recent years, within which trials data are predominantly used for modelling the radiometric properties of the simulated objects. Since in many cases the data are insufficient, a physics-based simulator capable of predicting the infrared signatures of objects and their backgrounds has been developed as a new VIRSuite module. It includes transient heat conduction within the materials, and boundary conditions that take into account the heat fluxes due to solar radiation, wind convection and radiative transfer. In this paper, an overview is presented, covering both the steady-state and transient performance.

Dynamic characteristics of motor-gear system under load saltations and voltage transients

NASA Astrophysics Data System (ADS)

Bai, Wenyu; Qin, Datong; Wang, Yawen; Lim, Teik C.

2018-02-01

In this paper, a dynamic model of a motor-gear system is proposed. The model combines a nonlinear permeance network model (PNM) of a squirrel-cage induction motor and a coupled lateral-torsional dynamic model of a planetary geared rotor system. The external excitations including voltage transients and load saltations, as well as the internal excitations such as spatial effects, magnetic circuits topology and material nonlinearity in the motor, and time-varying mesh stiffness and damping in the planetary gear system are considered in the proposed model. Then, the simulation results are compared with those predicted by the electromechanical model containing a dynamic motor model with constant inductances. The comparison showed that the electromechanical system model with the PNM motor model yields more reasonable results than the electromechanical system model with the lumped-parameter electric machine. It is observed that electromechanical coupling effect can induce additional and severe gear vibrations. In addition, the external conditions, especially the voltage transients, will dramatically affect the dynamic characteristics of the electromechanical system. Finally, some suggestions are offered based on this analysis for improving the performance and reliability of the electromechanical system.

Simulation Analysis of Helicopter Ground Resonance Nonlinear Dynamics

NASA Astrophysics Data System (ADS)

Zhu, Yan; Lu, Yu-hui; Ling, Ai-min

2017-07-01

In order to accurately predict the dynamic instability of helicopter ground resonance, a modeling and simulation method of helicopter ground resonance considering nonlinear dynamic characteristics of components (rotor lead-lag damper, landing gear wheel and absorber) is presented. The numerical integral method is used to calculate the transient responses of the body and rotor, simulating some disturbance. To obtain quantitative instabilities, Fast Fourier Transform (FFT) is conducted to estimate the modal frequencies, and the mobile rectangular window method is employed in the predictions of the modal damping in terms of the response time history. Simulation results show that ground resonance simulation test can exactly lead up the blade lead-lag regressing mode frequency, and the modal damping obtained according to attenuation curves are close to the test results. The simulation test results are in accordance with the actual accident situation, and prove the correctness of the simulation method. This analysis method used for ground resonance simulation test can give out the results according with real helicopter engineering tests.

Transient modeling in simulation of hospital operations for emergency response.

PubMed

Paul, Jomon Aliyas; George, Santhosh K; Yi, Pengfei; Lin, Li

2006-01-01

Rapid estimates of hospital capacity after an event that may cause a disaster can assist disaster-relief efforts. Due to the dynamics of hospitals, following such an event, it is necessary to accurately model the behavior of the system. A transient modeling approach using simulation and exponential functions is presented, along with its applications in an earthquake situation. The parameters of the exponential model are regressed using outputs from designed simulation experiments. The developed model is capable of representing transient, patient waiting times during a disaster. Most importantly, the modeling approach allows real-time capacity estimation of hospitals of various sizes and capabilities. Further, this research is an analysis of the effects of priority-based routing of patients within the hospital and the effects on patient waiting times determined using various patient mixes. The model guides the patients based on the severity of injuries and queues the patients requiring critical care depending on their remaining survivability time. The model also accounts the impact of prehospital transport time on patient waiting time.

Transient Spectra in TDDFT: Corrections and Correlations

NASA Astrophysics Data System (ADS)

Parkhill, John; Nguyen, Triet

We introduce an atomistic, all-electron, black-box electronic structure code to simulate transient absorption (TA) spectra and apply it to simulate pyrazole and a GFP chromophore derivative. The method is an application of OSCF2, our dissipative extension of time-dependent density functional theory. We compare our simulated spectra directly with recent ultra-fast spectroscopic experiments, showing that they are usefully predicted. We also relate bleaches in the TA signal to Fermi-blocking which would be missed in a simplified model. An important ingredient in the method is the stationary-TDDFT correction scheme recently put forwards by Fischer, Govind, and Cramer which allows us to overcome a limitation of adiabatic TDDFT. We demonstrate that OSCF2 is able to predict both the energies of bleaches and induced absorptions, as well as the decay of the transient spectrum, with only the molecular structure as input. With remaining time we will discuss corrections which resolve the non-resonant behavior of driven TDDFT, and correlated corrections to mean-field dynamics.

Analysis of the dynamic avalanche of carrier stored trench bipolar transistor (CSTBT) during clamped inductive turn-off transient

NASA Astrophysics Data System (ADS)

Xue, Peng; Fu, Guicui

2017-03-01

The dynamic avalanche has a huge impact on the switching robustness of carrier stored trench bipolar transistor (CSTBT). The purpose of this work is to investigate the CSTBT's dynamic avalanche mechanism during clamped inductive turn-off transient. At first, with a Mitsubishi 600 V/150 A CSTBT and a Infineon 600 V/200 A field stop insulated gate bipolar transistor (FS-IGBT) utilized, the clamped inductive turn-off characteristics are obtained by double pulse test. The unclamped inductive switching (UIS) test is also utilized to identify the CSTBT's clamping voltage under dynamic avalanche condition. After the test data analysis, it is found that the CSTBT's dynamic avalanche is abnormal and can be triggered under much looser condition than the conventional buffer layer IGBT. The comparison between the FS-IGBT and CSTBT's experimental results implies that the CSTBT's abnormal dynamic avalanche phenomenon may be induced by the carrier storage (CS) layer. Based on the semiconductor physics, the electric field distribution and dynamic avalanche generation in the depletion region are analyzed. The analysis confirms that the CS layer is the root cause of the CSTBT's abnormal dynamic avalanche mechanism. Moreover, the CSTBT's negative gate capacitance effect is also investigated to clarify the underlying mechanism of the gate voltage bump observed in the test. In the end, the mixed-mode numerical simulation is utilized to reproduce the CSTBT's dynamic avalanche behavior. The simulation results validate the proposed dynamic avalanche mechanisms.

ODECS -- A computer code for the optimal design of S.I. engine control strategies

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

Arsie, I.; Pianese, C.; Rizzo, G.

1996-09-01

The computer code ODECS (Optimal Design of Engine Control Strategies) for the design of Spark Ignition engine control strategies is presented. This code has been developed starting from the author`s activity in this field, availing of some original contributions about engine stochastic optimization and dynamical models. This code has a modular structure and is composed of a user interface for the definition, the execution and the analysis of different computations performed with 4 independent modules. These modules allow the following calculations: (1) definition of the engine mathematical model from steady-state experimental data; (2) engine cycle test trajectory corresponding to amore » vehicle transient simulation test such as ECE15 or FTP drive test schedule; (3) evaluation of the optimal engine control maps with a steady-state approach; (4) engine dynamic cycle simulation and optimization of static control maps and/or dynamic compensation strategies, taking into account dynamical effects due to the unsteady fluxes of air and fuel and the influences of combustion chamber wall thermal inertia on fuel consumption and emissions. Moreover, in the last two modules it is possible to account for errors generated by a non-deterministic behavior of sensors and actuators and the related influences on global engine performances, and compute robust strategies, less sensitive to stochastic effects. In the paper the four models are described together with significant results corresponding to the simulation and the calculation of optimal control strategies for dynamic transient tests.« less

SQERTSS: Dynamic rank based throttling of transition probabilities in kinetic Monte Carlo simulations

DOE PAGES

Danielson, Thomas; Sutton, Jonathan E.; Hin, Céline; ...

2017-06-09

Lattice based Kinetic Monte Carlo (KMC) simulations offer a powerful simulation technique for investigating large reaction networks while retaining spatial configuration information, unlike ordinary differential equations. However, large chemical reaction networks can contain reaction processes with rates spanning multiple orders of magnitude. This can lead to the problem of “KMC stiffness” (similar to stiffness in differential equations), where the computational expense has the potential to be overwhelmed by very short time-steps during KMC simulations, with the simulation spending an inordinate amount of KMC steps / cpu-time simulating fast frivolous processes (FFPs) without progressing the system (reaction network). In order tomore » achieve simulation times that are experimentally relevant or desired for predictions, a dynamic throttling algorithm involving separation of the processes into speed-ranks based on event frequencies has been designed and implemented with the intent of decreasing the probability of FFP events, and increasing the probability of slow process events -- allowing rate limiting events to become more likely to be observed in KMC simulations. This Staggered Quasi-Equilibrium Rank-based Throttling for Steady-state (SQERTSS) algorithm designed for use in achieving and simulating steady-state conditions in KMC simulations. Lastly, as shown in this work, the SQERTSS algorithm also works for transient conditions: the correct configuration space and final state will still be achieved if the required assumptions are not violated, with the caveat that the sizes of the time-steps may be distorted during the transient period.« less

SQERTSS: Dynamic rank based throttling of transition probabilities in kinetic Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Danielson, Thomas; Sutton, Jonathan E.; Hin, Céline; Savara, Aditya

2017-10-01

Lattice based Kinetic Monte Carlo (KMC) simulations offer a powerful simulation technique for investigating large reaction networks while retaining spatial configuration information, unlike ordinary differential equations. However, large chemical reaction networks can contain reaction processes with rates spanning multiple orders of magnitude. This can lead to the problem of "KMC stiffness" (similar to stiffness in differential equations), where the computational expense has the potential to be overwhelmed by very short time-steps during KMC simulations, with the simulation spending an inordinate amount of KMC steps/CPU time simulating fast frivolous processes (FFPs) without progressing the system (reaction network). In order to achieve simulation times that are experimentally relevant or desired for predictions, a dynamic throttling algorithm involving separation of the processes into speed-ranks based on event frequencies has been designed and implemented with the intent of decreasing the probability of FFP events, and increasing the probability of slow process events-allowing rate limiting events to become more likely to be observed in KMC simulations. This Staggered Quasi-Equilibrium Rank-based Throttling for Steady-state (SQERTSS) algorithm is designed for use in achieving and simulating steady-state conditions in KMC simulations. As shown in this work, the SQERTSS algorithm also works for transient conditions: the correct configuration space and final state will still be achieved if the required assumptions are not violated, with the caveat that the sizes of the time-steps may be distorted during the transient period.

The Folding of de Novo Designed Protein DS119 via Molecular Dynamics Simulations.

PubMed

Wang, Moye; Hu, Jie; Zhang, Zhuqing

2016-04-26

As they are not subjected to natural selection process, de novo designed proteins usually fold in a manner different from natural proteins. Recently, a de novo designed mini-protein DS119, with a βαβ motif and 36 amino acids, has folded unusually slowly in experiments, and transient dimers have been detected in the folding process. Here, by means of all-atom replica exchange molecular dynamics (REMD) simulations, several comparably stable intermediate states were observed on the folding free-energy landscape of DS119. Conventional molecular dynamics (CMD) simulations showed that when two unfolded DS119 proteins bound together, most binding sites of dimeric aggregates were located at the N-terminal segment, especially residues 5-10, which were supposed to form β-sheet with its own C-terminal segment. Furthermore, a large percentage of individual proteins in the dimeric aggregates adopted conformations similar to those in the intermediate states observed in REMD simulations. These results indicate that, during the folding process, DS119 can easily become trapped in intermediate states. Then, with diffusion, a transient dimer would be formed and stabilized with the binding interface located at N-terminals. This means that it could not quickly fold to the native structure. The complicated folding manner of DS119 implies the important influence of natural selection on protein-folding kinetics, and more improvement should be achieved in rational protein design.

The Folding of de Novo Designed Protein DS119 via Molecular Dynamics Simulations

PubMed Central

Wang, Moye; Hu, Jie; Zhang, Zhuqing

2016-01-01

As they are not subjected to natural selection process, de novo designed proteins usually fold in a manner different from natural proteins. Recently, a de novo designed mini-protein DS119, with a βαβ motif and 36 amino acids, has folded unusually slowly in experiments, and transient dimers have been detected in the folding process. Here, by means of all-atom replica exchange molecular dynamics (REMD) simulations, several comparably stable intermediate states were observed on the folding free-energy landscape of DS119. Conventional molecular dynamics (CMD) simulations showed that when two unfolded DS119 proteins bound together, most binding sites of dimeric aggregates were located at the N-terminal segment, especially residues 5–10, which were supposed to form β-sheet with its own C-terminal segment. Furthermore, a large percentage of individual proteins in the dimeric aggregates adopted conformations similar to those in the intermediate states observed in REMD simulations. These results indicate that, during the folding process, DS119 can easily become trapped in intermediate states. Then, with diffusion, a transient dimer would be formed and stabilized with the binding interface located at N-terminals. This means that it could not quickly fold to the native structure. The complicated folding manner of DS119 implies the important influence of natural selection on protein-folding kinetics, and more improvement should be achieved in rational protein design. PMID:27128902

LPJ-GUESS Simulated Western North America Mid-latitude Vegetation Changes for 15-10 ka Using the CCSM3 TraCE Climate Simulation

NASA Astrophysics Data System (ADS)

Shafer, S. L.; Bartlein, P. J.

2017-12-01

The period from 15-10 ka was a time of rapid vegetation changes in North America. Continental ice sheets in northern North America were receding, exposing new habitat for vegetation, and regions distant from the ice sheets experienced equally large environmental changes. Northern hemisphere temperatures during this period were increasing, promoting transitions from cold-adapted to temperate plant taxa at mid-latitudes. Long, transient paleovegetation simulations can provide important information on vegetation responses to climate changes, including both the spatial dynamics and rates of species distribution changes over time. Paleovegetation simulations also can fill the spatial and temporal gaps in observed paleovegetation records (e.g., pollen data from lake sediments), allowing us to test hypotheses about past vegetation changes (e.g., the location of past refugia). We used the CCSM3 TraCE transient climate simulation as input for LPJ-GUESS, a general ecosystem model, to simulate vegetation changes from 15-10 ka for parts of western North America at mid-latitudes ( 35-55° N). For these simulations, LPJ-GUESS was parameterized to simulate key tree taxa for western North America (e.g., Pseudotsuga, Tsuga, Quercus, etc.). The CCSM3 TraCE transient climate simulation data were regridded onto a 10-minute grid of the study area. We analyzed the simulated spatial and temporal dynamics of these taxa and compared the simulated changes with observed paleovegetation changes recorded in pollen and plant macrofossil data (e.g., data from the Neotoma Paleoecology Database). In general, the LPJ-GUESS simulations reproduce the general patterns of paleovegetation responses to climate change, although the timing of some simulated vegetation changes do not match the observed paleovegetation record. We describe the areas and time periods with the greatest data-model agreement and disagreement, and discuss some of the strengths and weaknesses of the simulated climate and vegetation data. The magnitude and rate of the simulated past vegetation changes are compared with projected future vegetation changes for the region.

Application of Probabilistic Analysis to Aircraft Impact Dynamics

NASA Technical Reports Server (NTRS)

Lyle, Karen H.; Padula, Sharon L.; Stockwell, Alan E.

2003-01-01

Full-scale aircraft crash simulations performed with nonlinear, transient dynamic, finite element codes can incorporate structural complexities such as: geometrically accurate models; human occupant models; and advanced material models to include nonlinear stressstrain behaviors, laminated composites, and material failure. Validation of these crash simulations is difficult due to a lack of sufficient information to adequately determine the uncertainty in the experimental data and the appropriateness of modeling assumptions. This paper evaluates probabilistic approaches to quantify the uncertainty in the simulated responses. Several criteria are used to determine that a response surface method is the most appropriate probabilistic approach. The work is extended to compare optimization results with and without probabilistic constraints.

Low-Dimensional Model of a Cylinder Wake

NASA Astrophysics Data System (ADS)

Luchtenburg, Mark; Cohen, Kelly; Siegel, Stefan; McLaughlin, Tom

2003-11-01

In a two-dimensional cylinder wake, self-excited oscillations in the form of periodic shedding of vortices are observed above a critical Reynolds number of about 47. These flow-induced non-linear oscillations lead to some undesirable effects associated with unsteady pressures such as fluid-structure interactions. An effective way of suppressing the self-excited flow oscillations is by the incorporation of closed-loop flow control. In this effort, a low dimensional, proper orthogonal decomposition (POD) model is based on data obtained from direct numerical simulations of the Navier Stokes equations for the two dimensional circular cylinder wake at a Reynolds number of 100. Three different conditions are examined, namely, the unforced wake experiencing steady-state vortex shedding, the transient behavior of the unforced wake at the startup of the simulation, and transient response to open-loop harmonic forcing by translation. We discuss POD mode selection and the number of modes that need to be included in the low-dimensional model. It is found that the transient dynamics need to be represented by a coupled system that includes an aperiodic mean-flow mode, an aperiodic shift mode and the periodic von Karman modes. Finally, a least squares mapping method is introduced to develop the non-linear state equations. The predictive capability of the state equations demonstrates the ability of the above approach to model the transient dynamics of the wake.

Dynamics of coupled plasmon polariton wave packets excited at a subwavelength slit in optically thin metal films

NASA Astrophysics Data System (ADS)

Wang, Lei-Ming; Zhang, Lingxiao; Seideman, Tamar; Petek, Hrvoje

2012-10-01

We study by numerical simulations the excitation and propagation dynamics of coupled surface plasmon polariton (SPP) wave packets (WPs) in optically thin Ag films and a bulk Ag/vacuum interface under the illumination of a subwavelength slit by 400 nm continuous wave (cw) and femtosecond pulsed light. The generated surface fields include contributions from both SPPs and quasicylindrical waves, which dominate in different regimes. We explore aspects of the coupled SPP modes in Ag thin films, including symmetry, propagation, attenuation, and the variation of coupling with incident angle and film thickness. Simulations of the electromagnetic transients initiated with femtosecond pulses reveal new features of coupled SPP WP generation and propagation in thin Ag films. Our results show that, under pulsed excitation, the SPP modes in an Ag thin film break up into two distinct bound surface wave packets characterized by marked differences in symmetries, group velocities, attenuation lengths, and dispersion properties. The nanometer spatial and femtosecond temporal scale excitation and propagation dynamics of the coupled SPP WPs are revealed in detail by movies recording the evolution of their transient field distributions.

Low molecular weight oligomers of amyloid peptides display β-barrel conformations: A replica exchange molecular dynamics study in explicit solvent

NASA Astrophysics Data System (ADS)

De Simone, Alfonso; Derreumaux, Philippe

2010-04-01

The self-assembly of proteins and peptides into amyloid fibrils is connected to over 40 pathological conditions including neurodegenerative diseases and systemic amyloidosis. Diffusible, low molecular weight protein and peptide oligomers that form in the early steps of aggregation appear to be the harmful cytotoxic species in the molecular etiology of these diseases. So far, the structural characterization of these oligomers has remained elusive owing to their transient and dynamic features. We here address, by means of full atomistic replica exchange molecular dynamics simulations, the energy landscape of heptamers of the amyloidogenic peptide NHVTLSQ from the beta-2 microglobulin protein. The simulations totaling 5 μs show that low molecular weight oligomers in explicit solvent consist of β-barrels in equilibrium with amorphous states and fibril-like assemblies. The results, also accounting for the influence of the pH on the conformational properties, provide a strong evidence of the formation of transient β-barrel assemblies in the early aggregation steps of amyloid-forming systems. Our findings are discussed in terms of oligomers cytotoxicity.

Analytical and experimental study of vibrations in a gear transmission

NASA Technical Reports Server (NTRS)

Choy, F. K.; Ruan, Y. F.; Zakrajsek, J. J.; Oswald, Fred B.; Coy, J. J.

1991-01-01

An analytical simulation of the dynamics of a gear transmission system is presented and compared to experimental results from a gear noise test rig at the NASA Lewis Research Center. The analytical procedure developed couples the dynamic behaviors of the rotor-bearing-gear system with the response of the gearbox structure. The modal synthesis method is used in solving the overall dynamics of the system. Locally each rotor-gear stage is modeled as an individual rotor-bearing system using the matrix transfer technique. The dynamics of each individual rotor are coupled with other rotor stages through the nonlinear gear mesh forces and with the gearbox structure through bearing support systems. The modal characteristics of the gearbox structure are evaluated using the finite element procedure. A variable time steping integration routine is used to calculate the overall time transient behavior of the system in modal coordinates. The global dynamic behavior of the system is expressed in a generalized coordinate system. Transient and steady state vibrations of the gearbox system are presented in the time and frequency domains. The vibration characteristics of a simple single mesh gear noise test rig is modeled. The numerical simulations are compared to experimental data measured under typical operating conditions. The comparison of system natural frequencies, peak vibration amplitudes, and gear mesh frequencies are generally in good agreement.

Dynamic simulation of 10 kW Brayton cryocooler for HTS cable

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

Chang, Ho-Myung; Park, Chan Woo; Yang, Hyung Suk

2014-01-29

Dynamic simulation of a Brayton cryocooler is presented as a partial effort of a Korean governmental project to develop 1∼3 km HTS cable systems at transmission level in Jeju Island. Thermodynamic design of a 10 kW Brayton cryocooler was completed, and a prototype construction is underway with a basis of steady-state operation. This study is the next step to investigate the transient behavior of cryocooler for two purposes. The first is to simulate and design the cool-down process after scheduled or unscheduled stoppage. The second is to predict the transient behavior following the variation of external conditions such as cryogenicmore » load or outdoor temperature. The detailed specifications of key components, including plate-fin heat exchangers and cryogenic turbo-expanders are incorporated into a commercial software (Aspen HYSYS) to estimate the temporal change of temperature and flow rate over the cryocooler. An initial cool-down scenario and some examples on daily variation of cryocooler are presented and discussed, aiming at stable control schemes of a long cable system.« less

Spent nuclear fuel system dynamic stability under normal conditions of transportation

DOE PAGES

Jiang, Hao; Wang, Jy-An John

2016-10-14

In a horizontal layout of a spent nuclear fuel (SNF) assembly under normal conditions of transportation (NCT), the fuel assembly’s skeleton formed by guide tubes and spacer grids is the primary load bearing structure for carrying and transferring the vibration loads within an SNF assembly. Therefore, the integrity of guide tubes and spacer grids will dictate the vibration amplitude/intensity of the fuel assembly during transport, and must be considered when designing multipurpose purpose canister (MPC) for safe SNF transport. This paper investigates the SNF assembly deformation dynamics during normal vibration mode, as well as the transient shock mode inside themore » cask during NCT. In conclusion, dynamic analyses were performed in the frequency domain to study frequency characteristic of the fuel assembly system and in the time domain to simulate the transient dynamic response of the fuel assembly.« less

Spent nuclear fuel system dynamic stability under normal conditions of transportation

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

Jiang, Hao; Wang, Jy-An John

In a horizontal layout of a spent nuclear fuel (SNF) assembly under normal conditions of transportation (NCT), the fuel assembly’s skeleton formed by guide tubes and spacer grids is the primary load bearing structure for carrying and transferring the vibration loads within an SNF assembly. Therefore, the integrity of guide tubes and spacer grids will dictate the vibration amplitude/intensity of the fuel assembly during transport, and must be considered when designing multipurpose purpose canister (MPC) for safe SNF transport. This paper investigates the SNF assembly deformation dynamics during normal vibration mode, as well as the transient shock mode inside themore » cask during NCT. In conclusion, dynamic analyses were performed in the frequency domain to study frequency characteristic of the fuel assembly system and in the time domain to simulate the transient dynamic response of the fuel assembly.« less

Preliminary results from a four-working space, double-acting piston, Stirling engine controls model

NASA Technical Reports Server (NTRS)

Daniele, C. J.; Lorenzo, C. F.

1980-01-01

A four working space, double acting piston, Stirling engine simulation is being developed for controls studies. The development method is to construct two simulations, one for detailed fluid behavior, and a second model with simple fluid behaviour but containing the four working space aspects and engine inertias, validate these models separately, then upgrade the four working space model by incorporating the detailed fluid behaviour model for all four working spaces. The single working space (SWS) model contains the detailed fluid dynamics. It has seven control volumes in which continuity, energy, and pressure loss effects are simulated. Comparison of the SWS model with experimental data shows reasonable agreement in net power versus speed characteristics for various mean pressure levels in the working space. The four working space (FWS) model was built to observe the behaviour of the whole engine. The drive dynamics and vehicle inertia effects are simulated. To reduce calculation time, only three volumes are used in each working space and the gas temperature are fixed (no energy equation). Comparison of the FWS model predicted power with experimental data shows reasonable agreement. Since all four working spaces are simulated, the unique capabilities of the model are exercised to look at working fluid supply transients, short circuit transients, and piston ring leakage effects.

Strain and thermally induced magnetic dynamics and spin current in magnetic insulators subject to transient optical grating

NASA Astrophysics Data System (ADS)

Wang, Xi-Guang; Chotorlishvili, Levan; Berakdar, Jamal

2017-07-01

We analyze the magnetic dynamics and particularlythe spin current in an open-circuit ferromagnetic insulator irradiated by two intense, phase-locked laser pulses. The interference of the laser beams generates a transient optical grating and a transient spatio-temporal temperature distribution. Both effects lead to elastic and heat waves at the surface and into the bulk of the sample. The strain induced spin current as well as the thermally induced magnonic spin current are evaluated numerically on the basis of micromagnetic simulations using solutions of the heat equation. We observe that the thermo-elastically induced magnonic spin current propagates on a distance larger than the characteristic size of thermal profile, an effect useful for applications in remote detection of spin caloritronics phenomena. Our findings point out that exploiting strain adds a new twist to heat-assisted magnetic switching and spin-current generation for spintronic applications.

Transient dynamics of a nonlinear magneto-optical rotation

NASA Astrophysics Data System (ADS)

Grewal, Raghwinder Singh; Pustelny, S.; Rybak, A.; Florkowski, M.

2018-04-01

We analyze nonlinear magneto-optical rotation (NMOR) in rubidium vapor subjected to a continuously scanned magnetic field. By varying the magnetic-field sweep rate, a transition from traditionally observed dispersivelike NMOR signals (low sweep rate) to oscillating signals (higher sweep rates) is demonstrated. The transient oscillatory behavior is studied versus light and magnetic-field parameters, revealing a strong dependence of the signals on magnetic sweep rate and light intensity. The experimental results are supported with density-matrix calculations, which enable quantitative analysis of the effect. Fitting of the signals simulated versus different parameters with a theoretically motivated curve reveals the presence of oscillatory and static components in the signals. The components depend differently on the system parameters, which suggests their distinct nature. The investigations provide insight into the dynamics of ground-state coherence generation and enable application of NMOR in detection of transient spin couplings.

JPRS report: Science and technology. Central Eurasia: Engineering and equipment

NASA Astrophysics Data System (ADS)

1993-10-01

Translated articles cover the following topics: transient gas dynamic processes in ramjet engines; aerodynamic characteristics of delta wings with detached leading edge shock wave at hypersonic flight velocities; effect of atmospheric density gradient on aerodynamic stabilization; measurement of target radar scattering characteristics using frequency synthesized signals; assessing survivability and ensuring safety of large axial-flow compressor blades; procedure for experimentally determining transient aerodynamic forces caused by flat vane cascade; analysis of aerodynamic interaction of profile and vortex; laser machine for balancing dynamically adjusted gyros; use of heat pumps in solar heat supply systems; numerical simulation of deflagration transition to detonation in homogeneous combustible fuel mixture; and investigation of chemically nonequilibrium flow about bodies allowing for vibrational relaxation.

Simulation of Transient Response of Ir-TES for Position-Sensitive TES with Waveform Domain Multiplexing

NASA Astrophysics Data System (ADS)

Minamikawa, Y.; Sato, H.; Mori, F.; Damayanthi, R. M. T.; Takahashi, H.; Ohno, M.

2008-04-01

We are developing a new x-ray microcalorimeter based on a superconducting transition edge sensor (TES) as an imaging sensor. Our measurement shows unique waveforms which we consider as an expression of thermal nonuniformity of TES films. This arises from the different thermal responses, so that response signal shapes would vary according to the position of the incident x-ray. This position dependency deteriorate the measured energy resolution, but with appropriate waveform analysis, this would be useful for imaging device. For more inspection, we have developed a simulation code which enables a dynamic simulation to obtain a transient response of the TES by finite differential method. Temperature and electric current distributions are calculated. As a result, we successfully obtained waveform signals. The calculated signal waveforms have similar characteristics to the measured signals. This simulation visualized the transition state of the device and will help to design better detector.

Mapping transiently formed and sparsely populated conformations on a complex energy landscape.

PubMed

Wang, Yong; Papaleo, Elena; Lindorff-Larsen, Kresten

2016-08-23

Determining the structures, kinetics, thermodynamics and mechanisms that underlie conformational exchange processes in proteins remains extremely difficult. Only in favourable cases is it possible to provide atomic-level descriptions of sparsely populated and transiently formed alternative conformations. Here we benchmark the ability of enhanced-sampling molecular dynamics simulations to determine the free energy landscape of the L99A cavity mutant of T4 lysozyme. We find that the simulations capture key properties previously measured by NMR relaxation dispersion methods including the structure of a minor conformation, the kinetics and thermodynamics of conformational exchange, and the effect of mutations. We discover a new tunnel that involves the transient exposure towards the solvent of an internal cavity, and show it to be relevant for ligand escape. Together, our results provide a comprehensive view of the structural landscape of a protein, and point forward to studies of conformational exchange in systems that are less characterized experimentally.

An efficient approach to the analysis of rail surface irregularities accounting for dynamic train-track interaction and inelastic deformations

NASA Astrophysics Data System (ADS)

Andersson, Robin; Torstensson, Peter T.; Kabo, Elena; Larsson, Fredrik

2015-11-01

A two-dimensional computational model for assessment of rolling contact fatigue induced by discrete rail surface irregularities, especially in the context of so-called squats, is presented. Dynamic excitation in a wide frequency range is considered in computationally efficient time-domain simulations of high-frequency dynamic vehicle-track interaction accounting for transient non-Hertzian wheel-rail contact. Results from dynamic simulations are mapped onto a finite element model to resolve the cyclic, elastoplastic stress response in the rail. Ratcheting under multiple wheel passages is quantified. In addition, low cycle fatigue impact is quantified using the Jiang-Sehitoglu fatigue parameter. The functionality of the model is demonstrated by numerical examples.

Transient Mass and Thermal Transport during Methane Adsorption into the Metal-Organic Framework HKUST-1.

PubMed

Babaei, Hasan; McGaughey, Alan J H; Wilmer, Christopher E

2018-01-24

Methane adsorption into the metal-organic framework (MOF) HKUST-1 and the resulting heat generation and dissipation are investigated using molecular dynamics simulations. Transient simulations reveal that thermal transport in the MOF occurs two orders of magnitude faster than gas diffusion. A large thermal resistance at the MOF-gas interface (equivalent to 127 nm of bulk HKUST-1), however, prevents fast release of the generated heat. The mass transport resistance at the MOF-gas interface is equivalent to 1 nm of bulk HKUST-1 and does not present a bottleneck in the adsorption process. These results provide important insights into the application of MOFs for gas storage applications.

Crystal water dynamics of guanosine dihydrate: analysis of atomic displacement parameters, time profile of hydrogen-bonding probability, and translocation of water by MD simulation.

PubMed

Yoneda, Shigetaka; Sugawara, Yoko; Urabe, Hisako

2005-01-27

The dynamics of crystal water molecules of guanosine dihydrate are investigated in detail by molecular dynamics (MD) simulation. A 2 ns simulation is performed using a periodic boundary box composed of 4 x 5 x 8 crystallographic unit cells and using the particle-mesh Ewald method for calculation of electrostatic energy. The simulated average atomic positions and atomic displacement parameters are remarkably coincident with the experimental values determined by X-ray analysis, confirming the high accuracy of this simulation. The dynamics of crystal water are analyzed in terms of atomic displacement parameters, orientation vectors, order parameters, self-correlation functions of the orientation vectors, time profiles of hydrogen-bonding probability, and translocations. The simulation clarifies that the average structure is composed of various stable and transient structures of the molecules. The simulated guanosine crystal forms a layered structure, with four water sites per asymmetric unit, classified as either interlayer water or intralayer water. From a detailed analysis of the translocations of water molecules in the simulation, columns of intralayer water molecules along the c axis appear to represent a pathway for hydration and dehydration by a kind of molecular valve mechanism.

HIGH-FIDELITY SIMULATION-DRIVEN MODEL DEVELOPMENT FOR COARSE-GRAINED COMPUTATIONAL FLUID DYNAMICS

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

Hanna, Botros N.; Dinh, Nam T.; Bolotnov, Igor A.

Nuclear reactor safety analysis requires identifying various credible accident scenarios and determining their consequences. For a full-scale nuclear power plant system behavior, it is impossible to obtain sufficient experimental data for a broad range of risk-significant accident scenarios. In single-phase flow convective problems, Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES) can provide us with high fidelity results when physical data are unavailable. However, these methods are computationally expensive and cannot be afforded for simulation of long transient scenarios in nuclear accidents despite extraordinary advances in high performance scientific computing over the past decades. The major issue is themore » inability to make the transient computation parallel, thus making number of time steps required in high-fidelity methods unaffordable for long transients. In this work, we propose to apply a high fidelity simulation-driven approach to model sub-grid scale (SGS) effect in Coarse Grained Computational Fluid Dynamics CG-CFD. This approach aims to develop a statistical surrogate model instead of the deterministic SGS model. We chose to start with a turbulent natural convection case with volumetric heating in a horizontal fluid layer with a rigid, insulated lower boundary and isothermal (cold) upper boundary. This scenario of unstable stratification is relevant to turbulent natural convection in a molten corium pool during a severe nuclear reactor accident, as well as in containment mixing and passive cooling. The presented approach demonstrates how to create a correction for the CG-CFD solution by modifying the energy balance equation. A global correction for the temperature equation proves to achieve a significant improvement to the prediction of steady state temperature distribution through the fluid layer.« less

On the origin of reproducible sequential activity in neural circuits

NASA Astrophysics Data System (ADS)

Afraimovich, V. S.; Zhigulin, V. P.; Rabinovich, M. I.

2004-12-01

Robustness and reproducibility of sequential spatio-temporal responses is an essential feature of many neural circuits in sensory and motor systems of animals. The most common mathematical images of dynamical regimes in neural systems are fixed points, limit cycles, chaotic attractors, and continuous attractors (attractive manifolds of neutrally stable fixed points). These are not suitable for the description of reproducible transient sequential neural dynamics. In this paper we present the concept of a stable heteroclinic sequence (SHS), which is not an attractor. SHS opens the way for understanding and modeling of transient sequential activity in neural circuits. We show that this new mathematical object can be used to describe robust and reproducible sequential neural dynamics. Using the framework of a generalized high-dimensional Lotka-Volterra model, that describes the dynamics of firing rates in an inhibitory network, we present analytical results on the existence of the SHS in the phase space of the network. With the help of numerical simulations we confirm its robustness in presence of noise in spite of the transient nature of the corresponding trajectories. Finally, by referring to several recent neurobiological experiments, we discuss possible applications of this new concept to several problems in neuroscience.

On the origin of reproducible sequential activity in neural circuits.

PubMed

Afraimovich, V S; Zhigulin, V P; Rabinovich, M I

2004-12-01

Robustness and reproducibility of sequential spatio-temporal responses is an essential feature of many neural circuits in sensory and motor systems of animals. The most common mathematical images of dynamical regimes in neural systems are fixed points, limit cycles, chaotic attractors, and continuous attractors (attractive manifolds of neutrally stable fixed points). These are not suitable for the description of reproducible transient sequential neural dynamics. In this paper we present the concept of a stable heteroclinic sequence (SHS), which is not an attractor. SHS opens the way for understanding and modeling of transient sequential activity in neural circuits. We show that this new mathematical object can be used to describe robust and reproducible sequential neural dynamics. Using the framework of a generalized high-dimensional Lotka-Volterra model, that describes the dynamics of firing rates in an inhibitory network, we present analytical results on the existence of the SHS in the phase space of the network. With the help of numerical simulations we confirm its robustness in presence of noise in spite of the transient nature of the corresponding trajectories. Finally, by referring to several recent neurobiological experiments, we discuss possible applications of this new concept to several problems in neuroscience.

Conformational ensemble of human α-synuclein physiological form predicted by molecular simulations.

PubMed

Rossetti, G; Musiani, F; Abad, E; Dibenedetto, D; Mouhib, H; Fernandez, C O; Carloni, P

2016-02-17

We perform here enhanced sampling simulations of N-terminally acetylated human α-synuclein, an intrinsically disordered protein involved in Parkinson's disease. The calculations, consistent with experiments, suggest that the post-translational modification leads to the formation of a transient amphipathic α-helix. The latter, absent in the non-physiological form, alters protein dynamics at the N-terminal and intramolecular interactions.

MSC products for the simulation of tire behavior

NASA Technical Reports Server (NTRS)

Muskivitch, John C.

1995-01-01

The modeling of tires and the simulation of tire behavior are complex problems. The MacNeal-Schwendler Corporation (MSC) has a number of finite element analysis products that can be used to address the complexities of tire modeling and simulation. While there are many similarities between the products, each product has a number of capabilities that uniquely enable it to be used for a specific aspect of tire behavior. This paper discusses the following programs: (1) MSC/NASTRAN - general purpose finite element program for linear and nonlinear static and dynamic analysis; (2) MSC/ADAQUS - nonlinear statics and dynamics finite element program; (3) MSC/PATRAN AFEA (Advanced Finite Element Analysis) - general purpose finite element program with a subset of linear and nonlinear static and dynamic analysis capabilities with an integrated version of MSC/PATRAN for pre- and post-processing; and (4) MSC/DYTRAN - nonlinear explicit transient dynamics finite element program.

Propulsion System Simulation Using the Toolbox for the Modeling and Analysis of Thermodynamic System T-MATS

NASA Technical Reports Server (NTRS)

Chapman, Jeffryes W.; Lavelle, Thomas M.; May, Ryan D.; Litt, Jonathan S.; Guo, Ten-Huei

2014-01-01

A simulation toolbox has been developed for the creation of both steady-state and dynamic thermodynamic software models. This paper describes the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS), which combines generic thermodynamic and controls modeling libraries with a numerical iterative solver to create a framework for the development of thermodynamic system simulations, such as gas turbine engines. The objective of this paper is to present an overview of T-MATS, the theory used in the creation of the module sets, and a possible propulsion simulation architecture. A model comparison was conducted by matching steady-state performance results from a T-MATS developed gas turbine simulation to a well-documented steady-state simulation. Transient modeling capabilities are then demonstrated when the steady-state T-MATS model is updated to run dynamically.

Propulsion System Simulation Using the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS)

NASA Technical Reports Server (NTRS)

Chapman, Jeffryes W.; Lavelle, Thomas M.; May, Ryan D.; Litt, Jonathan S.; Guo, Ten-Huei

2014-01-01

A simulation toolbox has been developed for the creation of both steady-state and dynamic thermodynamic software models. This paper describes the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS), which combines generic thermodynamic and controls modeling libraries with a numerical iterative solver to create a framework for the development of thermodynamic system simulations, such as gas turbine engines. The objective of this paper is to present an overview of T-MATS, the theory used in the creation of the module sets, and a possible propulsion simulation architecture. A model comparison was conducted by matching steady-state performance results from a T-MATS developed gas turbine simulation to a well-documented steady-state simulation. Transient modeling capabilities are then demonstrated when the steady-state T-MATS model is updated to run dynamically.

Numerical Investigation of Transient Flow in a Prototype Centrifugal Pump during Startup Period

NASA Astrophysics Data System (ADS)

Zhang, Yu-Liang; Zhu, Zu-Chao; Dou, Hua-Shu; Cui, Bao-Ling; Li, Yi; Zhou, Zhao-Zhong

2017-05-01

Transient performance of pumps during transient operating periods, such as startup and stopping, has drawn more and more attentions recently due to the growing engineering needs. During the startup period of a pump, the performance parameters such as the flow rate and head would vary significantly in a broad range. Therefore, it is very difficult to accurately specify the unsteady boundary conditions for a pump alone to solve the transient flow in the absence of experimental results. The closed-loop pipe system including a centrifugal pump is built to accomplish the self-coupling calculation. The three-dimensional unsteady incompressible viscous flow inside the passage of the pump during startup period is numerically simulated using the dynamic mesh method. Simulation results show that there are tiny fluctuations in the flow rate even under stable operating conditions and this can be attributed to influence of the rotor-stator interaction. At the very beginning of the startup, the rising speed of the flow rate is lower than that of the rotational speed. It is also found that it is not suitable to predict the transient performance of pumps using the calculation method of quasi-steady flow, especially at the earlier period of the startup.

Lumped-Element Dynamic Electro-Thermal model of a superconducting magnet

NASA Astrophysics Data System (ADS)

Ravaioli, E.; Auchmann, B.; Maciejewski, M.; ten Kate, H. H. J.; Verweij, A. P.

2016-12-01

Modeling accurately electro-thermal transients occurring in a superconducting magnet is challenging. The behavior of the magnet is the result of complex phenomena occurring in distinct physical domains (electrical, magnetic and thermal) at very different spatial and time scales. Combined multi-domain effects significantly affect the dynamic behavior of the system and are to be taken into account in a coherent and consistent model. A new methodology for developing a Lumped-Element Dynamic Electro-Thermal (LEDET) model of a superconducting magnet is presented. This model includes non-linear dynamic effects such as the dependence of the magnet's differential self-inductance on the presence of inter-filament and inter-strand coupling currents in the conductor. These effects are usually not taken into account because superconducting magnets are primarily operated in stationary conditions. However, they often have significant impact on magnet performance, particularly when the magnet is subject to high ramp rates. Following the LEDET method, the complex interdependence between the electro-magnetic and thermal domains can be modeled with three sub-networks of lumped-elements, reproducing the electrical transient in the main magnet circuit, the thermal transient in the coil cross-section, and the electro-magnetic transient of the inter-filament and inter-strand coupling currents in the superconductor. The same simulation environment can simultaneously model macroscopic electrical transients and phenomena at the level of superconducting strands. The model developed is a very useful tool for reproducing and predicting the performance of conventional quench protection systems based on energy extraction and quench heaters, and of the innovative CLIQ protection system as well.

Modular, high power, variable R dynamic electrical load simulator

NASA Technical Reports Server (NTRS)

Joncas, K. P.

1974-01-01

The design of a previously developed basic variable R load simulator was entended to increase its power dissipation and transient handling capabilities. The delivered units satisfy all design requirements, and provides for a high power, modular simulation capability uniquely suited to the simulation of complex load responses. In addition to presenting conclusions and recommendations and pertinent background information, the report covers program accomplishments; describes the simulator basic circuits, transfer characteristic, protective features, assembly, and specifications; indicates the results of simulator evaluation, including burn-in and acceptance testing; provides acceptance test data; and summarizes the monthly progress reports.

Improved pump turbine transient behaviour prediction using a Thoma number-dependent hillchart model

NASA Astrophysics Data System (ADS)

Manderla, M.; Kiniger, K.; Koutnik, J.

2014-03-01

Water hammer phenomena are important issues for high head hydro power plants. Especially, if several reversible pump-turbines are connected to the same waterways there may be strong interactions between the hydraulic machines. The prediction and coverage of all relevant load cases is challenging and difficult using classical simulation models. On the basis of a recent pump-storage project, dynamic measurements motivate an improved modeling approach making use of the Thoma number dependency of the actual turbine behaviour. The proposed approach is validated for several transient scenarios and turns out to increase correlation between measurement and simulation results significantly. By applying a fully automated simulation procedure broad operating ranges can be covered which provides a consistent insight into critical load case scenarios. This finally allows the optimization of the closing strategy and hence the overall power plant performance.

Impact of release dynamics of laser-irradiated polymer micropallets on the viability of selected adherent cells

PubMed Central

Ma, Huan; Mismar, Wael; Wang, Yuli; Small, Donald W.; Ras, Mat; Allbritton, Nancy L.; Sims, Christopher E.; Venugopalan, Vasan

2012-01-01

We use time-resolved interferometry, fluorescence assays and computational fluid dynamics (CFD) simulations to examine the viability of confluent adherent cell monolayers to selection via laser microbeam release of photoresist polymer micropallets. We demonstrate the importance of laser microbeam pulse energy and focal volume position relative to the glass–pallet interface in governing the threshold energies for pallet release as well as the pallet release dynamics. Measurements using time-resolved interferometry show that increases in laser pulse energy result in increasing pallet release velocities that can approach 10 m s−1 through aqueous media. CFD simulations reveal that the pallet motion results in cellular exposure to transient hydrodynamic shear stress amplitudes that can exceed 100 kPa on microsecond timescales, and which produces reduced cell viability. Moreover, CFD simulation results show that the maximum shear stress on the pallet surface varies spatially, with the largest shear stresses occurring on the pallet periphery. Cell viability of confluent cell monolayers on the pallet surface confirms that the use of larger pulse energies results in increased rates of necrosis for those cells situated away from the pallet centre, while cells situated at the pallet centre remain viable. Nevertheless, experiments that examine the viability of these cell monolayers following pallet release show that proper choices for laser microbeam pulse energy and focal volume position lead to the routine achievement of cell viability in excess of 90 per cent. These laser microbeam parameters result in maximum pallet release velocities below 6 m s−1 and cellular exposure of transient hydrodynamic shear stresses below 20 kPa. Collectively, these results provide a mechanistic understanding that relates pallet release dynamics and associated transient shear stresses with subsequent cellular viability. This provides a quantitative, mechanistic basis for determining optimal operating conditions for laser microbeam-based pallet release systems for the isolation and selection of adherent cells. PMID:22158840

Impact of release dynamics of laser-irradiated polymer micropallets on the viability of selected adherent cells.

PubMed

Ma, Huan; Mismar, Wael; Wang, Yuli; Small, Donald W; Ras, Mat; Allbritton, Nancy L; Sims, Christopher E; Venugopalan, Vasan

2012-06-07

We use time-resolved interferometry, fluorescence assays and computational fluid dynamics (CFD) simulations to examine the viability of confluent adherent cell monolayers to selection via laser microbeam release of photoresist polymer micropallets. We demonstrate the importance of laser microbeam pulse energy and focal volume position relative to the glass-pallet interface in governing the threshold energies for pallet release as well as the pallet release dynamics. Measurements using time-resolved interferometry show that increases in laser pulse energy result in increasing pallet release velocities that can approach 10 m s(-1) through aqueous media. CFD simulations reveal that the pallet motion results in cellular exposure to transient hydrodynamic shear stress amplitudes that can exceed 100 kPa on microsecond timescales, and which produces reduced cell viability. Moreover, CFD simulation results show that the maximum shear stress on the pallet surface varies spatially, with the largest shear stresses occurring on the pallet periphery. Cell viability of confluent cell monolayers on the pallet surface confirms that the use of larger pulse energies results in increased rates of necrosis for those cells situated away from the pallet centre, while cells situated at the pallet centre remain viable. Nevertheless, experiments that examine the viability of these cell monolayers following pallet release show that proper choices for laser microbeam pulse energy and focal volume position lead to the routine achievement of cell viability in excess of 90 per cent. These laser microbeam parameters result in maximum pallet release velocities below 6 m s(-1) and cellular exposure of transient hydrodynamic shear stresses below 20 kPa. Collectively, these results provide a mechanistic understanding that relates pallet release dynamics and associated transient shear stresses with subsequent cellular viability. This provides a quantitative, mechanistic basis for determining optimal operating conditions for laser microbeam-based pallet release systems for the isolation and selection of adherent cells.

First-principles electron dynamics control simulation of diamond under femtosecond laser pulse train irradiation.

PubMed

Wang, Cong; Jiang, Lan; Wang, Feng; Li, Xin; Yuan, Yanping; Xiao, Hai; Tsai, Hai-Lung; Lu, Yongfeng

2012-07-11

A real-time and real-space time-dependent density functional is applied to simulate the nonlinear electron-photon interactions during shaped femtosecond laser pulse train ablation of diamond. Effects of the key pulse train parameters such as the pulse separation, spatial/temporal pulse energy distribution and pulse number per train on the electron excitation and energy absorption are discussed. The calculations show that photon-electron interactions and transient localized electron dynamics can be controlled including photon absorption, electron excitation, electron density, and free electron distribution by the ultrafast laser pulse train.

Magnetosheath High-Speed Jets: Coupling Bow Shock Processes to the Magnetosphere

NASA Astrophysics Data System (ADS)

Hietala, H.

2016-12-01

Magnetosheath high-speed jets (HSJs) - dynamic pressure enhancements typically of 1 Earth radius in size - are the most common dayside transient. They impact the magnetopause many times per hour, especially during intervals of low interplanetary magnetic field cone-angle. Upon impact they cause large amplitude yet localized magnetopause indentations, and can couple to global dynamics by driving magnetospheric waves that alter radiation belt electron populations, and by affecting subsolar magnetopause reconnection. Previous observational studies have provided considerable insight into properties of the HSJs. Similarly, recent hybrid simulations have demonstrated the formation of jets downstream of the quasi-parallel shock with properties resembling the observed ones. Yet these studies were based on differing definitions of transients, have used varying terminology, methodology, data sets/simulations, and yielded, not unexpectedly, differing results on origin and characteristics of jets. In this talk we will present the first results towards a more unified understanding of these jets from a dedicated International Space Science Institute (ISSI) team. In particular, we compare the three selection criteria used in the recent observational statistical studies: (i) high dynamic pressure in the Sun-Earth direction with respect to the solar wind; (ii) enhancement of the total dynamic pressure with respect to the ambient magnetosheath plasma; (iii) enhancement of density with respect to the ambient plasma. We apply these criteria to global kinetic simulations and compare what structures they pick out. Consequently, we can effectively demonstrate where the different criteria agree and where they disagree.

Dynamic x-ray imaging of laser-driven nanoplasmas

NASA Astrophysics Data System (ADS)

Fennel, Thomas

2016-05-01

A major promise of current x-ray science at free electron lasers is the realization of unprecedented imaging capabilities for resolving the structure and ultrafast dynamics of matter with nanometer spatial and femtosecond temporal resolution or even below via single-shot x-ray diffraction. Laser-driven atomic clusters and nanoparticles provide an ideal platform for developing and demonstrating the required technology to extract the ultrafast transient spatiotemporal dynamics from the diffraction images. In this talk, the perspectives and challenges of dynamic x-ray imaging will be discussed using complete self-consistent microscopic electromagnetic simulations of IR pump x-ray probe imaging for the example of clusters. The results of the microscopic particle-in-cell simulations (MicPIC) enable the simulation-assisted reconstruction of corresponding experimental data. This capability is demonstrated by converting recently measured LCLS data into a ultrahigh resolution movie of laser-induced plasma expansion. Finally, routes towards reaching attosecond time resolution in the visualization of complex dynamical processes in matter by x-ray diffraction will be discussed.

Overview of the GRC Stirling Convertor System Dynamic Model

NASA Technical Reports Server (NTRS)

Lewandowski, Edward J.; Regan, Timothy F.

2004-01-01

A Stirling Convertor System Dynamic Model has been developed at the Glenn Research Center for controls, dynamics, and systems development of free-piston convertor power systems. It models the Stirling cycle thermodynamics, heat flow, gas, mechanical, and mounting dynamics, the linear alternator, and the controller. The model's scope extends from the thermal energy input to thermal, mechanical dynamics, and electrical energy out, allowing one to study complex system interactions among subsystems. The model is a non-linear time-domain model containing sub-cycle dynamics, allowing it to simulate transient and dynamic phenomena that other models cannot. The model details and capability are discussed.

Analysis of nanoscale two-phase flow of argon using molecular dynamics

NASA Astrophysics Data System (ADS)

Verma, Abhishek Kumar; Kumar, Rakesh

2014-12-01

Two phase flows through micro and nanochannels have attracted a lot of attention because of their immense applicability to many advanced fields such as MEMS/NEMS, electronic cooling, bioengineering etc. In this work, a molecular dynamics simulation method is employed to study the condensation process of superheated argon vapor force driven flow through a nanochannel combining fluid flow and heat transfer. A simple and effective particle insertion method is proposed to model phase change of argon based on non-periodic boundary conditions in the simulation domain. Starting from a crystalline solid wall of channel, the condensation process evolves from a transient unsteady state where we study the influence of different wall temperatures and fluid wall interactions on interfacial and heat transport properties of two phase flows. Subsequently, we analyzed transient temperature, density and velocity fields across the channel and their dependency on varying wall temperature and fluid wall interaction, after a dynamic equilibrium is achieved in phase transition. Quasi-steady nonequilibrium temperature profile, heat flux and interfacial thermal resistance were analyzed. The results demonstrate that the molecular dynamics method, with the proposed particle insertion method, effectively solves unsteady nonequilibrium two phase flows at nanoscale resolutions whose interphase between liquid and vapor phase is typically of the order of a few molecular diameters.

Feasibility study of solid oxide fuel cell engines integrated with sprinter gas turbines: Modeling, design and control

NASA Astrophysics Data System (ADS)

Jia, Zhenzhong; Sun, Jing; Dobbs, Herb; King, Joel

2015-02-01

Conventional recuperating solid oxide fuel cell (SOFC)/gas turbine (GT) system suffers from its poor dynamic capability and load following performance. To meet the fast, safe and efficient load following requirements for mobile applications, a sprinter SOFC/GT system concept is proposed in this paper. In the proposed system, an SOFC stack operating at fairly constant temperature provides the baseline power with high efficiency while the fast dynamic capability of the GT-generator is fully explored for fast dynamic load following. System design and control studies have been conducted by using an SOFC/GT system model consisting of experimentally-verified component models. In particular, through analysis of the steady-state simulation results, an SOFC operation strategy is proposed to maintain fairly constant SOFC power (less than 2% power variation) and temperature (less than 2 K temperature variation) over the entire load range. A system design procedure well-suited to the proposed system has also been developed to help determining component sizes and the reference steady-state operation line. In addition, control analysis has been studied for both steady-state and transient operations. Simulation results suggest that the proposed system holds the promise to achieve fast and safe transient operations by taking full advantage of the fast dynamics of the GT-generator.

Effects of Transient Power Extraction on an Integrated Hardware-in-the-Loop Aircraft/Propulsion/Power System

DTIC Science & Technology

2008-11-01

Simulations of an engine and its Full Authority Digital Engine Control ( FADEC ), along with a 6 degree-of-freedom (6DoF) airframe dynamics model and...as needed. In its current configuration, the generic turbine engine model’s FADEC is included in the same simulation and runs primarily on 2 a...back to the engine. As mentioned previously, the FADEC and engine are combined into one simulation and are collectively referred to as “the engine

Integration of fracturing dynamics and pressure transient analysis for hydraulic fracture evaluation

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

Arihara, N.; Abbaszadeh, M.; Wright, C.A.

This paper presents pre- and post-fracture pressure transient analysis, combined with net fracture pressure interpretation, for a well in a naturally fractured geothermal reservoir. Integrated analysis was performed to achieve a consistent interpretation of the created fracture geometry, propagation, conductivity, shrinkage, reservoir flow behavior, and formation permeability characteristics. The interpreted data includes two-rate pre-frac injection tests, step-rate injection tests, a series of pressure falloff tests, and the net fracturing pressure from a massive fracture treatment. Pressure transient analyses were performed utilizing advanced well test interpretation techniques and a thermal reservoir simulator with fracture propagation option. Hydraulic fracture propagation analysis wasmore » also performed Milt a generalized 3-D dynamic fracture growth model simulator. Three major conclusions resulted from the combined analysis: (1) that an increasing number of hydraulic fractures were being simultaneously propagated during the fracture treatment. (2) that the reservoir behaved as a composite reservoir Keith the outer region permeability being greater than the permeability of the region immediately surrounding the wellbore, and (3) that the created fractures extended into the outer region during the fracture treatment but retreated to the inner region several days after stimulation had ceased. These conclusions were apparent from independent pressure transient analysis and from independent hydraulic fracture propagation analysis. Integrated interpretation, however, increased the confidence in these conclusions and greatly aided the quantification of the created hydraulic fracture geometry and characterization of the reservoir permeability.« less

Determination of the Optimal Fourier Number on the Dynamic Thermal Transmission

NASA Astrophysics Data System (ADS)

Bruzgevičius, P.; Burlingis, A.; Norvaišienė, R.

2016-12-01

This article represents the result of experimental research on transient heat transfer in a multilayered (heterogeneous) wall. Our non-steady thermal transmission simulation is based on a finite-difference calculation method. The value of a Fourier number shows the similarity of thermal variation in conditional layers of an enclosure. Most scientists recommend using no more than a value of 0.5 for the Fourier number when performing calculations on dynamic (transient) heat transfer. The value of the Fourier number is determined in order to acquire reliable calculation results with optimal accuracy. To compare the results of simulation with experimental research, a transient heat transfer calculation spreadsheet was created. Our research has shown that a Fourier number of around 0.5 or even 0.32 is not sufficient ({≈ }17 % of oscillation amplitude) for calculations of transient heat transfer in a multilayered wall. The least distorted calculation results were obtained when the multilayered enclosure was divided into conditional layers with almost equal Fourier number values and when the value of the Fourier number was around 1/6, i.e., approximately 0.17. Statistical deviation analysis using the Statistical Analysis System was applied to assess the accuracy of the spreadsheet calculation and was developed on the basis of our established methodology. The mean and median absolute error as well as their confidence intervals has been estimated by the two methods with optimal accuracy ({F}_{oMDF}= 0.177 and F_{oEPS}= 0.1633 values).

Absorption and folding of melittin onto lipid bilayer membranes via unbiased atomic detail microsecond molecular dynamics simulation.

PubMed

Chen, Charles H; Wiedman, Gregory; Khan, Ayesha; Ulmschneider, Martin B

2014-09-01

Unbiased molecular simulation is a powerful tool to study the atomic details driving functional structural changes or folding pathways of highly fluid systems, which present great challenges experimentally. Here we apply unbiased long-timescale molecular dynamics simulation to study the ab initio folding and partitioning of melittin, a template amphiphilic membrane active peptide. The simulations reveal that the peptide binds strongly to the lipid bilayer in an unstructured configuration. Interfacial folding results in a localized bilayer deformation. Akin to purely hydrophobic transmembrane segments the surface bound native helical conformer is highly resistant against thermal denaturation. Circular dichroism spectroscopy experiments confirm the strong binding and thermostability of the peptide. The study highlights the utility of molecular dynamics simulations for studying transient mechanisms in fluid lipid bilayer systems. This article is part of a Special Issue entitled: Interfacially Active Peptides and Proteins. Guest Editors: William C. Wimley and Kalina Hristova. Copyright © 2014. Published by Elsevier B.V.

Development of the ARISTOTLE webware for cloud-based rarefied gas flow modeling

NASA Astrophysics Data System (ADS)

Deschenes, Timothy R.; Grot, Jonathan; Cline, Jason A.

2016-11-01

Rarefied gas dynamics are important for a wide variety of applications. An improvement in the ability of general users to predict these gas flows will enable optimization of current, and discovery of future processes. Despite this potential, most rarefied simulation software is designed by and for experts in the community. This has resulted in low adoption of the methods outside of the immediate RGD community. This paper outlines an ongoing effort to create a rarefied gas dynamics simulation tool that can be used by a general audience. The tool leverages a direct simulation Monte Carlo (DSMC) library that is available to the entire community and a web-based simulation process that will enable all users to take advantage of high performance computing capabilities. First, the DSMC library and simulation architecture are described. Then the DSMC library is used to predict a number of representative transient gas flows that are applicable to the rarefied gas dynamics community. The paper closes with a summary and future direction.

An Introduction to Transient Engine Applications Using the Numerical Propulsion System Simulation (NPSS) and MATLAB

NASA Technical Reports Server (NTRS)

Chin, Jeffrey C.; Csank, Jeffrey T.; Haller, William J.; Seidel, Jonathan A.

2016-01-01

This document outlines methodologies designed to improve the interface between the Numerical Propulsion System Simulation framework and various control and dynamic analyses developed in the Matlab and Simulink environment. Although NPSS is most commonly used for steady-state modeling, this paper is intended to supplement the relatively sparse documentation on it's transient analysis functionality. Matlab has become an extremely popular engineering environment, and better methodologies are necessary to develop tools that leverage the benefits of these disparate frameworks. Transient analysis is not a new feature of the Numerical Propulsion System Simulation (NPSS), but transient considerations are becoming more pertinent as multidisciplinary trade-offs begin to play a larger role in advanced engine designs. This paper serves to supplement the relatively sparse documentation on transient modeling and cover the budding convergence between NPSS and Matlab based modeling toolsets. The following sections explore various design patterns to rapidly develop transient models. Each approach starts with a base model built with NPSS, and assumes the reader already has a basic understanding of how to construct a steady-state model. The second half of the paper focuses on further enhancements required to subsequently interface NPSS with Matlab codes. The first method being the simplest and most straightforward but performance constrained, and the last being the most abstract. These methods aren't mutually exclusive and the specific implementation details could vary greatly based on the designer's discretion. Basic recommendations are provided to organize model logic in a format most easily amenable to integration with existing Matlab control toolsets.

Kinematics analysis of vertical magnetic suspension energy storage flywheel rotor under transient rotational speed

NASA Astrophysics Data System (ADS)

Ren, Zhengyi; Huang, Tong; Feng, Jiajia; Zhou, Yuanwei

2018-05-01

In this paper, a 600Wh vertical maglev energy storage flywheel rotor system is taken as a model. The motion equation of a rigid rotor considering the gyroscopic effect and the center of mass offset is obtained by the centroid theorem, and the experimental verification is carried out. Using the state variable method, the Matlab software was used to program and simulate the radial displacement and radial electromagnetic force of the rotor system at each speed. The results show that the established system model is in accordance with the designed 600Wh vertical maglev energy storage flywheel model. The results of the simulation analysis are helpful to further understand the dynamic nature of the flywheel rotor at different transient speeds.

Settlement statistics of a granular layer composed of polyhedral particles

NASA Astrophysics Data System (ADS)

Quezada, Juan Carlos; Saussine, Gilles; Breul, Pierre; Radjai, Farhang

2013-06-01

We use 3D contact dynamics simulations to investigate the mechanical equilibrium and settlement of a granular material composed of irregular polyhedral particles confined between two horizontal frictional planes. We show that, as a consequence of mobilized wall-particle friction force at the top and bottom boundaries, the transient deformation induced by a constant vertical load increment is controlled by the aspect ratio (thickness over width) of the packing as well as the stress ratio. The transient deformation declines considerably for increasingly smaller aspect ratios and grows with the stress ratio. From the simulation data for a large number of independent configurations, we find that sample-to-sample fluctuations of the deformation have a broad distribution and they scale with the average deformation.

Towards a unified description of the hydrogen bond network of liquid water: A dynamics based approach

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

Ozkanlar, Abdullah, E-mail: abdullah.ozkanlar@wsu.edu; Zhou, Tiecheng; Clark, Aurora E., E-mail: auclark@wsu.edu

2014-12-07

The definition of a hydrogen bond (H-bond) is intimately related to the topological and dynamic properties of the hydrogen bond network within liquid water. The development of a universal H-bond definition for water is an active area of research as it would remove many ambiguities in the network properties that derive from the fixed definition employed to assign whether a water dimer is hydrogen bonded. This work investigates the impact that an electronic-structure based definition, an energetic, and a geometric definition of the H-bond has upon both topological and dynamic network behavior of simulated water. In each definition, the usemore » of a cutoff (either geometric or energetic) to assign the presence of a H-bond leads to the formation of transiently bonded or broken dimers, which have been quantified within the simulation data. The relative concentration of transient species, and their duration, results in two of the three definitions sharing similarities in either topological or dynamic features (H-bond distribution, H-bond lifetime, etc.), however no two definitions exhibit similar behavior for both classes of network properties. In fact, two networks with similar local network topology (as indicated by similar average H-bonds) can have dramatically different global network topology (as indicated by the defect state distributions) and altered H-bond lifetimes. A dynamics based correction scheme is then used to remove artificially transient H-bonds and to repair artificially broken bonds within the network such that the corrected network exhibits the same structural and dynamic properties for two H-bond definitions (the properties of the third definition being significantly improved). The algorithm described represents a significant step forward in the development of a unified hydrogen bond network whose properties are independent of the original hydrogen bond definition that is employed.« less

Performance and Transient Behavior of Vertically Integrated Thin-film Silicon Sensors

PubMed Central

Wyrsch, Nicolas; Choong, Gregory; Miazza, Clément; Ballif, Christophe

2008-01-01

Vertical integration of amorphous hydrogenated silicon diodes on CMOS readout chips offers several advantages compared to standard CMOS imagers in terms of sensitivity, dynamic range and dark current while at the same time introducing some undesired transient effects leading to image lag. Performance of such sensors is here reported and their transient behaviour is analysed and compared to the one of corresponding amorphous silicon test diodes deposited on glass. The measurements are further compared to simulations for a deeper investigation. The long time constant observed in dark or photocurrent decay is found to be rather independent of the density of defects present in the intrinsic layer of the amorphous silicon diode. PMID:27873778

An efficient and stable hydrodynamic model with novel source term discretization schemes for overland flow and flood simulations

NASA Astrophysics Data System (ADS)

Xia, Xilin; Liang, Qiuhua; Ming, Xiaodong; Hou, Jingming

2017-05-01

Numerical models solving the full 2-D shallow water equations (SWEs) have been increasingly used to simulate overland flows and better understand the transient flow dynamics of flash floods in a catchment. However, there still exist key challenges that have not yet been resolved for the development of fully dynamic overland flow models, related to (1) the difficulty of maintaining numerical stability and accuracy in the limit of disappearing water depth and (2) inaccurate estimation of velocities and discharges on slopes as a result of strong nonlinearity of friction terms. This paper aims to tackle these key research challenges and present a new numerical scheme for accurately and efficiently modeling large-scale transient overland flows over complex terrains. The proposed scheme features a novel surface reconstruction method (SRM) to correctly compute slope source terms and maintain numerical stability at small water depth, and a new implicit discretization method to handle the highly nonlinear friction terms. The resulting shallow water overland flow model is first validated against analytical and experimental test cases and then applied to simulate a hypothetic rainfall event in the 42 km2 Haltwhistle Burn, UK.

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.

Dissolved Nutrient Retention Dynamics in River Networks: A Modeling Investigation of Transient Flow and Scale Effects

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

Ye, Sheng; Covino, Timothy P.; Sivapalan, Murugesu

In this paper, we use a dynamic network flow model, coupled with a transient storage zone biogeochemical model, to simulate dissolved nutrient removal processes at the channel network scale. We have explored several scenarios in respect of the combination of rainfall variability, and the biological and geomorphic characteristics of the catchment, to understand the dominant controls on removal and delivery of dissolved nutrients (e.g., nitrate). These model-based theoretical analyses suggested that while nutrient removal efficiency is lower during flood events compared to during baseflow periods, flood events contribute significantly to bulk nutrient removal, whereas bulk removal during baseflow periods ismore » less. This is due to the fact that nutrient supply is larger during flood events; this trend is even stronger in large rivers. However, the efficiency of removal during both periods decreases in larger rivers, however, due to (i) increasing flow velocities and thus decreasing residence time, and (ii) increasing flow depth, and thus decreasing nutrient uptake rates. Besides nutrient removal processes can be divided into two parts: in the main channel and in the hyporheic transient storage zone. When assessing their relative contributions the size of the transient storage zone is a dominant control, followed by uptake rates in the main channel and in the transient storage zone. Increasing size of the transient storage zone with downstream distance affects the relative contributions to nutrient removal of the water column and the transient storage zone, which also impacts the way nutrient removal rates scale with increasing size of rivers. Intra-annual hydrologic variability has a significant impact on removal rates at all scales: the more variable the streamflow is, compared to mean discharge, the less nutrient is removed in the channel network. A scale-independent first order uptake coefficient, ke, estimated from model simulations, is highly dependent on the relative size of the transient storage zone and how it changes in the downstream direction, as well as the nature of hydrologic variability.« less

Transient chaos - a resolution of breakdown of quantum-classical correspondence in optomechanics.

PubMed

Wang, Guanglei; Lai, Ying-Cheng; Grebogi, Celso

2016-10-17

Recently, the phenomenon of quantum-classical correspondence breakdown was uncovered in optomechanics, where in the classical regime the system exhibits chaos but in the corresponding quantum regime the motion is regular - there appears to be no signature of classical chaos whatsoever in the corresponding quantum system, generating a paradox. We find that transient chaos, besides being a physically meaningful phenomenon by itself, provides a resolution. Using the method of quantum state diffusion to simulate the system dynamics subject to continuous homodyne detection, we uncover transient chaos associated with quantum trajectories. The transient behavior is consistent with chaos in the classical limit, while the long term evolution of the quantum system is regular. Transient chaos thus serves as a bridge for the quantum-classical transition (QCT). Strikingly, as the system transitions from the quantum to the classical regime, the average chaotic transient lifetime increases dramatically (faster than the Ehrenfest time characterizing the QCT for isolated quantum systems). We develop a physical theory to explain the scaling law.

Transient chaos - a resolution of breakdown of quantum-classical correspondence in optomechanics

PubMed Central

Wang, Guanglei; Lai, Ying-Cheng; Grebogi, Celso

2016-01-01

Recently, the phenomenon of quantum-classical correspondence breakdown was uncovered in optomechanics, where in the classical regime the system exhibits chaos but in the corresponding quantum regime the motion is regular - there appears to be no signature of classical chaos whatsoever in the corresponding quantum system, generating a paradox. We find that transient chaos, besides being a physically meaningful phenomenon by itself, provides a resolution. Using the method of quantum state diffusion to simulate the system dynamics subject to continuous homodyne detection, we uncover transient chaos associated with quantum trajectories. The transient behavior is consistent with chaos in the classical limit, while the long term evolution of the quantum system is regular. Transient chaos thus serves as a bridge for the quantum-classical transition (QCT). Strikingly, as the system transitions from the quantum to the classical regime, the average chaotic transient lifetime increases dramatically (faster than the Ehrenfest time characterizing the QCT for isolated quantum systems). We develop a physical theory to explain the scaling law. PMID:27748418

Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species

DOE PAGES

Norell, Jesper; Jay, Raphael M.; Hantschmann, Markus; ...

2018-02-20

Here, we describe how inversion symmetry separation of electronic state manifolds in resonant inelastic soft X-ray scattering (RIXS) can be applied to probe excited-state dynamics with compelling selectivity. In a case study of Fe L 3-edge RIXS in the ferricyanide complex Fe(CN) 6 3-, we demonstrate with multi-configurational restricted active space spectrum simulations how the information content of RIXS spectral fingerprints can be used to unambiguously separate species of different electronic configurations, spin multiplicities, and structures, with possible involvement in the decay dynamics of photo-excited ligand-to-metal charge-transfer. Specifically, we propose that this could be applied to confirm or reject themore » presence of a hitherto elusive transient Quartet species. Thus, RIXS offers a particular possibility to settle a recent controversy regarding the decay pathway, and we expect the technique to be similarly applicable in other model systems of photo-induced dynamics.« less

Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species

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

Norell, Jesper; Jay, Raphael M.; Hantschmann, Markus

Here, we describe how inversion symmetry separation of electronic state manifolds in resonant inelastic soft X-ray scattering (RIXS) can be applied to probe excited-state dynamics with compelling selectivity. In a case study of Fe L 3-edge RIXS in the ferricyanide complex Fe(CN) 6 3-, we demonstrate with multi-configurational restricted active space spectrum simulations how the information content of RIXS spectral fingerprints can be used to unambiguously separate species of different electronic configurations, spin multiplicities, and structures, with possible involvement in the decay dynamics of photo-excited ligand-to-metal charge-transfer. Specifically, we propose that this could be applied to confirm or reject themore » presence of a hitherto elusive transient Quartet species. Thus, RIXS offers a particular possibility to settle a recent controversy regarding the decay pathway, and we expect the technique to be similarly applicable in other model systems of photo-induced dynamics.« less

A model for prediction of STOVL ejector dynamics

NASA Technical Reports Server (NTRS)

Drummond, Colin K.

1989-01-01

A semi-empirical control-volume approach to ejector modeling for transient performance prediction is presented. This new approach is motivated by the need for a predictive real-time ejector sub-system simulation for Short Take-Off Verticle Landing (STOVL) integrated flight and propulsion controls design applications. Emphasis is placed on discussion of the approximate characterization of the mixing process central to thrust augmenting ejector operation. The proposed ejector model suggests transient flow predictions are possible with a model based on steady-flow data. A practical test case is presented to illustrate model calibration.

Comparative Risks of Aldehyde Constituents in Cigarette Smoke Using Transient Computational Fluid Dynamics/Physiologically Based Pharmacokinetic Models of the Rat and Human Respiratory Tracts

PubMed Central

Corley, Richard A.; Kabilan, Senthil; Kuprat, Andrew P.; Carson, James P.; Jacob, Richard E.; Minard, Kevin R.; Teeguarden, Justin G.; Timchalk, Charles; Pipavath, Sudhakar; Glenny, Robb; Einstein, Daniel R.

2015-01-01

Computational fluid dynamics (CFD) modeling is well suited for addressing species-specific anatomy and physiology in calculating respiratory tissue exposures to inhaled materials. In this study, we overcame prior CFD model limitations to demonstrate the importance of realistic, transient breathing patterns for predicting site-specific tissue dose. Specifically, extended airway CFD models of the rat and human were coupled with airway region-specific physiologically based pharmacokinetic (PBPK) tissue models to describe the kinetics of 3 reactive constituents of cigarette smoke: acrolein, acetaldehyde and formaldehyde. Simulations of aldehyde no-observed-adverse-effect levels for nasal toxicity in the rat were conducted until breath-by-breath tissue concentration profiles reached steady state. Human oral breathing simulations were conducted using representative aldehyde yields from cigarette smoke, measured puff ventilation profiles and numbers of cigarettes smoked per day. As with prior steady-state CFD/PBPK simulations, the anterior respiratory nasal epithelial tissues received the greatest initial uptake rates for each aldehyde in the rat. However, integrated time- and tissue depth-dependent area under the curve (AUC) concentrations were typically greater in the anterior dorsal olfactory epithelium using the more realistic transient breathing profiles. For human simulations, oral and laryngeal tissues received the highest local tissue dose with greater penetration to pulmonary tissues than predicted in the rat. Based upon lifetime average daily dose comparisons of tissue hot-spot AUCs (top 2.5% of surface area-normalized AUCs in each region) and numbers of cigarettes smoked/day, the order of concern for human exposures was acrolein > formaldehyde > acetaldehyde even though acetaldehyde yields were 10-fold greater than formaldehyde and acrolein. PMID:25858911

Modeling transient gain dynamics in a cladding-pumped Yb-doped fiber ampliefier pulsed at low repetition rates

NASA Technical Reports Server (NTRS)

Valley, G. C.; Wright, M.

2001-01-01

Simulations of 1-50 kHz repetition rate, pulsed Yb-fiber amplifiers show peak powers to 10 kW with half-widths < 30 ns, consistent with commercial amplifier performance. This device is a potential source for deep space-communication.

Steady-state and transitional aerodynamic characteristics of a wing in simulated heavy rain

NASA Technical Reports Server (NTRS)

Campbell, Bryan A.; Bezos, Gaudy M.

1989-01-01

The steady-state and transient effects of simulated heavy rain on the subsonic aerodynamic characteristics of a wing model were determined in the Langley 14- by 22-Foot Subsonic Tunnel. The 1.29 foot chord wing was comprised of a NACA 23015 airfoil and had an aspect ratio of 6.10. Data were obtained while test variables of liquid water content, angle of attack, and trailing edge flap angle were parametrically varied at dynamic pressures of 10, 30, and 50 psf (i.e., Reynolds numbers of .76x10(6), 1.31x10(6), and 1.69x10(6)). The experimental results showed reductions in lift and increases in drag when in the simulated rain environment. Accompanying this was a reduction of the stall angle of attack by approximately 4 deg. The transient aerodynamic performance during transition from dry to wet steady-state conditions varied between a linear and a nonlinear transition.

Electron-ion coupling in semiconductors beyond Fermi's Golden Rule [On the electron-ion coupling in semiconductors beyond Fermi's Golden Rule

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

Medvedev, Nikita; Li, Zheng; Tkachenko, Victor

2017-01-31

In the present study, a theoretical study of electron-phonon (electron-ion) coupling rates in semiconductors driven out of equilibrium is performed. Transient change of optical coefficients reflects the band gap shrinkage in covalently bonded materials, and thus, the heating of atomic lattice. Utilizing this dependence, we test various models of electron-ion coupling. The simulation technique is based on tight-binding molecular dynamics. Our simulations with the dedicated hybrid approach (XTANT) indicate that the widely used Fermi's golden rule can break down describing material excitation on femtosecond time scales. In contrast, dynamical coupling proposed in this work yields a reasonably good agreement ofmore » simulation results with available experimental data.« less

Digital Moiré based transient interferometry and its application in optical surface measurement

NASA Astrophysics Data System (ADS)

Hao, Qun; Tan, Yifeng; Wang, Shaopu; Hu, Yao

2017-10-01

Digital Moiré based transient interferometry (DMTI) is an effective non-contact testing methods for optical surfaces. In DMTI system, only one frame of real interferogram is experimentally captured for the transient measurement of the surface under test (SUT). When combined with partial compensation interferometry (PCI), DMTI is especially appropriate for the measurement of aspheres with large apertures, large asphericity or different surface parameters. Residual wavefront is allowed in PCI, so the same partial compensator can be applied to the detection of multiple SUTs. Excessive residual wavefront aberration results in spectrum aliasing, and the dynamic range of DMTI is limited. In order to solve this problem, a method based on wavelet transform is proposed to extract phase from the fringe pattern with spectrum aliasing. Results of simulation demonstrate the validity of this method. The dynamic range of Digital Moiré technology is effectively expanded, which makes DMTI prospective in surface figure error measurement for intelligent fabrication of aspheric surfaces.

Mapping transiently formed and sparsely populated conformations on a complex energy landscape

PubMed Central

Wang, Yong; Papaleo, Elena; Lindorff-Larsen, Kresten

2016-01-01

Determining the structures, kinetics, thermodynamics and mechanisms that underlie conformational exchange processes in proteins remains extremely difficult. Only in favourable cases is it possible to provide atomic-level descriptions of sparsely populated and transiently formed alternative conformations. Here we benchmark the ability of enhanced-sampling molecular dynamics simulations to determine the free energy landscape of the L99A cavity mutant of T4 lysozyme. We find that the simulations capture key properties previously measured by NMR relaxation dispersion methods including the structure of a minor conformation, the kinetics and thermodynamics of conformational exchange, and the effect of mutations. We discover a new tunnel that involves the transient exposure towards the solvent of an internal cavity, and show it to be relevant for ligand escape. Together, our results provide a comprehensive view of the structural landscape of a protein, and point forward to studies of conformational exchange in systems that are less characterized experimentally. DOI: http://dx.doi.org/10.7554/eLife.17505.001 PMID:27552057

A real time Pegasus propulsion system model for VSTOL piloted simulation evaluation

NASA Technical Reports Server (NTRS)

Mihaloew, J. R.; Roth, S. P.; Creekmore, R.

1981-01-01

A real time propulsion system modeling technique suitable for use in man-in-the-loop simulator studies was developd. This technique provides the system accuracy, stability, and transient response required for integrated aircraft and propulsion control system studies. A Pegasus-Harrier propulsion system was selected as a baseline for developing mathematical modeling and simulation techniques for VSTOL. Initially, static and dynamic propulsion system characteristics were modeled in detail to form a nonlinear aerothermodynamic digital computer simulation of a Pegasus engine. From this high fidelity simulation, a real time propulsion model was formulated by applying a piece-wise linear state variable methodology. A hydromechanical and water injection control system was also simulated. The real time dynamic model includes the detail and flexibility required for the evaluation of critical control parameters and propulsion component limits over a limited flight envelope. The model was programmed for interfacing with a Harrier aircraft simulation. Typical propulsion system simulation results are presented.

Dynamic Modeling of Starting Aerodynamics and Stage Matching in an Axi-Centrifugal Compressor

NASA Technical Reports Server (NTRS)

Wilkes, Kevin; OBrien, Walter F.; Owen, A. Karl

1996-01-01

A DYNamic Turbine Engine Compressor Code (DYNTECC) has been modified to model speed transients from 0-100% of compressor design speed. The impetus for this enhancement was to investigate stage matching and stalling behavior during a start sequence as compared to rotating stall events above ground idle. The model can simulate speed and throttle excursions simultaneously as well as time varying bleed flow schedules. Results of a start simulation are presented and compared to experimental data obtained from an axi-centrifugal turboshaft engine and companion compressor rig. Stage by stage comparisons reveal the front stages to be operating in or near rotating stall through most of the start sequence. The model matches the starting operating line quite well in the forward stages with deviations appearing in the rearward stages near the start bleed. Overall, the performance of the model is very promising and adds significantly to the dynamic simulation capabilities of DYNTECC.

Simulator predicts transient flow for Malaysian subsea pipeline

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

Inayat-Hussain, A.A.; Ayob, M.S.; Zain, A.B.M.

1996-04-15

In a step towards acquiring in-house capability in multiphase flow technology, Petronas Research and Scientific Services Sdn. Bhd., Kuala Lumpur, has developed two-phase flow simulation software for analyzing slow gas-condensate transient flow. Unlike its general-purpose contemporaries -- TACITE, OLGA, Traflow (OGJ, Jan. 3, 1994, p. 42; OGJ, Jan. 10, 1994, p. 52), and PLAC (AEA Technology, U.K.) -- ABASs is a dedicated software for slow transient flows generated during pigging operations in the Duyong network, offshore Malaysia. This network links the Duyong and Bekok fields to the onshore gas terminal (OGT) on the east coast of peninsular Malaysia. It predictsmore » the steady-state pressure drop vs. flow rates, condensate volume in the network, pigging dynamics including volume of produced slug, and the condensate build-up following pigging. The predictions of ABASs have been verified against field data obtained from the Duyong network. Presented here is an overview of the development, verification, and application of the ABASs software. Field data are presented for verification of the software, and several operational scenarios are simulated using the software. The field data and simulation study documented here will provide software users and developers with a further set of results on which to benchmark their own software and two-phase pipeline operating guidelines.« less

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

NASA Astrophysics Data System (ADS)

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

2016-08-01

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

Design and dynamic simulation of a fixed pitch 56 kW wind turbine drive train with a continuously variable transmission

NASA Technical Reports Server (NTRS)

Gallo, C.; Kasuba, R.; Pintz, A.; Spring, J.

1986-01-01

The dynamic analysis of a horizontal axis fixed pitch wind turbine generator (WTG) rated at 56 kW is discussed. A mechanical Continuously Variable Transmission (CVT) was incorporated in the drive train to provide variable speed operation capability. One goal of the dynamic analysis was to determine if variable speed operation, by means of a mechanical CVT, is capable of capturing the transient power in the WTG/wind environment. Another goal was to determine the extent of power regulation possible with CVT operation.

Dynamic biogas upgrading based on the Sabatier process: thermodynamic and dynamic process simulation.

PubMed

Jürgensen, Lars; Ehimen, Ehiaze Augustine; Born, Jens; Holm-Nielsen, Jens Bo

2015-02-01

This study aimed to investigate the feasibility of substitute natural gas (SNG) generation using biogas from anaerobic digestion and hydrogen from renewable energy systems. Using thermodynamic equilibrium analysis, kinetic reactor modeling and transient simulation, an integrated approach for the operation of a biogas-based Sabatier process was put forward, which was then verified using a lab scale heterogenous methanation reactor. The process simulation using a kinetic reactor model demonstrated the feasibility of the production of SNG at gas grid standards using a single reactor setup. The Wobbe index, CO2 content and calorific value were found to be controllable by the H2/CO2 ratio fed the methanation reactor. An optimal H2/CO2 ratio of 3.45-3.7 was seen to result in a product gas with high calorific value and Wobbe index. The dynamic reactor simulation verified that the process start-up was feasible within several minutes to facilitate surplus electricity use from renewable energy systems. Copyright © 2014 Elsevier Ltd. All rights reserved.

String flash-boiling in gasoline direct injection simulations with transient needle motion

DOE PAGES

Baldwin, Eli T.; Grover, Jr., Ronald O.; Parrish, Scott E.; ...

2016-09-06

A computational study was performed to investigate the influence of transient needle motion on gasoline direct injection (GDI) internal nozzle flow and near-field sprays. Simulations were conducted with a compressible Eulerian flow solver modeling liquid, vapor, and non-condensable gas phases with a diffuse interface. Variable rate generation and condensation of fuel vapor were captured using the homogeneous relaxation model (HRM). The non-flashing (spray G) and flashing (spray G2) conditions specified by the Engine Combustion Network were modeled using the nominal spray G nozzle geometry and transient needle lift and wobble were based upon ensemble averaged x-ray imaging preformed at Argonnemore » National Lab. The minimum needle lift simulated was 5 μm and dynamic mesh motion was achieved with Laplacian smoothing. The results were qualitatively validated against experimental imaging and the experimental rate of injection profile was captured accurately using pressure boundary conditions and needle motion to actu- ate the injection. Needle wobble was found to have no measurable effect on the flow. Low needle lift is shown to result in vapor generation as fuel rushes past the needle. In conclusion, the internal injector flow is shown to contain many transient and interacting vortices which cause perturbations in the spray angle, fluctuations in the mass flux, and frequently result in string flash-boiling.« less

String flash-boiling in gasoline direct injection simulations with transient needle motion

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

Baldwin, Eli T.; Grover, Jr., Ronald O.; Parrish, Scott E.

A computational study was performed to investigate the influence of transient needle motion on gasoline direct injection (GDI) internal nozzle flow and near-field sprays. Simulations were conducted with a compressible Eulerian flow solver modeling liquid, vapor, and non-condensable gas phases with a diffuse interface. Variable rate generation and condensation of fuel vapor were captured using the homogeneous relaxation model (HRM). The non-flashing (spray G) and flashing (spray G2) conditions specified by the Engine Combustion Network were modeled using the nominal spray G nozzle geometry and transient needle lift and wobble were based upon ensemble averaged x-ray imaging preformed at Argonnemore » National Lab. The minimum needle lift simulated was 5 μm and dynamic mesh motion was achieved with Laplacian smoothing. The results were qualitatively validated against experimental imaging and the experimental rate of injection profile was captured accurately using pressure boundary conditions and needle motion to actu- ate the injection. Needle wobble was found to have no measurable effect on the flow. Low needle lift is shown to result in vapor generation as fuel rushes past the needle. In conclusion, the internal injector flow is shown to contain many transient and interacting vortices which cause perturbations in the spray angle, fluctuations in the mass flux, and frequently result in string flash-boiling.« less

Kinematic Model of Transient Shape-Induced Anisotropy in Dense Granular Flow

NASA Astrophysics Data System (ADS)

Nadler, B.; Guillard, F.; Einav, I.

2018-05-01

Nonspherical particles are ubiquitous in nature and industry, yet previous theoretical models of granular media are mostly limited to systems of spherical particles. The problem is that in systems of nonspherical anisotropic particles, dynamic particle alignment critically affects their mechanical response. To study the tendency of such particles to align, we propose a simple kinematic model that relates the flow to the evolution of particle alignment with respect to each other. The validity of the proposed model is supported by comparison with particle-based simulations for various particle shapes ranging from elongated rice-like (prolate) to flattened lentil-like (oblate) particles. The model shows good agreement with the simulations for both steady-state and transient responses, and advances the development of comprehensive constitutive models for shape-anisotropic particles.

Computer program for a four-cylinder-Stirling-engine controls simulation

NASA Technical Reports Server (NTRS)

Daniels, C. J.; Lorenzo, C. F.

1982-01-01

A four cylinder Stirling engine, transient engine simulation computer program is presented. The program is intended for controls analysis. The associated engine model was simplified to shorten computer calculation time. The model includes engine mechanical drive dynamics and vehicle load effects. The computer program also includes subroutines that allow: (1) acceleration of the engine by addition of hydrogen to the system, and (2) braking of the engine by short circuiting of the working spaces. Subroutines to calculate degraded engine performance (e.g., due to piston ring and piston rod leakage) are provided. Input data required to run the program are described and flow charts are provided. The program is modular to allow easy modification of individual routines. Examples of steady state and transient results are presented.

Multi-physics transient simulation of monolithic niobium dioxide-tantalum dioxide memristor-selector structures

NASA Astrophysics Data System (ADS)

Sevic, John F.; Kobayashi, Nobuhiko P.

2017-10-01

Self-assembled niobium dioxide (NbO2) thin-film selectors self-aligned to tantalum dioxide (TaO2) memristive memory cells are studied by a multi-physics transient solution of the heat equation coupled to the nonlinear current continuity equation. While a compact model can resolve the quasi-static bulk negative differential resistance (NDR), a self-consistent coupled transport formulation provides a non-equilibrium picture of NbO2-TaO2 selector-memristor operation ab initio. By employing the drift-diffusion transport approximation, a finite element method is used to study the dynamic electrothermal behavior of our experimentally obtained selector-memristor devices, showing that existing conditions are suitable for electroformation of NbO2 selector thin-films. Both transient and steady-state simulations support our theory, suggesting that the phase change due to insulator-metal transition is responsible for NbO2 selector NDR in our as-fabricated selector-memristor devices. Simulation results further suggest that TiN nano-via may play a central role in electroforming, as its dimensions and material properties establish the mutual electrothermal interaction between TiN nano-via and the selector-memristor.

Changes in Moisture Flux Over the Tibetan Plateau During 1979-2011: Insights from a High Resolution Simulation

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

Gao, Yanhong; Leung, Lai-Yung R.; Zhang, Yongxin

2015-05-01

Net precipitation (precipitation minus evapotranspiration, P-E) changes from a high resolution regional climate simulation and its reanalysis forcing are analyzed over the Tibet Plateau (TP) and compared to the global land data assimilation system (GLDAS) product. The mechanism behind the P-E changes is explored by decomposing the column integrated moisture flux convergence into thermodynamic, dynamic, and transient eddy components. High-resolution climate simulation improves the spatial pattern of P-E changes over the best available global reanalysis. Improvement in simulating precipitation changes at high elevations contributes dominantly to the improved P-E changes. High-resolution climate simulation also facilitates new and substantial findings regardingmore » the role of thermodynamics and transient eddies in P-E changes reflected in observed changes in major river basins fed by runoff from the TP. The analysis revealed the contrasting convergence/divergence changes between the northwestern and southeastern TP and feedback through latent heat release as an important mechanism leading to the mean P-E changes in the TP.« less

The dynamic response and shock-recovery of porcine skeletal muscle tissue

NASA Astrophysics Data System (ADS)

Wilgeroth, James Michael; Hazell, Paul; Appleby-Thomas, Gareth James

2012-03-01

A soft-capture system allowing for one-dimensional shock loading and release of soft tissues via the plate-impact technique has been developed. In addition, we present the numerical simulation of a shock-recovery experiment involving porcine skeletal muscle and further investigate the effects of the transient wave on the structure of the tissue via transmission electron microscope (TEM). This paper forms part of an ongoing research programme on the dynamic behaviour of skeletal muscle tissue.

Propulsion Controls Modeling for a Small Turbofan Engine

NASA Technical Reports Server (NTRS)

Connolly, Joseph W.; Csank, Jeffrey T.; Chicatelli, Amy; Franco, Kevin

2017-01-01

A nonlinear dynamic model and propulsion controller are developed for a small-scale turbofan engine. The small-scale turbofan engine is based on the Price Induction company's DGEN 380, one of the few turbofan engines targeted for the personal light jet category. Comparisons of the nonlinear dynamic turbofan engine model to actual DGEN 380 engine test data and a Price Induction simulation are provided. During engine transients, the nonlinear model typically agrees within 10 percent error, even though the nonlinear model was developed from limited available engine data. A gain scheduled proportional integral low speed shaft controller with limiter safety logic is created to replicate the baseline DGEN 380 controller. The new controller provides desired gain and phase margins and is verified to meet Federal Aviation Administration transient propulsion system requirements. In understanding benefits, there is a need to move beyond simulation for the demonstration of advanced control architectures and technologies by using real-time systems and hardware. The small-scale DGEN 380 provides a cost effective means to accomplish advanced controls testing on a relevant turbofan engine platform.

DYGABCD: A program for calculating linear A, B, C, and D matrices from a nonlinear dynamic engine simulation

NASA Technical Reports Server (NTRS)

Geyser, L. C.

1978-01-01

A digital computer program, DYGABCD, was developed that generates linearized, dynamic models of simulated turbofan and turbojet engines. DYGABCD is based on an earlier computer program, DYNGEN, that is capable of calculating simulated nonlinear steady-state and transient performance of one- and two-spool turbojet engines or two- and three-spool turbofan engines. Most control design techniques require linear system descriptions. For multiple-input/multiple-output systems such as turbine engines, state space matrix descriptions of the system are often desirable. DYGABCD computes the state space matrices commonly referred to as the A, B, C, and D matrices required for a linear system description. The report discusses the analytical approach and provides a users manual, FORTRAN listings, and a sample case.

Mechanism of transient force augmentation varying with two distinct timescales for interacting vortex rings

NASA Astrophysics Data System (ADS)

Fu, Zhidong; Qin, Suyang; Liu, Hong

2014-01-01

The dynamics of dual vortex ring flows is studied experimentally and numerically in a model system that consists of a piston-cylinder apparatus. The flows are generated by double identical strokes which have the velocity profile characterized by the sinusoidal function of half the period. By calculating the total wake impulse in two strokes in the experiments, it is found that the average propulsive force increases by 50% in the second stroke for the sufficiently small stroke length, compared with the first stroke. In the numerical simulations, two types of transient force augmentation are revealed, there being the transient force augmentation for the small stroke lengths and the absolute transient force augmentation for the large stroke lengths. The relative transient force augmentation increases to 78% for L/D = 1, while the absolute transient force augmentation for L/D = 4 is twice as much as that for L/D = 1. Further investigation demonstrates that the force augmentation is attributed to the interaction between vortex rings, which induces transport of vortex impulse and more evident fluid entrainment. The critical situation of vortex ring separation is defined and indicated, with vortex spacing falling in a narrow gap when the stroke lengths vary. A new model is proposed concerning the limiting process of impulse, further suggesting that apart from vortex formation timescale, vortex spacing should be interpreted as an independent timescale to reflect the dynamics of vortex interaction.

Transient Vibration Prediction for Rotors on Ball Bearings Using Load-dependent Non-linear Bearing Stiffness

NASA Technical Reports Server (NTRS)

Fleming, David P.; Poplawski, J. V.

2002-01-01

Rolling-element bearing forces vary nonlinearly with bearing deflection. Thus an accurate rotordynamic transient analysis requires bearing forces to be determined at each step of the transient solution. Analyses have been carried out to show the effect of accurate bearing transient forces (accounting for non-linear speed and load dependent bearing stiffness) as compared to conventional use of average rolling-element bearing stiffness. Bearing forces were calculated by COBRA-AHS (Computer Optimized Ball and Roller Bearing Analysis - Advanced High Speed) and supplied to the rotordynamics code ARDS (Analysis of Rotor Dynamic Systems) for accurate simulation of rotor transient behavior. COBRA-AHS is a fast-running 5 degree-of-freedom computer code able to calculate high speed rolling-element bearing load-displacement data for radial and angular contact ball bearings and also for cylindrical and tapered roller beatings. Results show that use of nonlinear bearing characteristics is essential for accurate prediction of rotordynamic behavior.

Steady-State and Transient Groundwater Flow and Advective Transport, Eastern Snake River Plain Aquifer, Idaho National Laboratory and Vicinity, Idaho

NASA Astrophysics Data System (ADS)

Fisher, J. C.; Ackerman, D. J.; Rousseau, J. P.; Rattray, G. W.

2009-12-01

Three-dimensional steady-state and transient models of groundwater flow and advective transport through the fractured basalts and interbedded sediments of the Eastern Snake River Plain (ESRP) aquifer were developed by the U.S. Geological Survey in cooperation with the U.S. Department of Energy. The model domain covers an area of 1,940 square miles that includes most of the Idaho National Laboratory (INL). A 50-year history of waste disposal at the INL has resulted in measurable concentrations of waste contaminants in the aquifer. Numerical models simulated 1980 steady-state conditions and transient flow for 1980-95. In the transient model, streamflow infiltration was the major stress. The models were calibrated using the parameter-estimation program incorporated in MODFLOW-2000. The steady-state model reasonably simulated the observed water-table altitude and gradients. Simulation of transient conditions reproduced changes in the flow system resulting from episodic infiltration from the Big Lost River. Analysis of simulations shows that flow is (1) dominantly horizontal through interflow zones in basalt, vertical anisotropy resulting from contrasts in hydraulic conductivity of different types of basalt and the interbedded sediments, (2) temporally variable due to streamflow infiltration from the Big Lost River, and (3) moving downward downgradient of the INL. Particle-tracking simulations were used to evaluate how simulated groundwater flow paths and travel times differ between the steady-state and transient flow models, and how well model-derived groundwater flow directions and velocities compare to independently-derived estimates. Particle tracking also was used to simulate the growth of tritium plumes originating at two INL facilities over a 16 year period under steady-state and transient flow conditions (1953-68). The shape, dimensions, and areal extent of these plumes were compared to a map of the plumes for 1968 from tritium releases beginning in 1952. Collectively, the particle-tracking simulations indicate that groundwater flow paths and velocities, based on uncalibrated estimates of porosity, are influenced by the dynamic character of the water table and the large contrasts in the hydraulic properties of the media, primarily hydraulic conductivity. Simulation results also indicate that temporal changes in the local hydraulic gradient can account for some of the observed dispersion of contaminants in the aquifer near the major sources of contamination and perhaps the majority of the observed dispersion several miles downgradient of these facilities. The distance downgradient of the facilities where simulated particle plumes were able to reasonably reproduce the 1968 tritium plume extended only to the boundary separating sediment-rich from sediment-poor aquifer layers about 4 mi downgradient of the contaminant source. Particle plumes simulated beyond this boundary were narrow and long, and did not reasonably reproduce the shape, dimensions, or position of the leading edge of the tritium plume; however, few data were available to characterize its true areal extent and shape.

Turbofan compressor dynamics during afterburner transients

NASA Technical Reports Server (NTRS)

Kurkov, A. P.

1975-01-01

The effects of afterburner light-off and shut-down transients on compressor stability were investigated. Experimental results are based on detailed high-response pressure and temperature measurements on the Tf30-p-3 turbofan engine. The tests were performed in an altitude test chamber simulating high-altitude engine operation. It is shown that during both types of transients, flow breaks down in the forward part of the fan-bypass duct. At a sufficiently low engine inlet pressure this resulted in a compressor stall. Complete flow breakdown within the compressor was preceded by a rotating stall. At some locations in the compressor, rotating stall cells initially extended only through part of the blade span. For the shutdown transient, the time between first and last detected occurrence of rotating stall is related to the flow Reynolds number. An attempt was made to deduce the number and speed of propagation of rotating stall cells.

A framework for studying transient dynamics of population projection matrix models.

PubMed

Stott, Iain; Townley, Stuart; Hodgson, David James

2011-09-01

Empirical models are central to effective conservation and population management, and should be predictive of real-world dynamics. Available modelling methods are diverse, but analysis usually focuses on long-term dynamics that are unable to describe the complicated short-term time series that can arise even from simple models following ecological disturbances or perturbations. Recent interest in such transient dynamics has led to diverse methodologies for their quantification in density-independent, time-invariant population projection matrix (PPM) models, but the fragmented nature of this literature has stifled the widespread analysis of transients. We review the literature on transient analyses of linear PPM models and synthesise a coherent framework. We promote the use of standardised indices, and categorise indices according to their focus on either convergence times or transient population density, and on either transient bounds or case-specific transient dynamics. We use a large database of empirical PPM models to explore relationships between indices of transient dynamics. This analysis promotes the use of population inertia as a simple, versatile and informative predictor of transient population density, but criticises the utility of established indices of convergence times. Our findings should guide further development of analyses of transient population dynamics using PPMs or other empirical modelling techniques. © 2011 Blackwell Publishing Ltd/CNRS.

A Novel Interfacing Technique for Distributed Hybrid Simulations Combining EMT and Transient Stability Models

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

Shu, Dewu; Xie, Xiaorong; Jiang, Qirong

With steady increase of power electronic devices and nonlinear dynamic loads in large scale AC/DC systems, the traditional hybrid simulation method, which incorporates these components into a single EMT subsystem and hence causes great difficulty for network partitioning and significant deterioration in simulation efficiency. To resolve these issues, a novel distributed hybrid simulation method is proposed in this paper. The key to realize this method is a distinct interfacing technique, which includes: i) a new approach based on the two-level Schur complement to update the interfaces by taking full consideration of the couplings between different EMT subsystems; and ii) amore » combined interaction protocol to further improve the efficiency while guaranteeing the simulation accuracy. The advantages of the proposed method in terms of both efficiency and accuracy have been verified by using it for the simulation study of an AC/DC hybrid system including a two-terminal VSC-HVDC and nonlinear dynamic loads.« less

Deployment Simulation Methods for Ultra-Lightweight Inflatable Structures

NASA Technical Reports Server (NTRS)

Wang, John T.; Johnson, Arthur R.

2003-01-01

Two dynamic inflation simulation methods are employed for modeling the deployment of folded thin-membrane tubes. The simulations are necessary because ground tests include gravity effects and may poorly represent deployment in space. The two simulation methods are referred to as the Control Volume (CV) method and the Arbitrary Lagrangian Eulerian (ALE) method. They are available in the LS-DYNA nonlinear dynamic finite element code. Both methods are suitable for modeling the interactions between the inflation gas and the thin-membrane tube structures. The CV method only considers the pressure induced by the inflation gas in the simulation, while the ALE method models the actual flow of the inflation gas. Thus, the transient fluid properties at any location within the tube can be predicted by the ALE method. Deployment simulations of three packaged tube models; namely coiled, Z-folded, and telescopically-folded configurations, are performed. Results predicted by both methods for the telescopically-folded configuration are correlated and computational efficiency issues are discussed.

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.

Transient recovery dynamics of a predator-prey system under press and pulse disturbances.

PubMed

Karakoç, Canan; Singer, Alexander; Johst, Karin; Harms, Hauke; Chatzinotas, Antonis

2017-04-04

Species recovery after disturbances depends on the strength and duration of disturbance, on the species traits and on the biotic interactions with other species. In order to understand these complex relationships, it is essential to understand mechanistically the transient dynamics of interacting species during and after disturbances. We combined microcosm experiments with simulation modelling and studied the transient recovery dynamics of a simple microbial food web under pulse and press disturbances and under different predator couplings to an alternative resource. Our results reveal that although the disturbances affected predator and prey populations by the same mortality, predator populations suffered for a longer time. The resulting diminished predation stress caused a temporary phase of high prey population sizes (i.e. prey release) during and even after disturbances. Increasing duration and strength of disturbances significantly slowed down the recovery time of the predator prolonging the phase of prey release. However, the additional coupling of the predator to an alternative resource allowed the predator to recover faster after the disturbances thus shortening the phase of prey release. Our findings are not limited to the studied system and can be used to understand the dynamic response and recovery potential of many natural predator-prey or host-pathogen systems. They can be applied, for instance, in epidemiological and conservational contexts to regulate prey release or to avoid extinction risk of the top trophic levels under different types of disturbances.

Early Results from Solar Dynamic Space Power System Testing

NASA Technical Reports Server (NTRS)

Shaltens, Richard K.; Mason, Lee S.

1996-01-01

A government/industry team designed, built and tested a 2-kWe solar dynamic space power system in a large thermal vacuum facility with a simulated Sun at the NASA Lewis Research Center. The Lewis facility provides an accurate simulation of temperatures, high vacuum and solar flux as encountered in low-Earth orbit. The solar dynamic system includes a Brayton power conversion unit integrated with a solar receiver which is designed to store energy for continuous power operation during the eclipse phase of the orbit. This paper reviews the goals and status of the Solar Dynamic Ground Test Demonstration project and describes the initial testing, including both operational and performance data. System testing to date has accumulated over 365 hours of power operation (ranging from 400 watts to 2.0-W(sub e)), including 187 simulated orbits, 16 ambient starts and 2 hot restarts. Data are shown for an orbital startup, transient and steady-state orbital operation and shutdown. System testing with varying insolation levels and operating speeds is discussed. The solar dynamic ground test demonstration is providing the experience and confidence toward a successful flight demonstration of the solar dynamic technologies on the Space Station Mir in 1997.

THYME: Toolkit for Hybrid Modeling of Electric Power Systems

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

Nutaro Kalyan Perumalla, James Joseph

2011-01-01

THYME is an object oriented library for building models of wide area control and communications in electric power systems. This software is designed as a module to be used with existing open source simulators for discrete event systems in general and communication systems in particular. THYME consists of a typical model for simulating electro-mechanical transients (e.g., as are used in dynamic stability studies), data handling objects to work with CDF and PTI formatted power flow data, and sample models of discrete sensors and controllers.

Degradation modeling of high temperature proton exchange membrane fuel cells using dual time scale simulation

NASA Astrophysics Data System (ADS)

Pohl, E.; Maximini, M.; Bauschulte, A.; vom Schloß, J.; Hermanns, R. T. E.

2015-02-01

HT-PEM fuel cells suffer from performance losses due to degradation effects. Therefore, the durability of HT-PEM is currently an important factor of research and development. In this paper a novel approach is presented for an integrated short term and long term simulation of HT-PEM accelerated lifetime testing. The physical phenomena of short term and long term effects are commonly modeled separately due to the different time scales. However, in accelerated lifetime testing, long term degradation effects have a crucial impact on the short term dynamics. Our approach addresses this problem by applying a novel method for dual time scale simulation. A transient system simulation is performed for an open voltage cycle test on a HT-PEM fuel cell for a physical time of 35 days. The analysis describes the system dynamics by numerical electrochemical impedance spectroscopy. Furthermore, a performance assessment is performed in order to demonstrate the efficiency of the approach. The presented approach reduces the simulation time by approximately 73% compared to conventional simulation approach without losing too much accuracy. The approach promises a comprehensive perspective considering short term dynamic behavior and long term degradation effects.

Cold start dynamics and temperature sliding observer design of an automotive SOFC APU

NASA Astrophysics Data System (ADS)

Lin, Po-Hsu; Hong, Che-Wun

This paper presents a dynamic model for studying the cold start dynamics and observer design of an auxiliary power unit (APU) for automotive applications. The APU is embedded with a solid oxide fuel cell (SOFC) stack which is a quiet and pollutant-free electric generator; however, it suffers from slow start problem from ambient conditions. The SOFC APU system equips with an after-burner to accelerate the start-up transient in this research. The combustion chamber burns the residual fuel (and air) left from the SOFC to raise the exhaust temperature to preheat the SOFC stack through an energy recovery unit. Since thermal effect is the dominant factor that influences the SOFC transient and steady performance, a nonlinear real-time sliding observer for stack temperature was implemented into the system dynamics to monitor the temperature variation for future controller design. The simulation results show that a 100 W APU system in this research takes about 2 min (in theory) for start-up without considering the thermal limitation of the cell fracture.

PICsar: Particle in cell pulsar magnetosphere simulator

NASA Astrophysics Data System (ADS)

Belyaev, Mikhail A.

2016-07-01

PICsar simulates the magnetosphere of an aligned axisymmetric pulsar and can be used to simulate other arbitrary electromagnetics problems in axisymmetry. Written in Fortran, this special relativistic, electromagnetic, charge conservative particle in cell code features stretchable body-fitted coordinates that follow the surface of a sphere, simplifying the application of boundary conditions in the case of the aligned pulsar; a radiation absorbing outer boundary, which allows a steady state to be set up dynamically and maintained indefinitely from transient initial conditions; and algorithms for injection of charged particles into the simulation domain. PICsar is parallelized using MPI and has been used on research problems with 1000 CPUs.

Mass ejections. [during solar flares

NASA Technical Reports Server (NTRS)

Rust, D. M.; Hildner, E.; Hansen, R. T.; Dryer, M.; Mcclymont, A. N.; Mckenna-Lawlor, S. M. P.; Mclean, D. J.; Schmahl, E. J.; Steinolfson, R. S.; Tandberg-Hanssen, E.

1980-01-01

Observations and model simulations of solar mass ejection phenomena are examined in an investigation of flare processes. Consideration is given to Skylab and other observations of flare-associated sprays, eruptive prominences, surges and coronal transients, and to MHD, gas dynamic and magnetic loop models developed to account for them. Magnetic forces are found to confine spray material, which originates in preexisting active-region filaments, within steadily expanding loops, while surges follow unmoving, preexisting magnetic field lines. Simulations of effects of a sudden pressure pulse at the bottom of the corona are found to exhibit many characteristics of coronal transients associated with flares, and impulsive heating low in the chromosphere is found to be able to account for surges. The importance of the magnetic field as the ultimate source of energy which drives eruptive phenomena as well as flares is pointed out.

Predictor-Based Model Reference Adaptive Control

NASA Technical Reports Server (NTRS)

Lavretsky, Eugene; Gadient, Ross; Gregory, Irene M.

2009-01-01

This paper is devoted to robust, Predictor-based Model Reference Adaptive Control (PMRAC) design. The proposed adaptive system is compared with the now-classical Model Reference Adaptive Control (MRAC) architecture. Simulation examples are presented. Numerical evidence indicates that the proposed PMRAC tracking architecture has better than MRAC transient characteristics. In this paper, we presented a state-predictor based direct adaptive tracking design methodology for multi-input dynamical systems, with partially known dynamics. Efficiency of the design was demonstrated using short period dynamics of an aircraft. Formal proof of the reported PMRAC benefits constitute future research and will be reported elsewhere.

Inclusion of glacier processes for distributed hydrological modeling at basin scale with application to a watershed in Tianshan Mountains, northwest China

USDA-ARS?s Scientific Manuscript database

In this paper we proposed: (1) an algorithm of glacier melt, sublimation/evaporation, accumulation, mass balance and retreat; (2) a dynamic Hydrological Response Unit approach for incorporating the algorithm into the Soil and Water Assessment Tool (SWAT) model; and (3) simulated the transient glacie...

Nonlinear neural control with power systems applications

NASA Astrophysics Data System (ADS)

Chen, Dingguo

1998-12-01

Extensive studies have been undertaken on the transient stability of large interconnected power systems with flexible ac transmission systems (FACTS) devices installed. Varieties of control methodologies have been proposed to stabilize the postfault system which would otherwise eventually lose stability without a proper control. Generally speaking, regular transient stability is well understood, but the mechanism of load-driven voltage instability or voltage collapse has not been well understood. The interaction of generator dynamics and load dynamics makes synthesis of stabilizing controllers even more challenging. There is currently increasing interest in the research of neural networks as identifiers and controllers for dealing with dynamic time-varying nonlinear systems. This study focuses on the development of novel artificial neural network architectures for identification and control with application to dynamic electric power systems so that the stability of the interconnected power systems, following large disturbances, and/or with the inclusion of uncertain loads, can be largely enhanced, and stable operations are guaranteed. The latitudinal neural network architecture is proposed for the purpose of system identification. It may be used for identification of nonlinear static/dynamic loads, which can be further used for static/dynamic voltage stability analysis. The properties associated with this architecture are investigated. A neural network methodology is proposed for dealing with load modeling and voltage stability analysis. Based on the neural network models of loads, voltage stability analysis evolves, and modal analysis is performed. Simulation results are also provided. The transient stability problem is studied with consideration of load effects. The hierarchical neural control scheme is developed. Trajectory-following policy is used so that the hierarchical neural controller performs as almost well for non-nominal cases as they do for the nominal cases. The adaptive hierarchical neural control scheme is also proposed to deal with the time-varying nature of loads. Further, adaptive neural control, which is based on the on-line updating of the weights and biases of the neural networks, is studied. Simulations provided on the faulted power systems with unknown loads suggest that the proposed adaptive hierarchical neural control schemes should be useful for practical power applications.

Time-dependent quantum transport: An efficient method based on Liouville-von-Neumann equation for single-electron density matrix

NASA Astrophysics Data System (ADS)

Xie, Hang; Jiang, Feng; Tian, Heng; Zheng, Xiao; Kwok, Yanho; Chen, Shuguang; Yam, ChiYung; Yan, YiJing; Chen, Guanhua

2012-07-01

Basing on our hierarchical equations of motion for time-dependent quantum transport [X. Zheng, G. H. Chen, Y. Mo, S. K. Koo, H. Tian, C. Y. Yam, and Y. J. Yan, J. Chem. Phys. 133, 114101 (2010), 10.1063/1.3475566], we develop an efficient and accurate numerical algorithm to solve the Liouville-von-Neumann equation. We solve the real-time evolution of the reduced single-electron density matrix at the tight-binding level. Calculations are carried out to simulate the transient current through a linear chain of atoms, with each represented by a single orbital. The self-energy matrix is expanded in terms of multiple Lorentzian functions, and the Fermi distribution function is evaluated via the Padè spectrum decomposition. This Lorentzian-Padè decomposition scheme is employed to simulate the transient current. With sufficient Lorentzian functions used to fit the self-energy matrices, we show that the lead spectral function and the dynamics response can be treated accurately. Compared to the conventional master equation approaches, our method is much more efficient as the computational time scales cubically with the system size and linearly with the simulation time. As a result, the simulations of the transient currents through systems containing up to one hundred of atoms have been carried out. As density functional theory is also an effective one-particle theory, the Lorentzian-Padè decomposition scheme developed here can be generalized for first-principles simulation of realistic systems.

RF transient analysis and stabilization of the phase and energy of the proposed PIP-II LINAC

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

Edelen, J. P.; Chase, B. E.

This paper describes a recent effort to develop and benchmark a simulation tool for the analysis of RF transients and their compensation in an H- linear accelerator. Existing tools in this area either focus on electron LINACs or lack fundamental details about the LLRF system that are necessary to provide realistic performance estimates. In our paper we begin with a discussion of our computational models followed by benchmarking with existing beam-dynamics codes and measured data. We then analyze the effect of RF transients and their compensation in the PIP-II LINAC, followed by an analysis of calibration errors and how amore » Newton’s Method based feedback scheme can be used to regulate the beam energy to within the specified limits.« less

Dynamic remedial action scheme using online transient stability analysis

NASA Astrophysics Data System (ADS)

Shrestha, Arun

Economic pressure and environmental factors have forced the modern power systems to operate closer to their stability limits. However, maintaining transient stability is a fundamental requirement for the operation of interconnected power systems. In North America, power systems are planned and operated to withstand the loss of any single or multiple elements without violating North American Electric Reliability Corporation (NERC) system performance criteria. For a contingency resulting in the loss of multiple elements (Category C), emergency transient stability controls may be necessary to stabilize the power system. Emergency control is designed to sense abnormal conditions and subsequently take pre-determined remedial actions to prevent instability. Commonly known as either Remedial Action Schemes (RAS) or as Special/System Protection Schemes (SPS), these emergency control approaches have been extensively adopted by utilities. RAS are designed to address specific problems, e.g. to increase power transfer, to provide reactive support, to address generator instability, to limit thermal overloads, etc. Possible remedial actions include generator tripping, load shedding, capacitor and reactor switching, static VAR control, etc. Among various RAS types, generation shedding is the most effective and widely used emergency control means for maintaining system stability. In this dissertation, an optimal power flow (OPF)-based generation-shedding RAS is proposed. This scheme uses online transient stability calculation and generator cost function to determine appropriate remedial actions. For transient stability calculation, SIngle Machine Equivalent (SIME) technique is used, which reduces the multimachine power system model to a One-Machine Infinite Bus (OMIB) equivalent and identifies critical machines. Unlike conventional RAS, which are designed using offline simulations, online stability calculations make the proposed RAS dynamic and adapting to any power system configuration and operating state. The generation-shedding cost is calculated using pre-RAS and post-RAS OPF costs. The criteria for selecting generators to trip is based on the minimum cost rather than minimum amount of generation to shed. For an unstable Category C contingency, the RAS control action that results in stable system with minimum generation shedding cost is selected among possible candidate solutions. The RAS control actions update whenever there is a change in operating condition, system configuration, or cost functions. The effectiveness of the proposed technique is demonstrated by simulations on the IEEE 9-bus system, the IEEE 39-bus system, and IEEE 145-bus system. This dissertation also proposes an improved, yet relatively simple, technique for solving Transient Stability-Constrained Optimal Power Flow (TSC-OPF) problem. Using the SIME method, the sets of dynamic and transient stability constraints are reduced to a single stability constraint, decreasing the overall size of the optimization problem. The transient stability constraint is formulated using the critical machines' power at the initial time step, rather than using the machine rotor angles. This avoids the addition of machine steady state stator algebraic equations in the conventional OPF algorithm. A systematic approach to reach an optimal solution is developed by exploring the quasi-linear behavior of critical machine power and stability margin. The proposed method shifts critical machines active power based on generator costs using an OPF algorithm. Moreover, the transient stability limit is based on stability margin, and not on a heuristically set limit on OMIB rotor angle. As a result, the proposed TSC-OPF solution is more economical and transparent. The proposed technique enables the use of fast and robust commercial OPF tool and time-domain simulation software for solving large scale TSC-OPF problem, which makes the proposed method also suitable for real-time application.

Design of an ammonia closed-loop storage system in a CSP power plant with a power tower cavity receiver

NASA Astrophysics Data System (ADS)

Abdiwe, Ramadan; Haider, Markus

2017-06-01

In this study the thermochemical system using ammonia as energy storage carrier is investigated and a transient mathematical model using MATLAB software was developed to predict the behavior of the ammonia closed-loop storage system including but not limited to the ammonia solar reactor and the ammonia synthesis reactor. The MATLAB model contains transient mass and energy balances as well as chemical equilibrium model for each relevant system component. For the importance of the dissociation and formation processes in the system, a Computational Fluid Dynamics (CFD) simulation on the ammonia solar and synthesis reactors has been performed. The CFD commercial package FLUENT is used for the simulation study and all the important mechanisms for packed bed reactors are taken into account, such as momentum, heat and mass transfer, and chemical reactions. The FLUENT simulation reveals the profiles inside both reactors and compared them with the profiles from the MATLAB code.

CFD transient simulation of an isolator shock train in a scramjet engine

NASA Astrophysics Data System (ADS)

Hoeger, Troy Christopher

For hypersonic flight, the scramjet engine uses an isolator to contain the pre-combustion shock train formed by the pressure difference between the inlet and the combustion chamber. If this shock train were to reach the inlet, it would cause an engine unstart, disrupting the flow through the engine and leading to a loss of thrust and potential loss of the vehicle. Prior to this work, a Computational Fluid Dynamics (CFD) simulation of the isolator was needed for simulating and characterizing the isolator flow and for finding the relationship between back pressure and changes in the location of the leading edge of the shock train. In this work, the VULCAN code was employed with back pressure as an input to obtain the time history of the shock train leading location. Results were obtained for both transient and steady-state conditions. The simulation showed a relationship between back-to-inlet pressure ratios and final locations of the shock train. For the 2-D runs, locations were within one isolator duct height of experimental results while for 3-D runs, the results were within two isolator duct heights.

Acoustically induced slip in sheared granular layers: Application to dynamic earthquake triggering: TRIGGERED SLIP IN SHEARED GRANULAR GOUGE

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

Ferdowsi, Behrooz; Griffa, Michele; Guyer, Robert A.

A fundamental mystery in earthquake physics is “how can an earthquake be triggered by distant seismic sources?” We use discrete element method simulations of a granular layer, during stick slip, that is subject to transient vibrational excitation to gain further insight into the physics of dynamic earthquake triggering. We also observe delayed triggering of slip in the granular gouge, using Coulomb friction law for grains interaction. We find that at a critical vibrational amplitude (strain) there is an abrupt transition from negligible time-advanced slip (clock advance) to full clock advance; i.e., transient vibration and triggered slip are simultaneous. Moreover, themore » critical strain is of order 10 -6, similar to observations in the laboratory and in Earth. The transition is related to frictional weakening of the granular layer due to a dramatic decrease in coordination number and the weakening of the contact force network. Associated with this frictional weakening is a pronounced decrease in the elastic modulus of the layer. The study has important implications for mechanisms of triggered earthquakes and induced seismic events and points out the underlying processes in response of the fault gouge to dynamic transient stresses.« less

Acoustically induced slip in sheared granular layers: Application to dynamic earthquake triggering: TRIGGERED SLIP IN SHEARED GRANULAR GOUGE

DOE PAGES

Ferdowsi, Behrooz; Griffa, Michele; Guyer, Robert A.; ...

2015-11-19

A fundamental mystery in earthquake physics is “how can an earthquake be triggered by distant seismic sources?” We use discrete element method simulations of a granular layer, during stick slip, that is subject to transient vibrational excitation to gain further insight into the physics of dynamic earthquake triggering. We also observe delayed triggering of slip in the granular gouge, using Coulomb friction law for grains interaction. We find that at a critical vibrational amplitude (strain) there is an abrupt transition from negligible time-advanced slip (clock advance) to full clock advance; i.e., transient vibration and triggered slip are simultaneous. Moreover, themore » critical strain is of order 10 -6, similar to observations in the laboratory and in Earth. The transition is related to frictional weakening of the granular layer due to a dramatic decrease in coordination number and the weakening of the contact force network. Associated with this frictional weakening is a pronounced decrease in the elastic modulus of the layer. The study has important implications for mechanisms of triggered earthquakes and induced seismic events and points out the underlying processes in response of the fault gouge to dynamic transient stresses.« less

Dynamic structural disorder in supported nanoscale catalysts

NASA Astrophysics Data System (ADS)

Rehr, J. J.; Vila, F. D.

2014-04-01

We investigate the origin and physical effects of "dynamic structural disorder" (DSD) in supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structure of such nano-scale systems. In contrast to bulk materials, nano-scale systems exhibit substantial fluctuations in structure, charge, temperature, and other quantities, as well as large surface effects. The DSD is driven largely by the stochastic librational motion of the center of mass and fluxional bonding at the nanoparticle surface due to thermal coupling with the substrate. Our approach for calculating and understanding DSD is based on a combination of real-time density functional theory/molecular dynamics simulations, transient coupled-oscillator models, and statistical mechanics. This approach treats thermal and dynamic effects over multiple time-scales, and includes bond-stretching and -bending vibrations, and transient tethering to the substrate at longer ps time-scales. Potential effects on the catalytic properties of these clusters are briefly explored. Model calculations of molecule-cluster interactions and molecular dissociation reaction paths are presented in which the reactant molecules are adsorbed on the surface of dynamically sampled clusters. This model suggests that DSD can affect both the prefactors and distribution of energy barriers in reaction rates, and thus can significantly affect catalytic activity at the nano-scale.

Swimming motility plays a key role in the stochastic dynamics of cell clumping

NASA Astrophysics Data System (ADS)

Qi, Xianghong; Nellas, Ricky B.; Byrn, Matthew W.; Russell, Matthew H.; Bible, Amber N.; Alexandre, Gladys; Shen, Tongye

2013-04-01

Dynamic cell-to-cell interactions are a prerequisite to many biological processes, including development and biofilm formation. Flagellum induced motility has been shown to modulate the initial cell-cell or cell-surface interaction and to contribute to the emergence of macroscopic patterns. While the role of swimming motility in surface colonization has been analyzed in some detail, a quantitative physical analysis of transient interactions between motile cells is lacking. We examined the Brownian dynamics of swimming cells in a crowded environment using a model of motorized adhesive tandem particles. Focusing on the motility and geometry of an exemplary motile bacterium Azospirillum brasilense, which is capable of transient cell-cell association (clumping), we constructed a physical model with proper parameters for the computer simulation of the clumping dynamics. By modulating mechanical interaction (‘stickiness’) between cells and swimming speed, we investigated how equilibrium and active features affect the clumping dynamics. We found that the modulation of active motion is required for the initial aggregation of cells to occur at a realistic time scale. Slowing down the rotation of flagellar motors (and thus swimming speeds) is correlated to the degree of clumping, which is consistent with the experimental results obtained for A. brasilense.

A New Real - Time Fault Detection Methodology for Systems Under Test. Phase 1

NASA Technical Reports Server (NTRS)

Johnson, Roger W.; Jayaram, Sanjay; Hull, Richard A.

1998-01-01

The purpose of this research is focussed on the identification/demonstration of critical technology innovations that will be applied to various applications viz. Detection of automated machine Health Monitoring (BM, real-time data analysis and control of Systems Under Test (SUT). This new innovation using a High Fidelity Dynamic Model-based Simulation (BFDMS) approach will be used to implement a real-time monitoring, Test and Evaluation (T&E) methodology including the transient behavior of the system under test. The unique element of this process control technique is the use of high fidelity, computer generated dynamic models to replicate the behavior of actual Systems Under Test (SUT). It will provide a dynamic simulation capability that becomes the reference truth model, from which comparisons are made with the actual raw/conditioned data from the test elements.

A generalized computer code for developing dynamic gas turbine engine models (DIGTEM)

NASA Technical Reports Server (NTRS)

Daniele, C. J.

1984-01-01

This paper describes DIGTEM (digital turbofan engine model), a computer program that simulates two spool, two stream (turbofan) engines. DIGTEM was developed to support the development of a real time multiprocessor based engine simulator being designed at the Lewis Research Center. The turbofan engine model in DIGTEM contains steady state performance maps for all the components and has control volumes where continuity and energy balances are maintained. Rotor dynamics and duct momentum dynamics are also included. DIGTEM features an implicit integration scheme for integrating stiff systems and trims the model equations to match a prescribed design point by calculating correction coefficients that balance out the dynamic equations. It uses the same coefficients at off design points and iterates to a balanced engine condition. Transients are generated by defining the engine inputs as functions of time in a user written subroutine (TMRSP). Closed loop controls can also be simulated. DIGTEM is generalized in the aerothermodynamic treatment of components. This feature, along with DIGTEM's trimming at a design point, make it a very useful tool for developing a model of a specific turbofan engine.

A generalized computer code for developing dynamic gas turbine engine models (DIGTEM)

NASA Technical Reports Server (NTRS)

Daniele, C. J.

1983-01-01

This paper describes DIGTEM (digital turbofan engine model), a computer program that simulates two spool, two stream (turbofan) engines. DIGTEM was developed to support the development of a real time multiprocessor based engine simulator being designed at the Lewis Research Center. The turbofan engine model in DIGTEM contains steady state performance maps for all the components and has control volumes where continuity and energy balances are maintained. Rotor dynamics and duct momentum dynamics are also included. DIGTEM features an implicit integration scheme for integrating stiff systems and trims the model equations to match a prescribed design point by calculating correction coefficients that balance out the dynamic equations. It uses the same coefficients at off design points and iterates to a balanced engine condition. Transients are generated by defining the engine inputs as functions of time in a user written subroutine (TMRSP). Closed loop controls can also be simulated. DIGTEM is generalized in the aerothermodynamic treatment of components. This feature, along with DIGTEM's trimming at a design point, make it a very useful tool for developing a model of a specific turbofan engine.

Simulating the Response of a Composite Honeycomb Energy Absorber. Part 1; Dynamic Crushing of Components and Multi-Terrain Impacts

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Polanco, Michael A.

2012-01-01

This paper describes the experimental and analytical evaluation of an externally deployable composite honeycomb structure that is designed to attenuate impact energy during helicopter crashes. The concept, designated the Deployable Energy Absorber (DEA), utilizes an expandable Kevlar (Registered Trademark) honeycomb to dissipate kinetic energy through crushing. The DEA incorporates a unique flexible hinge design that allows the honeycomb to be packaged and stowed until needed for deployment. Experimental evaluation of the DEA included dynamic crush tests of multi-cell components and vertical drop tests of a composite fuselage section, retrofitted with DEA blocks, onto multi-terrain. Finite element models of the test articles were developed and simulations were performed using the transient dynamic code, LSDYNA (Registered Trademark). In each simulation, the DEA was represented using shell elements assigned two different material properties: Mat 24, an isotropic piecewise linear plasticity model, and Mat 58, a continuum damage mechanics model used to represent laminated composite fabrics. DEA model development and test-analysis comparisons are presented.

Atomistic Molecular Dynamics Simulations of Mitochondrial DNA Polymerase γ: Novel Mechanisms of Function and Pathogenesis.

PubMed

Euro, Liliya; Haapanen, Outi; Róg, Tomasz; Vattulainen, Ilpo; Suomalainen, Anu; Sharma, Vivek

2017-03-07

DNA polymerase γ (Pol γ) is a key component of the mitochondrial DNA replisome and an important cause of neurological diseases. Despite the availability of its crystal structures, the molecular mechanism of DNA replication, the switch between polymerase and exonuclease activities, the site of replisomal interactions, and functional effects of patient mutations that do not affect direct catalysis have remained elusive. Here we report the first atomistic classical molecular dynamics simulations of the human Pol γ replicative complex. Our simulation data show that DNA binding triggers remarkable changes in the enzyme structure, including (1) completion of the DNA-binding channel via a dynamic subdomain, which in the apo form blocks the catalytic site, (2) stabilization of the structure through the distal accessory β-subunit, and (3) formation of a putative transient replisome-binding platform in the "intrinsic processivity" subdomain of the enzyme. Our data indicate that noncatalytic mutations may disrupt replisomal interactions, thereby causing Pol γ-associated neurodegenerative disorders.

Interdye Hole Transport Accelerates Recombination in Dye Sensitized Mesoporous Films.

PubMed

Moia, Davide; Szumska, Anna; Vaissier, Valérie; Planells, Miquel; Robertson, Neil; O'Regan, Brian C; Nelson, Jenny; Barnes, Piers R F

2016-10-12

Charge recombination between oxidized dyes attached to mesoporous TiO 2 and electrons in the TiO 2 was studied in inert electrolytes using transient absorption spectroscopy. Simultaneously, hole transport within the dye monolayers was monitored by transient absorption anisotropy. The rate of recombination decreased when hole transport was inhibited selectively, either by decreasing the dye surface coverage or by changing the electrolyte environment. From Monte Carlo simulations of electron and hole diffusion in a particle, modeled as a cubic structure, we identify the conditions under which hole lifetime depends on the hole diffusion coefficient for the case of normal (disorder free) diffusion. From simulations of transient absorption and transient absorption anisotropy, we find that the rate and the dispersive character of hole transport in the dye monolayer observed spectroscopically can be explained by incomplete coverage and disorder in the monolayer. We show that dispersive transport in the dye monolayer combined with inhomogeneity in the TiO 2 surface reactivity can contribute to the observed stretched electron-hole recombination dynamics and electron density dependence of hole lifetimes. Our experimental and computational analysis of lateral processes at interfaces can be applied to investigate and optimize charge transport and recombination in solar energy conversion devices using electrodes functionalized with molecular light absorbers and catalysts.

Hybrid Cascading Outage Analysis of Extreme Events with Optimized Corrective Actions

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

Vallem, Mallikarjuna R.; Vyakaranam, Bharat GNVSR; Holzer, Jesse T.

2017-10-19

Power system are vulnerable to extreme contingencies (like an outage of a major generating substation) that can cause significant generation and load loss and can lead to further cascading outages of other transmission facilities and generators in the system. Some cascading outages are seen within minutes following a major contingency, which may not be captured exclusively using the dynamic simulation of the power system. The utilities plan for contingencies either based on dynamic or steady state analysis separately which may not accurately capture the impact of one process on the other. We address this gap in cascading outage analysis bymore » developing Dynamic Contingency Analysis Tool (DCAT) that can analyze hybrid dynamic and steady state behavior of the power system, including protection system models in dynamic simulations, and simulating corrective actions in post-transient steady state conditions. One of the important implemented steady state processes is to mimic operator corrective actions to mitigate aggravated states caused by dynamic cascading. This paper presents an Optimal Power Flow (OPF) based formulation for selecting corrective actions that utility operators can take during major contingency and thus automate the hybrid dynamic-steady state cascading outage process. The improved DCAT framework with OPF based corrective actions is demonstrated on IEEE 300 bus test system.« less

Modeling and simulation of RF photoinjectors for coherent light sources

NASA Astrophysics Data System (ADS)

Chen, Y.; Krasilnikov, M.; Stephan, F.; Gjonaj, E.; Weiland, T.; Dohlus, M.

2018-05-01

We propose a three-dimensional fully electromagnetic numerical approach for the simulation of RF photoinjectors for coherent light sources. The basic idea consists in incorporating a self-consistent photoemission model within a particle tracking code. The generation of electron beams in the injector is determined by the quantum efficiency (QE) of the cathode, the intensity profile of the driving laser as well as by the accelerating field and magnetic focusing conditions in the gun. The total charge emitted during an emission cycle can be limited by the space charge field at the cathode. Furthermore, the time and space dependent electromagnetic field at the cathode may induce a transient modulation of the QE due to surface barrier reduction of the emitting layer. In our modeling approach, all these effects are taken into account. The beam particles are generated dynamically according to the local QE of the cathode and the time dependent laser intensity profile. For the beam dynamics, a tracking code based on the Lienard-Wiechert retarded field formalism is employed. This code provides the single particle trajectories as well as the transient space charge field distribution at the cathode. As an application, the PITZ injector is considered. Extensive electron bunch emission simulations are carried out for different operation conditions of the injector, in the source limited as well as in the space charge limited emission regime. In both cases, fairly good agreement between measurements and simulations is obtained.

Experimental Validation of a Closed Brayton Cycle System Transient Simulation

NASA Technical Reports Server (NTRS)

Johnson, Paul K.; Hervol, David S.

2006-01-01

The Brayton Power Conversion Unit (BPCU) is a closed cycle system with an inert gas working fluid. It is located in Vacuum Facility 6 at NASA Glenn Research Center. Was used in previous solar dynamic technology efforts (SDGTD). Modified to its present configuration by replacing the solar receiver with an electrical resistance heater. The first closed-Brayton-cycle to be coupled with an ion propulsion system. Used to examine mechanical dynamic characteristics and responses. The focus of this work was the validation of a computer model of the BPCU. Model was built using the Closed Cycle System Simulation (CCSS) design and analysis tool. Test conditions were then duplicated in CCSS. Various steady-state points. Transients involving changes in shaft rotational speed and heat input. Testing to date has shown that the BPCU is able to generate meaningful, repeatable data that can be used for computer model validation. Results generated by CCSS demonstrated that the model sufficiently reproduced the thermal transients exhibited by the BPCU system. CCSS was also used to match BPCU steady-state operating points. Cycle temperatures were within 4.1% of the data (most were within 1%). Cycle pressures were all within 3.2%. Error in alternator power (as much as 13.5%) was attributed to uncertainties in the compressor and turbine maps and alternator and bearing loss models. The acquired understanding of the BPCU behavior gives useful insight for improvements to be made to the CCSS model as well as ideas for future testing and possible system modifications.

The dynamic simulation of the Progetto Energia combined cycle power plants

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

Giglio, R.; Cerabolini, M.; Pisacane, F.

1996-12-31

Over the next four years, the Progetto Energia project is building several cogeneration plants to satisfy the increasing demands of Italy`s industrial complex and the country`s demand for electrical power. Located at six different sites within Italy`s borders these Combined Cycle Cogeneration Plants will supply a total of 500 MW of electricity and 100 tons/hr of process steam to Italian industries and residences. To ensure project success, a dynamic model of the 50 MW base unit was developed. The goal established for the model was to predict the dynamic behavior of the complex thermodynamic system in order to assess equipmentmore » performance and control system effectiveness for normal operation and, more importantly, abrupt load changes. In addition to fulfilling its goals, the dynamic study guided modifications to controller logic that significantly improved steam drum pressure control and bypassed steam de-superheating performance. Simulations of normal and abrupt transient events allowed engineers to define optimum controller gain coefficients. The paper discusses the Combined Cycle plant configuration, its operating modes and control system, the dynamic model representation, the simulation results and project benefits.« less

High accuracy switched-current circuits using an improved dynamic mirror

NASA Technical Reports Server (NTRS)

Zweigle, G.; Fiez, T.

1991-01-01

The switched-current technique, a recently developed circuit approach to analog signal processing, has emerged as an alternative/compliment to the well established switched-capacitor circuit technique. High speed switched-current circuits offer potential cost and power savings over slower switched-capacitor circuits. Accuracy improvements are a primary concern at this stage in the development of the switched-current technique. Use of the dynamic current mirror has produced circuits that are insensitive to transistor matching errors. The dynamic current mirror has been limited by other sources of error including clock-feedthrough and voltage transient errors. In this paper we present an improved switched-current building block using the dynamic current mirror. Utilizing current feedback the errors due to current imbalance in the dynamic current mirror are reduced. Simulations indicate that this feedback can reduce total harmonic distortion by as much as 9 dB. Additionally, we have developed a clock-feedthrough reduction scheme for which simulations reveal a potential 10 dB total harmonic distortion improvement. The clock-feedthrough reduction scheme also significantly reduces offset errors and allows for cancellation with a constant current source. Experimental results confirm the simulated improvements.

The CD4+ T cell regulatory network mediates inflammatory responses during acute hyperinsulinemia: a simulation study.

PubMed

Martinez-Sanchez, Mariana E; Hiriart, Marcia; Alvarez-Buylla, Elena R

2017-06-26

Obesity is frequently linked to insulin resistance, high insulin levels, chronic inflammation, and alterations in the behaviour of CD4+ T cells. Despite the biomedical importance of this condition, the system-level mechanisms that alter CD4+ T cell differentiation and plasticity are not well understood. We model how hyperinsulinemia alters the dynamics of the CD4+ T regulatory network, and this, in turn, modulates cell differentiation and plasticity. Different polarizing microenvironments are simulated under basal and high levels of insulin to assess impacts on cell-fate attainment and robustness in response to transient perturbations. In the presence of high levels of insulin Th1 and Th17 become more stable to transient perturbations, and their basin sizes are augmented, Tr1 cells become less stable or disappear, while TGFβ producing cells remain unaltered. Hence, the model provides a dynamic system-level framework and explanation to further understand the documented and apparently paradoxical role of TGFβ in both inflammation and regulation of immune responses, as well as the emergence of the adipose Treg phenotype. Furthermore, our simulations provide new predictions on the impact of the microenvironment in the coexistence of the different cell types, suggesting that in pro-Th1, pro-Th2 and pro-Th17 environments effector and regulatory cells can coexist, but that high levels of insulin severely diminish regulatory cells, especially in a pro-Th17 environment. This work provides a first step towards a system-level formal and dynamic framework to integrate further experimental data in the study of complex inflammatory diseases.

Influence of model order reduction methods on dynamical-optical simulations

NASA Astrophysics Data System (ADS)

Störkle, Johannes; Eberhard, Peter

2017-04-01

In this work, the influence of model order reduction (MOR) methods on optical aberrations is analyzed within a dynamical-optical simulation of a high precision optomechanical system. Therefore, an integrated modeling process and new methods have to be introduced for the computation and investigation of the overall dynamical-optical behavior. For instance, this optical system can be a telescope optic or a lithographic objective. In order to derive a simplified mechanical model for transient time simulations with low computational cost, the method of elastic multibody systems in combination with MOR methods can be used. For this, software tools and interfaces are defined and created. Furthermore, mechanical and optical simulation models are derived and implemented. With these, on the one hand, the mechanical sensitivity can be investigated for arbitrary external excitations and on the other hand, the related optical behavior can be predicted. In order to clarify these methods, academic examples are chosen and the influences of the MOR methods and simulation strategies are analyzed. Finally, the systems are investigated with respect to the mechanical-optical frequency responses, and in conclusion, some recommendations for the application of reduction methods are given.

Prediction of Thermal Transport Properties of Materials with Microstructural Complexity

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

Chen, Youping

This project aims at overcoming the major obstacle standing in the way of progress in dynamic multiscale simulation, which is the lack of a concurrent atomistic-continuum method that allows phonons, heat and defects to pass through the atomistic-continuum interface. The research has led to the development of a concurrent atomistic-continuum (CAC) methodology for multiscale simulations of materials microstructural, mechanical and thermal transport behavior. Its efficacy has been tested and demonstrated through simulations of dislocation dynamics and phonon transport coupled with microstructural evolution in a variety of materials and through providing visual evidences of the nature of phonon transport, such asmore » showing the propagation of heat pulses in single and polycrystalline solids is partially ballistic and partially diffusive. In addition to providing understanding on phonon scattering with phase interface and with grain boundaries, the research has contributed a multiscale simulation tool for understanding of the behavior of complex materials and has demonstrated the capability of the tool in simulating the dynamic, in situ experimental studies of nonequilibrium transient transport processes in material samples that are at length scales typically inaccessible by atomistically resolved methods.« less

Blade loss transient dynamics analysis, volume 1. Task 1: Survey and perspective. [aircraft gas turbine engines

NASA Technical Reports Server (NTRS)

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

1981-01-01

An analytical technique was developed to predict the behavior of a rotor system subjected to sudden unbalance. The technique is implemented in the Turbine Engine Transient Rotor Analysis (TETRA) computer program using the component element method. The analysis was particularly aimed toward blade-loss phenomena in gas turbine engines. A dual-rotor, casing, and pylon structure can be modeled by the computer program. Blade tip rubs, Coriolis forces, and mechanical clearances are included. The analytical system was verified by modeling and simulating actual test conditions for a rig test as well as a full-engine, blade-release demonstration.

Atmospheric dynamical changes as a contributor to deglacial climate variability: results from an ensemble of transient deglacial simulations

NASA Astrophysics Data System (ADS)

Andres, Heather; Tarasov, Lev

2017-04-01

The atmosphere is often assumed to play a passive role in centennial- to millennial-timescale climate variations of the last deglaciation due to its short response times ( years) and the absence of abrupt changes in external climate forcings. Nevertheless, atmospheric dynamical responses to changes in ice sheet topography and albedo can affect the entire Northern Hemisphere through the altering of Rossby stationary wave patterns and changes to the North Atlantic eddy-driven jet. These responses appear sensitive to the particular configuration of Northern Hemisphere land ice, so small changes have the potential to reorganize atmospheric circulation with impacts on precipitation distributions, ocean surface currents and sea ice extent. Indirect proxy evidence, idealized theoretical studies, and "snapshot" simulations performed at different periods during the last glacial cycle indicate that between the Last Glacial Maximum and the preindustrial period the North Atlantic eddy-driven jet weakened, became less zonally-oriented, and exhibited greater variability. How the transition (or transitions) between the glacial atmospheric state and the interglacial state occurred is less clear. To address this question, we performed an ensemble of transient simulations of the last deglaciation using the Planet Simulator coupled atmosphere-ocean-vegetation-sea ice model (PlaSim, at an atmospheric resolution of T42) forced by variants of the GLAC1-D deglacial ice sheet chronology. We characterize simulated changes in stationary wave patterns over this period as well as changes in the strength and position of the North Atlantic eddy-driven jet. In particular, we document the range of timescales for these changes and compare the simulated climate signatures of these transitions to data archives of precipitation and sea ice extent.

Parameterization of eddy sensible heat transports in a zonally averaged dynamic model of the atmosphere

NASA Technical Reports Server (NTRS)

Genthon, Christophe; Le Treut, Herve; Sadourny, Robert; Jouzel, Jean

1990-01-01

A Charney-Branscome based parameterization has been tested as a way of representing the eddy sensible heat transports missing in a zonally averaged dynamic model (ZADM) of the atmosphere. The ZADM used is a zonally averaged version of a general circulation model (GCM). The parameterized transports in the ZADM are gaged against the corresponding fluxes explicitly simulated in the GCM, using the same zonally averaged boundary conditions in both models. The Charney-Branscome approach neglects stationary eddies and transient barotropic disturbances and relies on a set of simplifying assumptions, including the linear appoximation, to describe growing transient baroclinic eddies. Nevertheless, fairly satisfactory results are obtained when the parameterization is performed interactively with the model. Compared with noninteractive tests, a very efficient restoring feedback effect between the modeled zonal-mean climate and the parameterized meridional eddy transport is identified.

Engineering Inertial and Primary-Frequency Response for Distributed Energy Resources: Preprint

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

Dall-Anese, Emiliano; Zhao, Changhong; Guggilam, Swaroop

We propose a framework to engineer synthetic-inertia and droop-control parameters for distributed energy resources (DERs) so that the system frequency in a network composed of DERs and synchronous generators conforms to prescribed transient and steady-state performance specifications. Our approach is grounded in a second-order lumped-parameter model that captures the dynamics of synchronous generators and frequency-responsive DERs endowed with inertial and droop control. A key feature of this reduced-order model is that its parameters can be related to those of the originating higher-order dynamical model. This allows one to systematically design the DER inertial and droop-control coefficients leveraging classical frequency-domain responsemore » characteristics of second-order systems. Time-domain simulations validate the accuracy of the model-reduction method and demonstrate how DER controllers can be designed to meet steady-state-regulation and transient-performance specifications.« less

Engineering Inertial and Primary-Frequency Response for Distributed Energy Resources

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

Dall-Anese, Emiliano; Zhao, Changhong; Guggilam, Swaroop

We propose a framework to engineer synthetic-inertia and droop-control parameters for distributed energy resources (DERs) so that the system frequency in a network composed of DERs and synchronous generators conforms to prescribed transient and steady-state performance specifications. Our approach is grounded in a second-order lumped-parameter model that captures the dynamics of synchronous generators and frequency-responsive DERs endowed with inertial and droop control. A key feature of this reduced-order model is that its parameters can be related to those of the originating higherorder dynamical model. This allows one to systematically design the DER inertial and droop-control coefficients leveraging classical frequency-domain responsemore » characteristics of second-order systems. Time-domain simulations validate the accuracy of the model-reduction method and demonstrate how DER controllers can be designed to meet steady-state-regulation and transient-performance specifications.« less

Runaway transient simulation of a model Kaplan turbine

NASA Astrophysics Data System (ADS)

Liu, S.; Zhou, D.; Liu, D.; Wu, Y.; Nishi, M.

2010-08-01

The runaway transient is a typical transient process of a hydro power unit, where the rotational speed of a turbine runner rapidly increases up to the runaway speed under a working head as the guide vanes cannot be closed due to some reason at the load rejection. In the present paper, the characteristics of the runaway transient of a model Kaplan turbine having ns = 479(m-kW) is simulated by using a time-dependent CFD technique where equation of rotational motion of runner, continuity equation and unsteady RANS equations with RNG k-epsilon turbulence model are solved iteratively. In the calculation, unstructured mesh is used to the whole flow passage, which consists of several sub-domains: entrance, casing, stay vanes + guide vanes, guide section, runner and draft tube. And variable speed sliding mesh technique is used to exchange interface flow information between moving part and stationary part, and three-dimensional unstructured dynamic mesh technique is also adopted to ensure mesh quality. Two cases were treated in the simulation of runaway transient characteristics after load rejection: one is the rated operating condition as the initial condition, and the other is the condition at the maximum head. Regarding the runaway speed, the experimental speed is 1.45 times the initial speed and the calculation is 1.47 times the initial for the former case. In the latter case, the experiment and the calculation are 1.67 times and 1.69 times respectively. From these results, it is recognized that satisfactorily prediction will be possible by using the present numerical method. Further, numerical results show that the swirl in the draft-tube flow becomes stronger in the latter part of the transient process so that a vortex rope will occur in the draft tube and its precession will cause the pressure fluctuations which sometimes affect the stability of hydro power system considerably.

A 2D Daubechies finite wavelet domain method for transient wave response analysis in shear deformable laminated composite plates

NASA Astrophysics Data System (ADS)

Nastos, C. V.; Theodosiou, T. C.; Rekatsinas, C. S.; Saravanos, D. A.

2018-03-01

An efficient numerical method is developed for the simulation of dynamic response and the prediction of the wave propagation in composite plate structures. The method is termed finite wavelet domain method and takes advantage of the outstanding properties of compactly supported 2D Daubechies wavelet scaling functions for the spatial interpolation of displacements in a finite domain of a plate structure. The development of the 2D wavelet element, based on the first order shear deformation laminated plate theory is described and equivalent stiffness, mass matrices and force vectors are calculated and synthesized in the wavelet domain. The transient response is predicted using the explicit central difference time integration scheme. Numerical results for the simulation of wave propagation in isotropic, quasi-isotropic and cross-ply laminated plates are presented and demonstrate the high spatial convergence and problem size reduction obtained by the present method.

Interaction of Impulsive Pressures of Cavitation Bubbles with Cell Membranes during Sonoporation

NASA Astrophysics Data System (ADS)

Kodama, Tetsuya; Koshiyama, Ken-ichiro; Tomita, Yukio; Suzuki, Maiko; Yano, Takeru; Fujikawa, Shigeo

2006-05-01

Ultrasound contrast agents (UCAs), are capable of enhancing non-invasive cytoplasmic molecular delivery in the presence of ultrasound. Collapse of UCAs may generate nano-scale cavitation bubbles, resulting in the transient permeabilization of the cell membrane. In the present study, we investigated the interaction of a cavitation bubble-induced shock wave with a cell membrane using acoustic theory and molecular dynamics (MD) simulation. From the theory, we obtained the shock wave propagation distance from the center of a cavitation bubble that would induce membrane damage. The MD simulation determined the relationship between the uptake of water molecules into the lipid bilayer and the shock wave. The interaction of the shock wave induced a structural change of the bilayer and subsequently increased the fluidity of each molecule. These changes in the bilayer due to shock waves may be an important factor in the use of UCAs to produce the transient membrane permeability during sonoporation.

Profiling of the injected charge drift current transients by cross-sectional scanning technique

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

Gaubas, E., E-mail: eugenijus.gaubas@ff.vu.lt; Ceponis, T.; Pavlov, J.

2014-02-07

The electric field distribution and charge drift currents in Si particle detectors are analyzed. Profiling of the injected charge drift current transients has been implemented by varying charge injection position within a cross-sectional boundary of the particle detector. The obtained profiles of the induction current density and duration of the injected charge drift pulses fit well the simulated current variations. Induction current transients have been interpreted by different stages of the bipolar and monopolar drift of the injected carriers. Profiles of the injected charge current transients registered in the non-irradiated and neutron irradiated Si diodes are compared. It has beenmore » shown that the mixed regime of the competing processes of drift, recombination, and diffusion appears in the measured current profiles on the irradiated samples. The impact of the avalanche effects can be ignored based on the investigations presented. It has been shown that even a simplified dynamic model enabled us to reproduce the main features of the profiled transients of induced charge drift current.« less

Network Connectivity for Permanent, Transient, Independent, and Correlated Faults

NASA Technical Reports Server (NTRS)

White, Allan L.; Sicher, Courtney; henry, Courtney

2012-01-01

This paper develops a method for the quantitative analysis of network connectivity in the presence of both permanent and transient faults. Even though transient noise is considered a common occurrence in networks, a survey of the literature reveals an emphasis on permanent faults. Transient faults introduce a time element into the analysis of network reliability. With permanent faults it is sufficient to consider the faults that have accumulated by the end of the operating period. With transient faults the arrival and recovery time must be included. The number and location of faults in the system is a dynamic variable. Transient faults also introduce system recovery into the analysis. The goal is the quantitative assessment of network connectivity in the presence of both permanent and transient faults. The approach is to construct a global model that includes all classes of faults: permanent, transient, independent, and correlated. A theorem is derived about this model that give distributions for (1) the number of fault occurrences, (2) the type of fault occurrence, (3) the time of the fault occurrences, and (4) the location of the fault occurrence. These results are applied to compare and contrast the connectivity of different network architectures in the presence of permanent, transient, independent, and correlated faults. The examples below use a Monte Carlo simulation, but the theorem mentioned above could be used to guide fault-injections in a laboratory.

Making molecular balloons in laser-induced explosive boiling of polymer solutions.

PubMed

Leveugle, Elodie; Sellinger, Aaron; Fitz-Gerald, James M; Zhigilei, Leonid V

2007-05-25

The effect of the dynamic molecular rearrangements leading to compositional segregation is revealed in coarse-grained molecular dynamics simulations of short pulse laser interaction with a polymer solution in a volatile matrix. An internal release of matrix vapor at the onset of the explosive boiling of the overheated liquid is capable of pushing polymer molecules to the outskirts of a transient bubble, forming a polymer-rich surface layer enclosing the volatile matrix material. The results explain unexpected "deflated balloon" structures observed in films deposited by the matrix-assisted pulsed laser evaporation technique.

H∞ control of combustion in diesel engines using a discrete dynamics model

NASA Astrophysics Data System (ADS)

Hirata, Mitsuo; Ishizuki, Sota; Suzuki, Masayasu

2016-09-01

This paper proposes a control method for combustion in diesel engines using a discrete dynamics model. The proposed two-degree-of-freedom control scheme achieves not only good feedback properties such as disturbance suppression and robust stability but also a good transient response. The method includes a feedforward controller constructed from the inverse model of the plant, and a feedback controller designed by an Hcontrol method, which reduces the effect of the turbocharger lag. The effectiveness of the proposed method is evaluated via numerical simulations.

Nonlinear analysis of NPP safety against the aircraft attack

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

Králik, Juraj, E-mail: juraj.kralik@stuba.sk; Králik, Juraj, E-mail: kralik@fa.stuba.sk

The paper presents the nonlinear probabilistic analysis of the reinforced concrete buildings of nuclear power plant under the aircraft attack. The dynamic load is defined in time on base of the airplane impact simulations considering the real stiffness, masses, direction and velocity of the flight. The dynamic response is calculated in the system ANSYS using the transient nonlinear analysis solution method. The damage of the concrete wall is evaluated in accordance with the standard NDRC considering the spalling, scabbing and perforation effects. The simple and detailed calculations of the wall damage are compared.

The influence of computational assumptions on analysing abdominal aortic aneurysm haemodynamics.

PubMed

Ene, Florentina; Delassus, Patrick; Morris, Liam

2014-08-01

The variation in computational assumptions for analysing abdominal aortic aneurysm haemodynamics can influence the desired output results and computational cost. Such assumptions for abdominal aortic aneurysm modelling include static/transient pressures, steady/transient flows and rigid/compliant walls. Six computational methods and these various assumptions were simulated and compared within a realistic abdominal aortic aneurysm model with and without intraluminal thrombus. A full transient fluid-structure interaction was required to analyse the flow patterns within the compliant abdominal aortic aneurysms models. Rigid wall computational fluid dynamics overestimates the velocity magnitude by as much as 40%-65% and the wall shear stress by 30%-50%. These differences were attributed to the deforming walls which reduced the outlet volumetric flow rate for the transient fluid-structure interaction during the majority of the systolic phase. Static finite element analysis accurately approximates the deformations and von Mises stresses when compared with transient fluid-structure interaction. Simplifying the modelling complexity reduces the computational cost significantly. In conclusion, the deformation and von Mises stress can be approximately found by static finite element analysis, while for compliant models a full transient fluid-structure interaction analysis is required for acquiring the fluid flow phenomenon. © IMechE 2014.

Changes in Moisture Flux over the Tibetan Plateau during 1979-2011: Insights from a High Resolution Simulation

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

Gao, Yanhong; Leung, Lai-Yung R.; Zhang, Yongxin

2015-05-15

Net precipitation (precipitation minus evapotranspiration, P-E) changes between 1979 and 2011 from a high resolution regional climate simulation and its reanalysis forcing are analyzed over the Tibet Plateau (TP) and compared to the global land data assimilation system (GLDAS) product. The high resolution simulation better resolves precipitation changes than its coarse resolution forcing, which contributes dominantly to the improved P-E change in the regional simulation compared to the global reanalysis. Hence, the former may provide better insights about the drivers of P-E changes. The mechanism behind the P-E changes is explored by decomposing the column integrated moisture flux convergence intomore » thermodynamic, dynamic, and transient eddy components. High-resolution climate simulation improves the spatial pattern of P-E changes over the best available global reanalysis. High-resolution climate simulation also facilitates new and substantial findings regarding the role of thermodynamics and transient eddies in P-E changes reflected in observed changes in major river basins fed by runoff from the TP. The analysis revealed the contrasting convergence/divergence changes between the northwestern and southeastern TP and feedback through latent heat release as an important mechanism leading to the mean P-E changes in the TP.« less

Numerical simulation of flow in a high head Francis turbine with prediction of efficiency, rotor stator interaction and vortex structures in the draft tube

NASA Astrophysics Data System (ADS)

Jošt, D.; Škerlavaj, A.; Morgut, M.; Mežnar, P.; Nobile, E.

2015-01-01

The paper presents numerical simulations of flow in a model of a high head Francis turbine and comparison of results to the measurements. Numerical simulations were done by two CFD (Computational Fluid Dynamics) codes, Ansys CFX and OpenFOAM. Steady-state simulations were performed by k-epsilon and SST model, while for transient simulations the SAS SST ZLES model was used. With proper grid refinement in distributor and runner and with taking into account losses in labyrinth seals very accurate prediction of torque on the shaft, head and efficiency was obtained. Calculated axial and circumferential velocity components on two planes in the draft tube matched well with experimental results.

Transient Three-Dimensional Side Load Analysis of Out-of-Round Film Cooled Nozzles

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Lin, Jeff; Ruf, Joe; Guidos, Mike

2010-01-01

The objective of this study is to investigate the effect of nozzle out-of-roundness on the transient startup side loads. The out-of-roundness could be the result of asymmetric loads induced by hardware attached to the nozzle, asymmetric internal stresses induced by previous tests and/or deformation, such as creep, from previous tests. The rocket engine studied encompasses a regeneratively cooled thrust chamber and a film cooled nozzle extension with film coolant distributed from a turbine exhaust manifold. The computational methodology is based on an unstructured-grid, pressure-based computational fluid dynamics formulation, and a transient inlet history based on an engine system simulation. Transient startup computations were performed with the out-of-roundness achieved by four degrees of ovalization of the nozzle: one perfectly round, one slightly out-of-round, one more out-of-round, and one significantly out-of-round. The computed side load physics caused by the nozzle out-of-roundness and its effect on nozzle side load are reported and discussed.

Detectability of compact binary merger macronovae

NASA Astrophysics Data System (ADS)

Rosswog, S.; Feindt, U.; Korobkin, O.; Wu, M.-R.; Sollerman, J.; Goobar, A.; Martinez-Pinedo, G.

2017-05-01

We study the optical and near-infrared luminosities and detectability of radioactively powered electromagnetic transients (‘macronovae’) occuring in the aftermath of binary neutron star and neutron star black hole mergers. We explore the transients that result from the dynamic ejecta and those from different types of wind outflows. Based on full nuclear network simulations we calculate the resulting light curves in different wavelength bands. We scrutinize the robustness of the results by comparing (a) two different nuclear reaction networks and (b) two macronova models. We explore in particular how sensitive the results are to the production of α-decaying trans-lead nuclei. We compare two frequently used mass models: the finite-range Droplet model (FRDM) and the nuclear mass model of Duflo and Zuker (DZ31). We find that the abundance of α-decaying trans-lead nuclei has a significant impact on the observability of the resulting macronovae. For example, the DZ31 model yields considerably larger abundances resulting in larger heating rates and thermalization efficiencies and therefore predicts substantially brighter macronova transients. We find that the dynamic ejecta from NSNS models can reach peak K-band magnitudes in excess of  -15 while those from NSBH cases can reach beyond  -16. Similar values can be reached by some of our wind models. Several of our models (both wind and dynamic ejecta) yield properties that are similar to the transient that was observed in the aftermath of the short GRB 130603B. We further explore the expected macronova detection frequencies for current and future instruments such as VISTA, ZTF and LSST.

Sequence selection by dynamical symmetry breaking in an autocatalytic binary polymer model

NASA Astrophysics Data System (ADS)

Fellermann, Harold; Tanaka, Shinpei; Rasmussen, Steen

2017-12-01

Template-directed replication of nucleic acids is at the essence of all living beings and a major milestone for any origin of life scenario. We present an idealized model of prebiotic sequence replication, where binary polymers act as templates for their autocatalytic replication, thereby serving as each others reactants and products in an intertwined molecular ecology. Our model demonstrates how autocatalysis alters the qualitative and quantitative system dynamics in counterintuitive ways. Most notably, numerical simulations reveal a very strong intrinsic selection mechanism that favors the appearance of a few population structures with highly ordered and repetitive sequence patterns when starting from a pool of monomers. We demonstrate both analytically and through simulation how this "selection of the dullest" is caused by continued symmetry breaking through random fluctuations in the transient dynamics that are amplified by autocatalysis and eventually propagate to the population level. The impact of these observations on related prebiotic mathematical models is discussed.

Material Model Evaluation of a Composite Honeycomb Energy Absorber

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Annett, Martin S.; Fasanella, Edwin L.; Polanco, Michael A.

2012-01-01

A study was conducted to evaluate four different material models in predicting the dynamic crushing response of solid-element-based models of a composite honeycomb energy absorber, designated the Deployable Energy Absorber (DEA). Dynamic crush tests of three DEA components were simulated using the nonlinear, explicit transient dynamic code, LS-DYNA . In addition, a full-scale crash test of an MD-500 helicopter, retrofitted with DEA blocks, was simulated. The four material models used to represent the DEA included: *MAT_CRUSHABLE_FOAM (Mat 63), *MAT_HONEYCOMB (Mat 26), *MAT_SIMPLIFIED_RUBBER/FOAM (Mat 181), and *MAT_TRANSVERSELY_ANISOTROPIC_CRUSHABLE_FOAM (Mat 142). Test-analysis calibration metrics included simple percentage error comparisons of initial peak acceleration, sustained crush stress, and peak compaction acceleration of the DEA components. In addition, the Roadside Safety Verification and Validation Program (RSVVP) was used to assess similarities and differences between the experimental and analytical curves for the full-scale crash test.

An open-loop ground-water heat pump system: transient numerical modeling and site experimental results

NASA Astrophysics Data System (ADS)

Lo Russo, S.; Taddia, G.; Gnavi, L.

2012-04-01

KEY WORDS: Open-loop ground water heat pump; Feflow; Low-enthalpy; Thermal Affected Zone; Turin; Italy The increasing diffusion of low-enthalpy geothermal open-loop Groundwater Heat Pumps (GWHP) providing buildings air conditioning requires a careful assessment of the overall effects on groundwater system, especially in the urban areas where several plants can be close together and interfere. One of the fundamental aspects in the realization of an open loop low-enthalpy geothermal system is therefore the capacity to forecast the effects of thermal alteration produced in the ground, induced by the geothermal system itself. The impact on the groundwater temperature in the surrounding area of the re-injection well (Thermal Affected Zone - TAZ) is directly linked to the aquifer properties. The transient dynamic of groundwater discharge and temperature variations should be also considered to assess the subsurface environmental effects of the plant. The experimental groundwater heat pump system used in this study is installed at the "Politecnico di Torino" (NW Italy, Piedmont Region). This plant provides summer cooling needs for the university buildings. This system is composed by a pumping well, a downgradient injection well and a control piezometer. The system is constantly monitored by multiparameter probes measuring the dynamic of groundwater temperature. A finite element subsurface flow and transport simulator (FEFLOW) was used to investigate the thermal aquifer alteration. Simulations were continuously performed during May-October 2010 (cooling period). The numerical simulation of the heat transport in the aquifer was solved with transient conditions. The simulation was performed by considering only the heat transfer within the saturated aquifer, without any heat dispersion above or below the saturated zone due to the lack of detailed information regarding the unsaturated zone. Model results were compared with experimental temperature data derived from groundwater monitoring in the surrounding area of the injection well. Such analysis showed that the measured values differ slightly from the simulated values. That small difference is probably due to the simplification assumptions in the modelling. This hypothesis is still under investigation.

Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?

PubMed

Merlet, Céline; Péan, Clarisse; Rotenberg, Benjamin; Madden, Paul A; Simon, Patrice; Salanne, Mathieu

2013-01-17

Supercapacitors based on an ionic liquid electrolyte and graphite or nanoporous carbon electrodes are simulated using molecular dynamics. We compare a simplified electrode model in which a constant, uniform charge is assigned to each carbon atom with a realistic model in which a constant potential is applied between the electrodes (the carbon charges are allowed to fluctuate). We show that the simulations performed with the simplified model do not provide a correct description of the properties of the system. First, the structure of the adsorbed electrolyte is partly modified. Second, dramatic differences are observed for the dynamics of the system during transient regimes. In particular, upon application of a constant applied potential difference, the increase in the temperature, due to the Joule effect, associated with the creation of an electric current across the cell follows Ohm's law, while unphysically high temperatures are rapidly observed when constant charges are assigned to each carbon atom.

Multiscale modelling of precipitation in concentrated alloys: from atomistic Monte Carlo simulations to cluster dynamics I thermodynamics

NASA Astrophysics Data System (ADS)

Lépinoux, J.; Sigli, C.

2018-01-01

In a recent paper, the authors showed how the clusters free energies are constrained by the coagulation probability, and explained various anomalies observed during the precipitation kinetics in concentrated alloys. This coagulation probability appeared to be a too complex function to be accurately predicted knowing only the cluster distribution in Cluster Dynamics (CD). Using atomistic Monte Carlo (MC) simulations, it is shown that during a transformation at constant temperature, after a short transient regime, the transformation occurs at quasi-equilibrium. It is proposed to use MC simulations until the system quasi-equilibrates then to switch to CD which is mean field but not limited by a box size like MC. In this paper, we explain how to take into account the information available before the quasi-equilibrium state to establish guidelines to safely predict the cluster free energies.

Ultrafast semi-metallic layer formation in detonating nitromethane

NASA Astrophysics Data System (ADS)

Reed, Evan; Manaa, M. Riad; Fried, Laurence; Glaesemann, Kurt; Joannopoulos, John

2008-03-01

We present the first quantum molecular dynamics simulations behind a detonation front (up to 0.2 ns) of the explosive nitromethane (CH3NO2) represented by the density-functional-based tight-binding method (DFTB). This simulation is enabled by our recently developed multi-scale shock wave molecular dynamics technique (MSST) that opens the door to longer duration simulations by several orders of magnitude. The electronic density of states around the Fermi energy initially increases as metastable material states are produced but then later decreases, perhaps unexpectedly. These changes indicate that the shock front is characterized by an increase in optical thickness and conductivity followed by a reduction around 100 picoseconds behind the front. We find that a significant population of intermediate metastable molecules are charged and charged species play an important role in the density of states evolution. The transient transformation to a semi-metallic state can be understood within the Anderson picture of metallization.

Unraveling the Geometry Dependence of In-Nozzle Cavitation in High-Pressure Injectors

PubMed Central

Im, Kyoung-Su; Cheong, Seong-Kyun; Powell, Christopher F.; Lai, Ming-chia D.; Wang, Jin

2013-01-01

Cavitation is an intricate multiphase phenomenon that interplays with turbulence in fluid flows. It exhibits clear duality in characteristics, being both destructive and beneficial in our daily lives and industrial processes. Despite the multitude of occurrences of this phenomenon, highly dynamic and multiphase cavitating flows have not been fundamentally well understood in guiding the effort to harness the transient and localized power generated by this process. In a microscale, multiphase flow liquid injection system, we synergistically combined experiments using time-resolved x-radiography and a novel simulation method to reveal the relationship between the injector geometry and the in-nozzle cavitation quantitatively. We demonstrate that a slight alteration of the geometry on the micrometer scale can induce distinct laminar-like or cavitating flows, validating the multiphase computational fluid dynamics simulation. Furthermore, the simulation identifies a critical geometric parameter with which the high-speed flow undergoes an intriguing transition from non-cavitating to cavitating. PMID:23797665

Modeling and simulation performance of photovoltaic system integration battery and supercapacitor paralellization of MPPT prototipe for solar vehicle

NASA Astrophysics Data System (ADS)

Ajiatmo, Dwi; Robandi, Imam

2017-03-01

This paper proposes a control scheme photovoltaic, battery and super capacitor connected in parallel for use in a solar vehicle. Based on the features of battery charging, the control scheme consists of three modes, namely, mode dynamic irradian, constant load mode and constant voltage charging mode. The shift of the three modes can be realized by controlling the duty cycle of the mosffet Boost converter system. Meanwhile, the high voltage which is more suitable for the application can be obtained. Compared with normal charging method with parallel connected current limiting detention and charging method with dynamic irradian mode, constant load mode and constant voltage charging mode, the control scheme is proposed to shorten the charging time and increase the use of power generated from the PV array. From the simulation results and analysis conducted to determine the performance of the system in state transient and steady-state by using simulation software Matlab / Simulink. Response simulation results demonstrate the suitability of the proposed concept.

Development of High Fidelity, Fuel-Like Thermal Simulators for Non-Nuclear Testing

NASA Technical Reports Server (NTRS)

Bragg-Sitton, S. M.; Farmer, J.; Dixon, D.; Kapernick, R.; Dickens, R.; Adams, M.

2007-01-01

Non-nuclear testing can be a valuable tool in development of a space nuclear power or propulsion system. In a non-nuclear test bed, electric heaters are used to simulate the heat from nuclear fuel. Work at the NASA Marshall Space Flight Center seeks to develop high fidelity thermal simulators that not only match the static power profile that would be observed in an operating, fueled nuclear reactor, but to also match the dynamic fuel pin performance during feasible transients. Comparison between the fuel pins and thermal simulators is made at the fuel clad surface, which corresponds to the sheath surface in the thermal simulator. Static and dynamic fuel pin performance was determined using SINDA-FLUINT analysis, and the performance of conceptual thermal simulator designs was compared to the expected nuclear performance. Through a series of iterative analysis, a conceptual high fidelity design will be developed, followed by engineering design, fabrication, and testing to validate the overall design process. Although the resulting thermal simulator will be designed for a specific reactor concept, establishing this rigorous design process will assist in streamlining the thermal simulator development for other reactor concepts.

a Transient Semi-Metallic Layer in Detonating Nitromethane

NASA Astrophysics Data System (ADS)

Reed, Evan J.; Manaa, M. Riad; Fried, Laurence E.; Glaesemann, Kurt; Joannopoulos, John D.

2007-12-01

We present the first ever glimpse behind a detonation shock front in a chemically reactive quantum molecular dynamics simulation of the explosive nitromethane (CH3NO2). We discover that the wide-bandgap insulator nitromethane undergoes chemical decomposition and a transformation into a semi-metallic state for a limited distance behind the detonation front. We find this transformation is associated with the production of charged decomposition species.

Profiling of Current Transients in Capacitor Type Diamond Sensors.

PubMed

Gaubas, Eugenijus; Ceponis, Tomas; Meskauskaite, Dovile; Kazuchits, Nikolai

2015-06-08

The operational characteristics of capacitor-type detectors based on HPHT and CVD diamond have been investigated using perpendicular and parallel injection of carrier domain regimes. Simulations of the drift-diffusion current transients have been implemented by using dynamic models based on Shockley-Ramo's theorem, under injection of localized surface domains and of bulk charge carriers. The bipolar drift-diffusion regimes have been analyzed for the photo-induced bulk domain (packet) of excess carriers. The surface charge formation and polarization effects dependent on detector biasing voltage have been revealed. The screening effects ascribed to surface charge and to dynamics of extraction of the injected bulk excess carrier domain have been separated and explained. The parameters of drift mobility of the electrons μ(e) = 4000 cm2/Vs and holes μ(h) = 3800 cm2/Vs have been evaluated for CVD diamond using the perpendicular profiling of currents. The coefficient of carrier ambipolar diffusion D(a) = 97 cm2/s and the carrier recombination lifetime τ(R,CVD) ≌ 110 ns in CVD diamond were extracted by combining analysis of the transients of the sensor current and the microwave probed photoconductivity. The carrier trapping with inherent lifetime τR,HPHT ≌ 2 ns prevails in HPHT diamond.

PSH Transient Simulation Modeling

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

Muljadi, Eduard

PSH Transient Simulation Modeling presentation from the WPTO FY14 - FY16 Peer Review. Transient effects are an important consideration when designing a PSH system, yet numerical techniques for hydraulic transient analysis still need improvements for adjustable-speed (AS) reversible pump-turbine applications.

Stall/surge dynamics of a multi-stage air compressor in response to a load transient of a hybrid solid oxide fuel cell-gas turbine system

NASA Astrophysics Data System (ADS)

Azizi, Mohammad Ali; Brouwer, Jacob

2017-10-01

A better understanding of turbulent unsteady flows in gas turbine systems is necessary to design and control compressors for hybrid fuel cell-gas turbine systems. Compressor stall/surge analysis for a 4 MW hybrid solid oxide fuel cell-gas turbine system for locomotive applications is performed based upon a 1.7 MW multi-stage air compressor. Control strategies are applied to prevent operation of the hybrid SOFC-GT beyond the stall/surge lines of the compressor. Computational fluid dynamics tools are used to simulate the flow distribution and instabilities near the stall/surge line. The results show that a 1.7 MW system compressor like that of a Kawasaki gas turbine is an appropriate choice among the industrial compressors to be used in a 4 MW locomotive SOFC-GT with topping cycle design. The multi-stage radial design of the compressor enhances the ability of the compressor to maintain air flow rate during transient step-load changes. These transient step-load changes are exhibited in many potential applications for SOFC/GT systems. The compressor provides sustained air flow rate during the mild stall/surge event that occurs due to the transient step-load change that is applied, indicating that this type of compressor is well-suited for this hybrid application.

Analysis of the transient response of nuclear spins in GaAs with/without nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Rasly, Mahmoud; Lin, Zhichao; Yamamoto, Masafumi; Uemura, Tetsuya

2016-05-01

As an alternative to studying the steady-state responses of nuclear spins in solid state systems, working within a transient-state framework can reveal interesting phenomena. The response of nuclear spins in GaAs to a changing magnetic field was analyzed based on the time evolution of nuclear spin temperature. Simulation results well reproduced our experimental results for the transient oblique Hanle signals observed in an all-electrical spin injection device. The analysis showed that the so called dynamic nuclear polarization can be treated as a cooling tool for the nuclear spins: It works as a provider to exchange spin angular momentum between polarized electron spins and nuclear spins through the hyperfine interaction, leading to an increase in the nuclear polarization. In addition, a time-delay of the nuclear spin temperature with a fast sweep of the external magnetic field produces a possible transient state for the nuclear spin polarization. On the other hand, the nuclear magnetic resonance acts as a heating tool for a nuclear spin system. This causes the nuclear spin temperature to jump to infinity: i.e., the average nuclear spins along with the nuclear field vanish at resonant fields of 75As, 69Ga and 71Ga, showing an interesting step-dip structure in the oblique Hanle signals. These analyses provide a quantitative understanding of nuclear spin dynamics in semiconductors for application in future computation processing.

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

Burkholder, Michael B.; Litster, Shawn, E-mail: litster@andrew.cmu.edu

In this study, we analyze the stability of two-phase flow regimes and their transitions using chaotic and fractal statistics, and we report new measurements of dynamic two-phase pressure drop hysteresis that is related to flow regime stability and channel water content. Two-phase flow dynamics are relevant to a variety of real-world systems, and quantifying transient two-phase flow phenomena is important for efficient design. We recorded two-phase (air and water) pressure drops and flow images in a microchannel under both steady and transient conditions. Using Lyapunov exponents and Hurst exponents to characterize the steady-state pressure fluctuations, we develop a new, measurablemore » regime identification criteria based on the dynamic stability of the two-phase pressure signal. We also applied a new experimental technique by continuously cycling the air flow rate to study dynamic hysteresis in two-phase pressure drops, which is separate from steady-state hysteresis and can be used to understand two-phase flow development time scales. Using recorded images of the two-phase flow, we show that the capacitive dynamic hysteresis is related to channel water content and flow regime stability. The mixed-wettability microchannel and in-channel water introduction used in this study simulate a polymer electrolyte fuel cell cathode air flow channel.« less

Highly Dynamic Anion-Quadrupole Networks in Proteins.

PubMed

Kapoor, Karan; Duff, Michael R; Upadhyay, Amit; Bucci, Joel C; Saxton, Arnold M; Hinde, Robert J; Howell, Elizabeth E; Baudry, Jerome

2016-11-01

The dynamics of anion-quadrupole (or anion-π) interactions formed between negatively charged (Asp/Glu) and aromatic (Phe) side chains are for the first time computationally characterized in RmlC (Protein Data Bank entry 1EP0 ), a homodimeric epimerase. Empirical force field-based molecular dynamics simulations predict anion-quadrupole pairs and triplets (anion-anion-π and anion-π-π) are formed by the protein during the simulated trajectory, which suggests that the anion-quadrupole interactions may provide a significant contribution to the overall stability of the protein, with an average of -1.6 kcal/mol per pair. Some anion-π interactions are predicted to form during the trajectory, extending the number of anion-quadrupole interactions beyond those predicted from crystal structure analysis. At the same time, some anion-π pairs observed in the crystal structure exhibit marginal stability. Overall, most anion-π interactions alternate between an "on" state, with significantly stabilizing energies, and an "off" state, with marginal or null stabilizing energies. The way proteins possibly compensate for transient loss of anion-quadrupole interactions is characterized in the RmlC aspartate 84-phenylalanine 112 anion-quadrupole pair observed in the crystal structure. A double-mutant cycle analysis of the thermal stability suggests a possible loss of anion-π interactions compensated by variations of hydration of the residues and formation of compensating electrostatic interactions. These results suggest that near-planar anion-quadrupole pairs can exist, sometimes transiently, which may play a role in maintaining the structural stability and function of the protein, in an otherwise very dynamic interplay of a nonbonded interaction network as well as solvent effects.

Nested large-eddy simulations of nighttime shear-instability waves and transient warming in a steep valley

NASA Astrophysics Data System (ADS)

Zhou, Bowen; Chow, Fotini

2012-11-01

This numerical study investigates the nighttime flow dynamics in a steep valley. The Owens Valley in California is highly complex, and represents a challenging terrain for large-eddy simulations (LES). To ensure a faithful representation of the nighttime atmospheric boundary layer (ABL), realistic external boundary conditions are provided through grid nesting. The model obtains initial and lateral boundary conditions from reanalysis data, and bottom boundary conditions from a land-surface model. We demonstrate the ability to extend a mesoscale model to LES resolutions through a systematic grid-nesting framework, achieving accurate simulations of the stable ABL over complex terrain. Nighttime cold-air flow was channeled through a gap on the valley sidewall. The resulting katabatic current induced a cross-valley flow. Directional shear against the down-valley flow in the lower layers of the valley led to breaking Kelvin-Helmholtz waves at the interface, which is captured only on the LES grid. Later that night, the flow transitioned from down-slope to down-valley near the western sidewall, leading to a transient warming episode. Simulation results are verified against field observations and reveal good spatial and temporal precision. Supported by NSF grant ATM-0645784.

Design and characterization of a cough simulator.

PubMed

Zhang, Bo; Zhu, Chao; Ji, Zhiming; Lin, Chao-Hsin

2017-02-23

Expiratory droplets from human coughing have always been considered as potential carriers of pathogens, responsible for respiratory infectious disease transmission. To study the transmission of disease by human coughing, a transient repeatable cough simulator has been designed and built. Cough droplets are generated by different mechanisms, such as the breaking of mucus, condensation and high-speed atomization from different depths of the respiratory tract. These mechanisms in coughing produce droplets of different sizes, represented by a bimodal distribution of 'fine' and 'coarse' droplets. A cough simulator is hence designed to generate transient sprays with such bimodal characteristics. It consists of a pressurized gas tank, a nebulizer and an ejector, connected in series, which are controlled by computerized solenoid valves. The bimodal droplet size distribution is characterized for the coarse droplets and fine droplets, by fibrous collection and laser diffraction, respectively. The measured size distributions of coarse and fine droplets are reasonably represented by the Rosin-Rammler and log-normal distributions in probability density function, which leads to a bimodal distribution. To assess the hydrodynamic consequences of coughing including droplet vaporization and polydispersion, a Lagrangian model of droplet trajectories is established, with its ambient flow field predetermined from a computational fluid dynamics simulation.

Kinetic Monte Carlo simulations for transient thermal fields: Computational methodology and application to the submicrosecond laser processes in implanted silicon.

PubMed

Fisicaro, G; Pelaz, L; Lopez, P; La Magna, A

2012-09-01

Pulsed laser irradiation of damaged solids promotes ultrafast nonequilibrium kinetics, on the submicrosecond scale, leading to microscopic modifications of the material state. Reliable theoretical predictions of this evolution can be achieved only by simulating particle interactions in the presence of large and transient gradients of the thermal field. We propose a kinetic Monte Carlo (KMC) method for the simulation of damaged systems in the extremely far-from-equilibrium conditions caused by the laser irradiation. The reference systems are nonideal crystals containing point defect excesses, an order of magnitude larger than the equilibrium density, due to a preirradiation ion implantation process. The thermal and, eventual, melting problem is solved within the phase-field methodology, and the numerical solutions for the space- and time-dependent thermal field were then dynamically coupled to the KMC code. The formalism, implementation, and related tests of our computational code are discussed in detail. As an application example we analyze the evolution of the defect system caused by P ion implantation in Si under nanosecond pulsed irradiation. The simulation results suggest a significant annihilation of the implantation damage which can be well controlled by the laser fluence.

Real time implementation and control validation of the wind energy conversion system

NASA Astrophysics Data System (ADS)

Sattar, Adnan

The purpose of the thesis is to analyze dynamic and transient characteristics of wind energy conversion systems including the stability issues in real time environment using the Real Time Digital Simulator (RTDS). There are different power system simulation tools available in the market. Real time digital simulator (RTDS) is one of the powerful tools among those. RTDS simulator has a Graphical User Interface called RSCAD which contains detail component model library for both power system and control relevant analysis. The hardware is based upon the digital signal processors mounted in the racks. RTDS simulator has the advantage of interfacing the real world signals from the external devices, hence used to test the protection and control system equipments. Dynamic and transient characteristics of the fixed and variable speed wind turbine generating systems (WTGSs) are analyzed, in this thesis. Static Synchronous Compensator (STATCOM) as a flexible ac transmission system (FACTS) device is used to enhance the fault ride through (FRT) capability of the fixed speed wind farm. Two level voltage source converter based STATCOM is modeled in both VSC small time-step and VSC large time-step of RTDS. The simulation results of the RTDS model system are compared with the off-line EMTP software i.e. PSCAD/EMTDC. A new operational scheme for a MW class grid-connected variable speed wind turbine driven permanent magnet synchronous generator (VSWT-PMSG) is developed. VSWT-PMSG uses fully controlled frequency converters for the grid interfacing and thus have the ability to control the real and reactive powers simultaneously. Frequency converters are modeled in the VSC small time-step of the RTDS and three phase realistic grid is adopted with RSCAD simulation through the use of optical analogue digital converter (OADC) card of the RTDS. Steady state and LVRT characteristics are carried out to validate the proposed operational scheme. Simulation results show good agreement with real time simulation software and thus can be used to validate the controllers for the real time operation. Integration of the Battery Energy Storage System (BESS) with wind farm can smoothen its intermittent power fluctuations. The work also focuses on the real time implementation of the Sodium Sulfur (NaS) type BESS. BESS is integrated with the STATCOM. The main advantage of this system is that it can also provide the reactive power support to the system along with the real power exchange from BESS unit. BESS integrated with STATCOM is modeled in the VSC small time-step of the RTDS. The cascaded vector control scheme is used for the control of the STATCOM and suitable control is developed to control the charging/discharging of the NaS type BESS. Results are compared with Laboratory standard power system software PSCAD/EMTDC and the advantages of using RTDS in dynamic and transient characteristics analyses of wind farm are also demonstrated clearly.

Active learning of constitutive relation from mesoscopic dynamics for macroscopic modeling of non-Newtonian flows

NASA Astrophysics Data System (ADS)

Zhao, Lifei; Li, Zhen; Caswell, Bruce; Ouyang, Jie; Karniadakis, George Em

2018-06-01

We simulate complex fluids by means of an on-the-fly coupling of the bulk rheology to the underlying microstructure dynamics. In particular, a continuum model of polymeric fluids is constructed without a pre-specified constitutive relation, but instead it is actively learned from mesoscopic simulations where the dynamics of polymer chains is explicitly computed. To couple the bulk rheology of polymeric fluids and the microscale dynamics of polymer chains, the continuum approach (based on the finite volume method) provides the transient flow field as inputs for the (mesoscopic) dissipative particle dynamics (DPD), and in turn DPD returns an effective constitutive relation to close the continuum equations. In this multiscale modeling procedure, we employ an active learning strategy based on Gaussian process regression (GPR) to minimize the number of expensive DPD simulations, where adaptively selected DPD simulations are performed only as necessary. Numerical experiments are carried out for flow past a circular cylinder of a non-Newtonian fluid, modeled at the mesoscopic level by bead-spring chains. The results show that only five DPD simulations are required to achieve an effective closure of the continuum equations at Reynolds number Re = 10. Furthermore, when Re is increased to 100, only one additional DPD simulation is required for constructing an extended GPR-informed model closure. Compared to traditional message-passing multiscale approaches, applying an active learning scheme to multiscale modeling of non-Newtonian fluids can significantly increase the computational efficiency. Although the method demonstrated here obtains only a local viscosity from the polymer dynamics, it can be extended to other multiscale models of complex fluids whose macro-rheology is unknown.

An Extended Trajectory Mechanics Approach for Calculating the Path of a Pressure Transient: Derivation and Illustration

NASA Astrophysics Data System (ADS)

Vasco, D. W.

2018-04-01

Following an approach used in quantum dynamics, an exponential representation of the hydraulic head transforms the diffusion equation governing pressure propagation into an equivalent set of ordinary differential equations. Using a reservoir simulator to determine one set of dependent variables leaves a reduced set of equations for the path of a pressure transient. Unlike the current approach for computing the path of a transient, based on a high-frequency asymptotic solution, the trajectories resulting from this new formulation are valid for arbitrary spatial variations in aquifer properties. For a medium containing interfaces and layers with sharp boundaries, the trajectory mechanics approach produces paths that are compatible with travel time fields produced by a numerical simulator, while the asymptotic solution produces paths that bend too strongly into high permeability regions. The breakdown of the conventional asymptotic solution, due to the presence of sharp boundaries, has implications for model parameter sensitivity calculations and the solution of the inverse problem. For example, near an abrupt boundary, trajectories based on the asymptotic approach deviate significantly from regions of high sensitivity observed in numerical computations. In contrast, paths based on the new trajectory mechanics approach coincide with regions of maximum sensitivity to permeability changes.

Transient Three-Dimensional Side Load Analysis of a Film Cooled Nozzle

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Guidos, Mike

2008-01-01

Transient three-dimensional numerical investigations on the side load physics for an engine encompassing a film cooled nozzle extension and a regeneratively cooled thrust chamber, were performed. The objectives of this study are to identify the three-dimensional side load physics and to compute the associated aerodynamic side load using an anchored computational methodology. The computational methodology is based on an unstructured-grid, pressure-based computational fluid dynamics formulation, and a transient inlet history based on an engine system simulation. Ultimately, the computational results will be provided to the nozzle designers for estimating of effect of the peak side load on the nozzle structure. Computations simulating engine startup at ambient pressures corresponding to sea level and three high altitudes were performed. In addition, computations for both engine startup and shutdown transients were also performed for a stub nozzle, operating at sea level. For engine with the full nozzle extension, computational result shows starting up at sea level, the peak side load occurs when the lambda shock steps into the turbine exhaust flow, while the side load caused by the transition from free-shock separation to restricted-shock separation comes at second; and the side loads decreasing rapidly and progressively as the ambient pressure decreases. For the stub nozzle operating at sea level, the computed side loads during both startup and shutdown becomes very small due to the much reduced flow area.

High Fidelity, “Faster than Real-Time” Simulator for Predicting Power System Dynamic Behavior - Final Technical Report

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

Flueck, Alex

The “High Fidelity, Faster than Real­Time Simulator for Predicting Power System Dynamic Behavior” was designed and developed by Illinois Institute of Technology with critical contributions from Electrocon International, Argonne National Laboratory, Alstom Grid and McCoy Energy. Also essential to the project were our two utility partners: Commonwealth Edison and AltaLink. The project was a success due to several major breakthroughs in the area of large­scale power system dynamics simulation, including (1) a validated faster than real­ time simulation of both stable and unstable transient dynamics in a large­scale positive sequence transmission grid model, (2) a three­phase unbalanced simulation platform formore » modeling new grid devices, such as independently controlled single­phase static var compensators (SVCs), (3) the world’s first high fidelity three­phase unbalanced dynamics and protection simulator based on Electrocon’s CAPE program, and (4) a first­of­its­ kind implementation of a single­phase induction motor model with stall capability. The simulator results will aid power grid operators in their true time of need, when there is a significant risk of cascading outages. The simulator will accelerate performance and enhance accuracy of dynamics simulations, enabling operators to maintain reliability and steer clear of blackouts. In the long­term, the simulator will form the backbone of the newly conceived hybrid real­time protection and control architecture that will coordinate local controls, wide­area measurements, wide­area controls and advanced real­time prediction capabilities. The nation’s citizens will benefit in several ways, including (1) less down time from power outages due to the faster­than­real­time simulator’s predictive capability, (2) higher levels of reliability due to the detailed dynamics plus protection simulation capability, and (3) more resiliency due to the three­ phase unbalanced simulator’s ability to model three­phase and single­ phase networks and devices.« less

The joy of transient chaos.

PubMed

Tél, Tamás

2015-09-01

We intend to show that transient chaos is a very appealing, but still not widely appreciated, subfield of nonlinear dynamics. Besides flashing its basic properties and giving a brief overview of the many applications, a few recent transient-chaos-related subjects are introduced in some detail. These include the dynamics of decision making, dispersion, and sedimentation of volcanic ash, doubly transient chaos of undriven autonomous mechanical systems, and a dynamical systems approach to energy absorption or explosion.

Three-dimensional numerical and experimental studies on transient ignition of hybrid rocket motor

NASA Astrophysics Data System (ADS)

Tian, Hui; Yu, Ruipeng; Zhu, Hao; Wu, Junfeng; Cai, Guobiao

2017-11-01

This paper presents transient simulations and experimental studies of the ignition process of the hybrid rocket motors (HRMs) using 90% hydrogen peroxide (HP) as the oxidizer and polymethyl methacrylate (PMMA) and Polyethylene (PE) as fuels. A fluid-solid coupling numerically method is established based on the conserved form of the three-dimensional unsteady Navier-Stokes (N-S) equations, considering gas fluid with chemical reactions and heat transfer between the fluid and solid region. Experiments are subsequently conducted using high-speed camera to record the ignition process. The flame propagation, chamber pressurizing process and average fuel regression rate of the numerical simulation results show good agreement with the experimental ones, which demonstrates the validity of the simulations in this study. The results also indicate that the flame propagation time is mainly affected by fluid dynamics and it increases with an increasing grain port area. The chamber pressurizing process begins when the flame propagation completes in the grain port. Furthermore, the chamber pressurizing time is about 4 times longer than the time of flame propagation.

3D ion-scale dynamics of BBFs and their associated emissions in Earth's magnetotail using 3D hybrid simulations and MMS multi-spacecraft observations

NASA Astrophysics Data System (ADS)

Breuillard, H.; Aunai, N.; Le Contel, O.; Catapano, F.; Alexandrova, A.; Retino, A.; Cozzani, G.; Gershman, D. J.; Giles, B. L.; Khotyaintsev, Y. V.; Lindqvist, P. A.; Ergun, R.; Strangeway, R. J.; Russell, C. T.; Magnes, W.; Plaschke, F.; Nakamura, R.; Fuselier, S. A.; Turner, D. L.; Schwartz, S. J.; Torbert, R. B.; Burch, J.

2017-12-01

Transient and localized jets of hot plasma, also known as Bursty Bulk Flows (BBFs), play a crucial role in Earth's magnetotail dynamics because the energy input from the solar wind is partly dissipated in their vicinity, notably in their embedded dipolarization front (DF). This dissipation is in the form of strong low-frequency waves that can heat and accelerate energetic particles up to the high-latitude plasma sheet. The ion-scale dynamics of BBFs have been revealed by the Cluster and THEMIS multi-spacecraft missions. However, the dynamics of BBF propagation in the magnetotail are still under debate due to instrumental limitations and spacecraft separation distances, as well as simulation limitations. The NASA/MMS fleet, which features unprecedented high time resolution instruments and four spacecraft separated by kinetic-scale distances, has also shown recently that the DF normal dynamics and its associated emissions are below the ion gyroradius scale in this region. Large variations in the dawn-dusk direction were also observed. However, most of large-scale simulations are using the MHD approach and are assumed 2D in the XZ plane. Thus, in this study we take advantage of both multi-spacecraft observations by MMS and large-scale 3D hybrid simulations to investigate the 3D dynamics of BBFs and their associated emissions at ion-scale in Earth's magnetotail, and their impact on particle heating and acceleration.

Comprehensive Modeling and Analysis of Rotorcraft Variable Speed Propulsion System With Coupled Engine/Transmission/Rotor Dynamics

NASA Technical Reports Server (NTRS)

DeSmidt, Hans A.; Smith, Edward C.; Bill, Robert C.; Wang, Kon-Well

2013-01-01

This project develops comprehensive modeling and simulation tools for analysis of variable rotor speed helicopter propulsion system dynamics. The Comprehensive Variable-Speed Rotorcraft Propulsion Modeling (CVSRPM) tool developed in this research is used to investigate coupled rotor/engine/fuel control/gearbox/shaft/clutch/flight control system dynamic interactions for several variable rotor speed mission scenarios. In this investigation, a prototypical two-speed Dual-Clutch Transmission (DCT) is proposed and designed to achieve 50 percent rotor speed variation. The comprehensive modeling tool developed in this study is utilized to analyze the two-speed shift response of both a conventional single rotor helicopter and a tiltrotor drive system. In the tiltrotor system, both a Parallel Shift Control (PSC) strategy and a Sequential Shift Control (SSC) strategy for constant and variable forward speed mission profiles are analyzed. Under the PSC strategy, selecting clutch shift-rate results in a design tradeoff between transient engine surge margins and clutch frictional power dissipation. In the case of SSC, clutch power dissipation is drastically reduced in exchange for the necessity to disengage one engine at a time which requires a multi-DCT drive system topology. In addition to comprehensive simulations, several sections are dedicated to detailed analysis of driveline subsystem components under variable speed operation. In particular an aeroelastic simulation of a stiff in-plane rotor using nonlinear quasi-steady blade element theory was conducted to investigate variable speed rotor dynamics. It was found that 2/rev and 4/rev flap and lag vibrations were significant during resonance crossings with 4/rev lagwise loads being directly transferred into drive-system torque disturbances. To capture the clutch engagement dynamics, a nonlinear stick-slip clutch torque model is developed. Also, a transient gas-turbine engine model based on first principles mean-line compressor and turbine approximations is developed. Finally an analysis of high frequency gear dynamics including the effect of tooth mesh stiffness variation under variable speed operation is conducted including experimental validation. Through exploring the interactions between the various subsystems, this investigation provides important insights into the continuing development of variable-speed rotorcraft propulsion systems.

Computation of magnetic suspension of maglev systems using dynamic circuit theory

NASA Technical Reports Server (NTRS)

He, J. L.; Rote, D. M.; Coffey, H. T.

1992-01-01

Dynamic circuit theory is applied to several magnetic suspensions associated with maglev systems. These suspension systems are the loop-shaped coil guideway, the figure-eight-shaped null-flux coil guideway, and the continuous sheet guideway. Mathematical models, which can be used for the development of computer codes, are provided for each of these suspension systems. The differences and similarities of the models in using dynamic circuit theory are discussed in the paper. The paper emphasizes the transient and dynamic analysis and computer simulation of maglev systems. In general, the method discussed here can be applied to many electrodynamic suspension system design concepts. It is also suited for the computation of the performance of maglev propulsion systems. Numerical examples are presented in the paper.

An Analysis on a Dynamic Amplifier and Calibration Methods for a Pseudo-Differential Dynamic Comparator

NASA Astrophysics Data System (ADS)

Paik, Daehwa; Miyahara, Masaya; Matsuzawa, Akira

This paper analyzes a pseudo-differential dynamic comparator with a dynamic pre-amplifier. The transient gain of a dynamic pre-amplifier is derived and applied to equations of the thermal noise and the regeneration time of a comparator. This analysis enhances understanding of the roles of transistor's parameters in pre-amplifier's gain. Based on the calculated gain, two calibration methods are also analyzed. One is calibration of a load capacitance and the other is calibration of a bypass current. The analysis helps designers' estimation for the accuracy of calibration, dead-zone of a comparator with a calibration circuit, and the influence of PVT variation. The analyzed comparator uses 90-nm CMOS technology as an example and each estimation is compared with simulation results.

Astronaut Risk Levels During Crew Module (CM) Land Landing

NASA Technical Reports Server (NTRS)

Lawrence, Charles; Carney, Kelly S.; Littell, Justin

2007-01-01

The NASA Engineering Safety Center (NESC) is investigating the merits of water and land landings for the crew exploration vehicle (CEV). The merits of these two options are being studied in terms of cost and risk to the astronauts, vehicle, support personnel, and general public. The objective of the present work is to determine the astronaut dynamic response index (DRI), which measures injury risks. Risks are determined for a range of vertical and horizontal landing velocities. A structural model of the crew module (CM) is developed and computational simulations are performed using a transient dynamic simulation analysis code (LS-DYNA) to determine acceleration profiles. Landing acceleration profiles are input in a human factors model that determines astronaut risk levels. Details of the modeling approach, the resulting accelerations, and astronaut risk levels are provided.

Simulation of Combustion Systems with Realistic g-jitter

NASA Technical Reports Server (NTRS)

Mell, William E.; McGrattan, Kevin B.; Baum, Howard R.

2003-01-01

In this project a transient, fully three-dimensional computer simulation code was developed to simulate the effects of realistic g-jitter on a number of combustion systems. The simulation code is capable of simulating flame spread on a solid and nonpremixed or premixed gaseous combustion in nonturbulent flow with simple combustion models. Simple combustion models were used to preserve computational efficiency since this is meant to be an engineering code. Also, the use of sophisticated turbulence models was not pursued (a simple Smagorinsky type model can be implemented if deemed appropriate) because if flow velocities are large enough for turbulence to develop in a reduced gravity combustion scenario it is unlikely that g-jitter disturbances (in NASA's reduced gravity facilities) will play an important role in the flame dynamics. Acceleration disturbances of realistic orientation, magnitude, and time dependence can be easily included in the simulation. The simulation algorithm was based on techniques used in an existing large eddy simulation code which has successfully simulated fire dynamics in complex domains. A series of simulations with measured and predicted acceleration disturbances on the International Space Station (ISS) are presented. The results of this series of simulations suggested a passive isolation system and appropriate scheduling of crew activity would provide a sufficiently "quiet" acceleration environment for spherical diffusion flames.

Mechanism of potassium ion uptake by the Na+/K+-ATPase

PubMed Central

Castillo, Juan P.; Rui, Huan; Basilio, Daniel; Das, Avisek; Roux, Benoît; Latorre, Ramon; Bezanilla, Francisco; Holmgren, Miguel

2015-01-01

The Na+/K+-ATPase restores sodium (Na+) and potassium (K+) electrochemical gradients dissipated by action potentials and ion-coupled transport processes. As ions are transported, they become transiently trapped between intracellular and extracellular gates. Once the external gate opens, three Na+ ions are released, followed by the binding and occlusion of two K+ ions. While the mechanisms of Na+ release have been well characterized by the study of transient Na+ currents, smaller and faster transient currents mediated by external K+ have been more difficult to study. Here we show that external K+ ions travelling to their binding sites sense only a small fraction of the electric field as they rapidly and simultaneously become occluded. Consistent with these results, molecular dynamics simulations of a pump model show a wide water-filled access channel connecting the binding site to the external solution. These results suggest a mechanism of K+ gating different from that of Na+ occlusion. PMID:26205423

A High-Fidelity Simulation of a Generic Commercial Aircraft Engine and Controller

NASA Technical Reports Server (NTRS)

May, Ryan D.; Csank, Jeffrey; Lavelle, Thomas M.; Litt, Jonathan S.; Guo, Ten-Huei

2010-01-01

A new high-fidelity simulation of a generic 40,000 lb thrust class commercial turbofan engine with a representative controller, known as CMAPSS40k, has been developed. Based on dynamic flight test data of a highly instrumented engine and previous engine simulations developed at NASA Glenn Research Center, this non-proprietary simulation was created especially for use in the development of new engine control strategies. C-MAPSS40k is a highly detailed, component-level engine model written in MATLAB/Simulink (The MathWorks, Inc.). Because the model is built in Simulink, users have the ability to use any of the MATLAB tools for analysis and control system design. The engine components are modeled in C-code, which is then compiled to allow faster-than-real-time execution. The engine controller is based on common industry architecture and techniques to produce realistic closed-loop transient responses while ensuring that no safety or operability limits are violated. A significant feature not found in other non-proprietary models is the inclusion of transient stall margin debits. These debits provide an accurate accounting of the compressor surge margin, which is critical in the design of an engine controller. This paper discusses the development, characteristics, and capabilities of the C-MAPSS40k simulation

Dynamic Maternal Gradients Control Timing and Shift-Rates for Drosophila Gap Gene Expression

PubMed Central

Verd, Berta; Crombach, Anton

2017-01-01

Pattern formation during development is a highly dynamic process. In spite of this, few experimental and modelling approaches take into account the explicit time-dependence of the rules governing regulatory systems. We address this problem by studying dynamic morphogen interpretation by the gap gene network in Drosophila melanogaster. Gap genes are involved in segment determination during early embryogenesis. They are activated by maternal morphogen gradients encoded by bicoid (bcd) and caudal (cad). These gradients decay at the same time-scale as the establishment of the antero-posterior gap gene pattern. We use a reverse-engineering approach, based on data-driven regulatory models called gene circuits, to isolate and characterise the explicitly time-dependent effects of changing morphogen concentrations on gap gene regulation. To achieve this, we simulate the system in the presence and absence of dynamic gradient decay. Comparison between these simulations reveals that maternal morphogen decay controls the timing and limits the rate of gap gene expression. In the anterior of the embyro, it affects peak expression and leads to the establishment of smooth spatial boundaries between gap domains. In the posterior of the embryo, it causes a progressive slow-down in the rate of gap domain shifts, which is necessary to correctly position domain boundaries and to stabilise the spatial gap gene expression pattern. We use a newly developed method for the analysis of transient dynamics in non-autonomous (time-variable) systems to understand the regulatory causes of these effects. By providing a rigorous mechanistic explanation for the role of maternal gradient decay in gap gene regulation, our study demonstrates that such analyses are feasible and reveal important aspects of dynamic gene regulation which would have been missed by a traditional steady-state approach. More generally, it highlights the importance of transient dynamics for understanding complex regulatory processes in development. PMID:28158178

Dynamic Maternal Gradients Control Timing and Shift-Rates for Drosophila Gap Gene Expression.

PubMed

Verd, Berta; Crombach, Anton; Jaeger, Johannes

2017-02-01

Pattern formation during development is a highly dynamic process. In spite of this, few experimental and modelling approaches take into account the explicit time-dependence of the rules governing regulatory systems. We address this problem by studying dynamic morphogen interpretation by the gap gene network in Drosophila melanogaster. Gap genes are involved in segment determination during early embryogenesis. They are activated by maternal morphogen gradients encoded by bicoid (bcd) and caudal (cad). These gradients decay at the same time-scale as the establishment of the antero-posterior gap gene pattern. We use a reverse-engineering approach, based on data-driven regulatory models called gene circuits, to isolate and characterise the explicitly time-dependent effects of changing morphogen concentrations on gap gene regulation. To achieve this, we simulate the system in the presence and absence of dynamic gradient decay. Comparison between these simulations reveals that maternal morphogen decay controls the timing and limits the rate of gap gene expression. In the anterior of the embyro, it affects peak expression and leads to the establishment of smooth spatial boundaries between gap domains. In the posterior of the embryo, it causes a progressive slow-down in the rate of gap domain shifts, which is necessary to correctly position domain boundaries and to stabilise the spatial gap gene expression pattern. We use a newly developed method for the analysis of transient dynamics in non-autonomous (time-variable) systems to understand the regulatory causes of these effects. By providing a rigorous mechanistic explanation for the role of maternal gradient decay in gap gene regulation, our study demonstrates that such analyses are feasible and reveal important aspects of dynamic gene regulation which would have been missed by a traditional steady-state approach. More generally, it highlights the importance of transient dynamics for understanding complex regulatory processes in development.

Transient synchrony among populations of five foliage-feeding Lepidoptera

Treesearch

Maartje J. Klapwijk; Jonathan A. Walter; Anikó Hirka; György Csóka; Christer Björkman; Andrew M. Liebhold

2018-01-01

Studies of transient population dynamics have largely focused on temporal changes in dynamical behaviour, such as the transition between periods of stability and instability. This study explores a related dynamic pattern, namely transient synchrony during a 49-year period among populations of five sympatric species of forest insects that share host tree resources. The...

Correlating structural dynamics and catalytic activity of AgAu nanoparticles with ultrafast spectroscopy and all-atom molecular dynamics simulations.

PubMed

Ferbonink, G F; Rodrigues, T S; Dos Santos, D P; Camargo, P H C; Albuquerque, R Q; Nome, R A

2018-05-29

In this study, we investigated hollow AgAu nanoparticles with the goal of improving our understanding of the composition-dependent catalytic activity of these nanoparticles. AgAu nanoparticles were synthesized via the galvanic replacement method with controlled size and nanoparticle compositions. We studied extinction spectra with UV-Vis spectroscopy and simulations based on Mie theory and the boundary element method, and ultrafast spectroscopy measurements to characterize decay constants and the overall energy transfer dynamics as a function of AgAu composition. Electron-phonon coupling times for each composition were obtained from pump-power dependent pump-probe transients. These spectroscopic studies showed how nanoscale surface segregation, hollow interiors and porosity affect the surface plasmon resonance wavelength and fundamental electron-phonon coupling times. Analysis of the spectroscopic data was used to correlate electron-phonon coupling times to AgAu composition, and thus to surface segregation and catalytic activity. We have performed all-atom molecular dynamics simulations of model hollow AgAu core-shell nanoparticles to characterize nanoparticle stability and equilibrium structures, besides providing atomic level views of nanoparticle surface segregation. Overall, the basic atomistic and electron-lattice dynamics of core-shell AgAu nanoparticles characterized here thus aid the mechanistic understanding and performance optimization of AgAu nanoparticle catalysts.

Down to the roughness scale assessment of piston-ring/liner contacts

NASA Astrophysics Data System (ADS)

Checo, H. M.; Jaramillo, A.; Ausas, R. F.; Jai, M.; Buscaglia, G. C.

2017-02-01

The effects of surface roughness in hydrodynamic bearings been accounted for through several approaches, the most widely used being averaging or stochastic techniques. With these the surface is not treated “as it is”, but by means of an assumed probability distribution for the roughness. The so called direct, deterministic or measured-surface simulation) solve the lubrication problem with realistic surfaces down to the roughness scale. This leads to expensive computational problems. Most researchers have tackled this problem considering non-moving surfaces and neglecting the ring dynamics to reduce the computational burden. What is proposed here is to solve the fully-deterministic simulation both in space and in time, so that the actual movement of the surfaces and the rings dynamics are taken into account. This simulation is much more complex than previous ones, as it is intrinsically transient. The feasibility of these fully-deterministic simulations is illustrated two cases: fully deterministic simulation of liner surfaces with diverse finishings (honed and coated bores) with constant piston velocity and load on the ring and also in real engine conditions.

Dynamic Characteristics of a Simple Brayton Cryocycle

NASA Astrophysics Data System (ADS)

Kutzschbach, A.; Kauschke, M.; Haberstroh, Ch.; Quack, H.

2006-04-01

The goal of the overall program is to develop a dynamic numerical model of helium refrigerators and the associated cooling systems based on commercial simulation software. The aim is to give system designers a tool to search for optimum control strategies during the construction phase of the refrigerator with the help of a plant "simulator". In a first step, a simple Brayton refrigerator has been investigated, which consists of a compressor, an after-cooler, a counter-current heat exchanger, a turboexpander and a heat source. Operating modes are "refrigeration" and "liquefaction". Whereas for the steady state design only component efficiencies are needed and mass and energy balances have to be calculated, for the dynamic calculation one needs also the thermal masses and the helium inventory. Transient mass and energy balances have to be formulated for many small elements and then solved simultaneously for all elements. Starting point of the simulation of the Brayton cycle is the steady state operation at design conditions. The response of the system to step and cyclic changes of the refrigeration or liquefaction rate are calculated and characterized.

Femtosecond excitation tuning and site energy memory of population transfer in poly(p-phenylenevinylene): Gated luminescence experiments and simulation

NASA Astrophysics Data System (ADS)

Sperling, J.; Milota, F.; Tortschanoff, A.; Warmuth, Ch.; Mollay, B.; Bässler, H.; Kauffmann, H. F.

2002-12-01

We present a comprehensive experimental and computational study on fs-relaxational dynamics of optical excitations in the conjugated polymer poly(p-phenylenevinylene) (PPV) under selective excitation tuning conditions into the long-wavelength, low-vibrational S1ν=0-density-of-states (DOS). The dependence of single-wavelength luminescence kinetics and time-windowed spectral transients on distinct, initial excitation boundaries at 1.4 K and at room temperature was measured applying the luminescence up-conversion technique. The typical energy-dispersive intra-DOS energy transfer was simulated by a combination of static Monte Carlo method with a dynamical algorithm for solving the energy-space transport Master-Equation in population-space. For various, selective excitations that give rise to specific S1-population distributions in distinct spatial and energetic subspaces inside the DOS, simulations confirm the experimental results and show that the subsequent, energy-dissipative, multilevel relaxation is hierarchically constrained, and reveals a pronounced site-energy memory effect with a migration-threshold, characteristic of the (dressed) excitation dynamics in the disordered PPV many-body system.

Slow dynamics in translation-invariant quantum lattice models

NASA Astrophysics Data System (ADS)

Michailidis, Alexios A.; Žnidarič, Marko; Medvedyeva, Mariya; Abanin, Dmitry A.; Prosen, Tomaž; Papić, Z.

2018-03-01

Many-body quantum systems typically display fast dynamics and ballistic spreading of information. Here we address the open problem of how slow the dynamics can be after a generic breaking of integrability by local interactions. We develop a method based on degenerate perturbation theory that reveals slow dynamical regimes and delocalization processes in general translation invariant models, along with accurate estimates of their delocalization time scales. Our results shed light on the fundamental questions of the robustness of quantum integrable systems and the possibility of many-body localization without disorder. As an example, we construct a large class of one-dimensional lattice models where, despite the absence of asymptotic localization, the transient dynamics is exceptionally slow, i.e., the dynamics is indistinguishable from that of many-body localized systems for the system sizes and time scales accessible in experiments and numerical simulations.

Improvement of CFD Methods for Modeling Full Scale Circulating Fluidized Bed Combustion Systems

NASA Astrophysics Data System (ADS)

Shah, Srujal; Klajny, Marcin; Myöhänen, Kari; Hyppänen, Timo

With the currently available methods of computational fluid dynamics (CFD), the task of simulating full scale circulating fluidized bed combustors is very challenging. In order to simulate the complex fluidization process, the size of calculation cells should be small and the calculation should be transient with small time step size. For full scale systems, these requirements lead to very large meshes and very long calculation times, so that the simulation in practice is difficult. This study investigates the requirements of cell size and the time step size for accurate simulations, and the filtering effects caused by coarser mesh and longer time step. A modeling study of a full scale CFB furnace is presented and the model results are compared with experimental data.

Full-Scale Crash Test and Finite Element Simulation of a Composite Prototype Helicopter

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Boitnott, Richard L.; Lyle, Karen H.

2003-01-01

A full-scale crash test of a prototype composite helicopter was performed at the Impact Dynamics Research Facility at NASA Langley Research Center in 1999 to obtain data for validation of a finite element crash simulation. The helicopter was the flight test article built by Sikorsky Aircraft during the Advanced Composite Airframe Program (ACAP). The composite helicopter was designed to meet the stringent Military Standard (MIL-STD-1290A) crashworthiness criteria and was outfitted with two crew and two troop seats and four anthropomorphic dummies. The test was performed at 38-ft/s vertical and 32.5-ft/s horizontal velocity onto a rigid surface. An existing modal-vibration model of the Sikorsky ACAP helicopter was converted into a model suitable for crash simulation. A two-stage modeling approach was implemented and an external user-defined subroutine was developed to represent the complex landing gear response. The crash simulation was executed with a nonlinear, explicit transient dynamic finite element code. Predictions of structural deformation and failure, the sequence of events, and the dynamic response of the airframe structure were generated and the numerical results were correlated with the experimental data to validate the simulation. The test results, the model development, and the test-analysis correlation are described.

System Simulation of Nuclear Power Plant by Coupling RELAP5 and Matlab/Simulink

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

Meng Lin; Dong Hou; Zhihong Xu

2006-07-01

Since RELAP5 code has general and advanced features in thermal-hydraulic computation, it has been widely used in transient and accident safety analysis, experiment planning analysis, and system simulation, etc. So we wish to design, analyze, verify a new Instrumentation And Control (I and C) system of Nuclear Power Plant (NPP) based on the best-estimated code, and even develop our engineering simulator. But because of limited function of simulating control and protection system in RELAP5, it is necessary to expand the function for high efficient, accurate, flexible design and simulation of I and C system. Matlab/Simulink, a scientific computation software, justmore » can compensate the limitation, which is a powerful tool in research and simulation of plant process control. The software is selected as I and C part to be coupled with RELAP5 code to realize system simulation of NPPs. There are two key techniques to be solved. One is the dynamic data exchange, by which Matlab/Simulink receives plant parameters and returns control results. Database is used to communicate the two codes. Accordingly, Dynamic Link Library (DLL) is applied to link database in RELAP5, while DLL and S-Function is applied in Matlab/Simulink. The other problem is synchronization between the two codes for ensuring consistency in global simulation time. Because Matlab/Simulink always computes faster than RELAP5, the simulation time is sent by RELAP5 and received by Matlab/Simulink. A time control subroutine is added into the simulation procedure of Matlab/Simulink to control its simulation advancement. Through these ways, Matlab/Simulink is dynamically coupled with RELAP5. Thus, in Matlab/Simulink, we can freely design control and protection logic of NPPs and test it with best-estimated plant model feedback. A test will be shown to illuminate that results of coupling calculation are nearly the same with one of single RELAP5 with control logic. In practice, a real Pressurized Water Reactor (PWR) is modeled by RELAP5 code, and its main control and protection system is duplicated by Matlab/Simulink. Some steady states and transients are calculated under control of these I and C systems, and the results are compared with the plant test curves. The application showed that it can do exact system simulation of NPPs by coupling RELAP5 and Matlab/Simulink. This paper will mainly focus on the coupling method, plant thermal-hydraulic model, main control logics, test and application results. (authors)« less

Impact of dynamic vegetation phenology on the simulated pan-Arctic land surface state

NASA Astrophysics Data System (ADS)

Teufel, Bernardo; Sushama, Laxmi; Arora, Vivek K.; Verseghy, Diana

2018-03-01

The pan-Arctic land surface is undergoing rapid changes in a warming climate, with near-surface permafrost projected to degrade significantly during the twenty-first century. Vegetation-related feedbacks have the potential to influence the rate of degradation of permafrost. In this study, the impact of dynamic phenology on the pan-Arctic land surface state, particularly near-surface permafrost, for the 1961-2100 period, is assessed by comparing two simulations of the Canadian Land Surface Scheme (CLASS)—one with dynamic phenology, modelled using the Canadian Terrestrial Ecosystem Model (CTEM), and the other with prescribed phenology. These simulations are forced by atmospheric data from a transient climate change simulation of the 5th generation Canadian Regional Climate Model (CRCM5) for the Representative Concentration Pathway 8.5 (RCP8.5). Comparison of the CLASS coupled to CTEM simulation to available observational estimates of plant area index, spatial distribution of permafrost and active layer thickness suggests that the model captures reasonably well the overall distribution of vegetation and permafrost. It is shown that the most important impact of dynamic phenology on the land surface occurs through albedo and it is demonstrated for the first time that vegetation control on albedo during late spring and early summer has the highest potential to impact the degradation of permafrost. While both simulations show extensive near-surface permafrost degradation by the end of the twenty-first century, the strong projected response of vegetation to climate warming and increasing CO2 concentrations in the coupled simulation results in accelerated permafrost degradation in the northernmost continuous permafrost regions.

Considering transient population dynamics in the conservation of slow life-history species: An application to the sandhill crane

USGS Publications Warehouse

Gerber, Brian D.; Kendall, William L.

2016-01-01

The importance of transient dynamics of structured populations is increasingly recognized in ecology, yet these implications are not largely considered in conservation practices. We investigate transient and long-term population dynamics to demonstrate the process and utility of incorporating transient dynamics into conservation research and to better understand the population management of slow life-history species; these species can be theoretically highly sensitive to short- and long-term transient effects. We are specifically interested in the effects of anthropogenic removal of individuals from populations, such as caused by harvest, poaching, translocation, or incidental take. We use the sandhill crane (Grus canadensis) as an exemplar species; it is long-lived, has low reproduction, late maturity, and multiple populations are subject to sport harvest. We found sandhill cranes to have extremely high potential, but low likelihood for transient dynamics, even when the population is being harvested. The typically low population growth rate of slow life-history species appears to buffer against many perturbations causing large transient effects. Transient dynamics will dominate population trajectories of these species when stage structures are highly biased towards the younger and non-reproducing individuals, a situation that may be rare in established populations of long-lived animals. However, short-term transient population growth can be highly sensitive to vital rates that are relatively insensitive under equilibrium, suggesting that stage structure should be known if perturbation analysis is used to identify effective conservation strategies. For populations of slow life-history species that are not prone to large perturbations to their most productive individuals, population growth may be approximated by equilibrium dynamics.

A 4-cylinder Stirling engine computer program with dynamic energy equations

NASA Technical Reports Server (NTRS)

Daniele, C. J.; Lorenzo, C. F.

1983-01-01

A computer program for simulating the steady state and transient performance of a four cylinder Stirling engine is presented. The thermodynamic model includes both continuity and energy equations and linear momentum terms (flow resistance). Each working space between the pistons is broken into seven control volumes. Drive dynamics and vehicle load effects are included. The model contains 70 state variables. Also included in the model are piston rod seal leakage effects. The computer program includes a model of a hydrogen supply system, from which hydrogen may be added to the system to accelerate the engine. Flow charts are provided.

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

PubMed

Limmer, David T; Chandler, David

2015-01-01

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

ENGINEERING APPLICATIONS OF ANALOG COMPUTERS

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

Bryant, L.T.; Janicke, M.J.; Just, L.C.

1961-02-01

Six examples are given of the application of analog computers in the fields of reactor engineering, heat transfer, and dynamics: deceleration of a reactor control rod by dashpot, pressure variations through a packed bed, reactor kinetics over many decades with thermal feedback (simulation of a TREAT transient), vibrating system with two degrees of freedom, temperature distribution in a radiating fin, and temperature distribution in an irfinite slab with variable thermal properties. (D.L.C.)

Francis-99: Transient CFD simulation of load changes and turbine shutdown in a model sized high-head Francis turbine

NASA Astrophysics Data System (ADS)

Mössinger, Peter; Jester-Zürker, Roland; Jung, Alexander

2017-01-01

With increasing requirements for hydropower plant operation due to intermittent renewable energy sources like wind and solar, numerical simulations of transient operations in hydraulic turbo machines become more important. As a continuation of the work performed for the first workshop which covered three steady operating conditions, in the present paper load changes and a shutdown procedure are investigated. The findings of previous studies are used to create a 360° model and compare measurements with simulation results for the operating points part load, high load and best efficiency. A mesh motion procedure is introduced, allowing to represent moving guide vanes for load changes from best efficiency to part load and high load. Additionally an automated re-mesh procedure is added for turbine shutdown to ensure reliable mesh quality during guide vane closing. All three transient operations are compared to PIV velocity measurements in the draft tube and pressure signals in the vaneless space. Simulation results of axial velocity distributions for all three steady operation points, during both load changes and for the shutdown correlated well with the measurement. An offset at vaneless space pressure is found to be a result of guide vane corrections for the simulation to ensure similar velocity fields. Short-time Fourier transformation indicating increasing amplitudes and frequencies at speed-no load conditions. Further studies will discuss the already measured start-up procedure and investigate the necessity to consider the hydraulic system dynamics upstream of the turbine by means of a 1D3D coupling between the 3D flow field and a 1D system model.

COMPUTATIONAL MODELING OF CIRCULATING FLUIDIZED BED REACTORS

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

Ibrahim, Essam A

2013-01-09

Details of numerical simulations of two-phase gas-solid turbulent flow in the riser section of Circulating Fluidized Bed Reactor (CFBR) using Computational Fluid Dynamics (CFD) technique are reported. Two CFBR riser configurations are considered and modeled. Each of these two riser models consist of inlet, exit, connecting elbows and a main pipe. Both riser configurations are cylindrical and have the same diameter but differ in their inlet lengths and main pipe height to enable investigation of riser geometrical scaling effects. In addition, two types of solid particles are exploited in the solid phase of the two-phase gas-solid riser flow simulations tomore » study the influence of solid loading ratio on flow patterns. The gaseous phase in the two-phase flow is represented by standard atmospheric air. The CFD-based FLUENT software is employed to obtain steady state and transient solutions for flow modulations in the riser. The physical dimensions, types and numbers of computation meshes, and solution methodology utilized in the present work are stated. Flow parameters, such as static and dynamic pressure, species velocity, and volume fractions are monitored and analyzed. The differences in the computational results between the two models, under steady and transient conditions, are compared, contrasted, and discussed.« less

Transient effects of drying creep in nanoporous solids: understanding the effects of nanoscale energy barriers

NASA Astrophysics Data System (ADS)

Sinko, Robert; Vandamme, Matthieu; Bažant, Zdeněk P.; Keten, Sinan

2016-07-01

The Pickett effect is the phenomenon of creep enhancement during transient drying. It has been observed for many nanoporous solids, including concrete, wood and Kevlar. While the existing micromechanical models can partially explain this effect, they have yet to consider nanoscale dynamic effects of water in nanopores, which are believed to be of paramount importance. Here, we examine how creep deformations in a slit pore are accelerated by the motion of water due to drying forces using coarse-grained molecular dynamics simulations. We find that the drying that drives water flow in the nanopores lowers both the activation energy of pore walls sliding past one another and the apparent viscosity of confined water molecules. This lowering can be captured with an analytical Arrhenius relationship accounting for the role of water flow in overcoming the energy barriers. Notably, we use this model and simulation results to demonstrate that the drying creep strain is not linearly dependent on the applied creep stress at the nanopore level. Our findings establish the scaling relationships that explain how the creep driving force, drying force and fluid properties are related. Thus, we establish the nanoscale origins of the Pickett effect and provide strategies for minimizing the additional displacements arising from this effect.

Transient effects of drying creep in nanoporous solids: understanding the effects of nanoscale energy barriers

PubMed Central

Sinko, Robert; Vandamme, Matthieu; Keten, Sinan

2016-01-01

The Pickett effect is the phenomenon of creep enhancement during transient drying. It has been observed for many nanoporous solids, including concrete, wood and Kevlar. While the existing micromechanical models can partially explain this effect, they have yet to consider nanoscale dynamic effects of water in nanopores, which are believed to be of paramount importance. Here, we examine how creep deformations in a slit pore are accelerated by the motion of water due to drying forces using coarse-grained molecular dynamics simulations. We find that the drying that drives water flow in the nanopores lowers both the activation energy of pore walls sliding past one another and the apparent viscosity of confined water molecules. This lowering can be captured with an analytical Arrhenius relationship accounting for the role of water flow in overcoming the energy barriers. Notably, we use this model and simulation results to demonstrate that the drying creep strain is not linearly dependent on the applied creep stress at the nanopore level. Our findings establish the scaling relationships that explain how the creep driving force, drying force and fluid properties are related. Thus, we establish the nanoscale origins of the Pickett effect and provide strategies for minimizing the additional displacements arising from this effect. PMID:27493584

Transient effects of drying creep in nanoporous solids: understanding the effects of nanoscale energy barriers.

PubMed

Sinko, Robert; Vandamme, Matthieu; Bažant, Zdeněk P; Keten, Sinan

2016-07-01

The Pickett effect is the phenomenon of creep enhancement during transient drying. It has been observed for many nanoporous solids, including concrete, wood and Kevlar. While the existing micromechanical models can partially explain this effect, they have yet to consider nanoscale dynamic effects of water in nanopores, which are believed to be of paramount importance. Here, we examine how creep deformations in a slit pore are accelerated by the motion of water due to drying forces using coarse-grained molecular dynamics simulations. We find that the drying that drives water flow in the nanopores lowers both the activation energy of pore walls sliding past one another and the apparent viscosity of confined water molecules. This lowering can be captured with an analytical Arrhenius relationship accounting for the role of water flow in overcoming the energy barriers. Notably, we use this model and simulation results to demonstrate that the drying creep strain is not linearly dependent on the applied creep stress at the nanopore level. Our findings establish the scaling relationships that explain how the creep driving force, drying force and fluid properties are related. Thus, we establish the nanoscale origins of the Pickett effect and provide strategies for minimizing the additional displacements arising from this effect.

Transient vibration analytical modeling and suppressing for vibration absorber system under impulse excitation

NASA Astrophysics Data System (ADS)

Wang, Xi; Yang, Bintang; Yu, Hu; Gao, Yulong

2017-04-01

The impulse excitation of mechanism causes transient vibration. In order to achieve adaptive transient vibration control, a method which can exactly model the response need to be proposed. This paper presents an analytical model to obtain the response of the primary system attached with dynamic vibration absorber (DVA) under impulse excitation. The impulse excitation which can be divided into single-impulse excitation and multi-impulse excitation is simplified as sinusoidal wave to establish the analytical model. To decouple the differential governing equations, a transform matrix is applied to convert the response from the physical coordinate to model coordinate. Therefore, the analytical response in the physical coordinate can be obtained by inverse transformation. The numerical Runge-Kutta method and experimental tests have demonstrated the effectiveness of the analytical model proposed. The wavelet of the response indicates that the transient vibration consists of components with multiple frequencies, and it shows that the modeling results coincide with the experiments. The optimizing simulations based on genetic algorithm and experimental tests demonstrate that the transient vibration of the primary system can be decreased by changing the stiffness of the DVA. The results presented in this paper are the foundations for us to develop the adaptive transient vibration absorber in the future.

Impact Testing and Simulation of a Crashworthy Composite Fuselage Section with Energy-Absorbing Seats and Dummies

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.

2002-01-01

A 25-ft/s vertical drop test of a composite fuselage section was conducted with two energy-absorbing seats occupied by anthropomorphic dummies to evaluate the crashworthy features of the fuselage section and to determine its interaction with the seats and dummies. The 5-ft. diameter fuselage section consists of a stiff structural floor and an energy-absorbing subfloor constructed of Rohacel foam blocks. The experimental data from this test were analyzed and correlated with predictions from a crash simulation developed using the nonlinear, explicit transient dynamic computer code, MSC.Dytran. The anthropomorphic dummies were simulated using the Articulated Total Body (ATB) code, which is integrated into MSC.Dytran.

Impact Testing and Simulation of a Crashworthy Composite Fuselage Section with Energy-Absorbing Seats and Dummies

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.

2002-01-01

A 25-ft/s vertical drop test of a composite fuselage section was conducted with two energy-absorbing seats occupied by anthropomorphic dummies to evaluate the crashworthy features of the fuselage section and to determine its interaction with the seats and dummies. The 5-ft diameter fuselage section consists of a stiff structural floor and an energy-absorbing subfloor constructed of Rohacel foam blocks. The experimental data from this test were analyzed and correlated with predictions from a crash simulation developed using the nonlinear, explicit transient dynamic computer code, MSC.Dytran. The anthropomorphic dummies were simulated using the Articulated Total Body (ATB) code, which is integrated into MSC.Dytran.

Evaluation of Start Transient Oscillations with the J-2X Engine Gas Generator Assembly

NASA Technical Reports Server (NTRS)

Hulka, J. R.; Morgan, C. J.; Casiano, M. J.

2015-01-01

During development of the gas generator for the liquid oxygen/liquid hydrogen propellant J-2X rocket engine, distinctive and oftentimes high-amplitude pressure oscillations and hardware vibrations occurred during the start transient of nearly every workhorse gas generator assembly test, as well as during many tests of engine system hardware. These oscillations appeared whether the steady-state conditions exhibited stable behavior or not. They occurred similarly with three different injector types, and with every combustion chamber configuration tested, including chamber lengths ranging over a 5:1 range, several different nozzle types, and with or without a side branch line simulating a turbine spin start gas supply line. Generally, two sets of oscillations occurred, one earlier in the start transient and at higher frequencies, and the other almost immediately following and at lower frequencies. Multiple dynamic pressure measurements in the workhorse combustion chambers indicated that the oscillations were associated with longitudinal acoustic modes of the combustion chambers, with the earlier and higher frequency oscillation usually related to the second longitudinal acoustic mode and the later and lower frequency oscillation usually related to the first longitudinal acoustic mode. Given that several early development gas generator assemblies exhibited unstable behavior at frequencies near the first longitudinal acoustic modes of longer combustion chambers, the start transient oscillations are presumed to provide additional insight into the nature of the combustion instability mechanisms. Aspects of the steadystate oscillations and combustion instabilities from development and engine system test programs have been reported extensively in the three previous JANNAF Liquid Propulsion Subcommittee meetings (see references below). This paper describes the hardware configurations, start transient sequence operations, and transient and dynamic test data during the start transient. The implications of these results on previous analyses and understanding of the combustion instability observed during steady-state conditions, especially the effects of injector influences, is discussed.

A Nonlinear Mixed Effects Approach for Modeling the Cell-To-Cell Variability of Mig1 Dynamics in Yeast

PubMed Central

Almquist, Joachim; Bendrioua, Loubna; Adiels, Caroline Beck; Goksör, Mattias; Hohmann, Stefan; Jirstrand, Mats

2015-01-01

The last decade has seen a rapid development of experimental techniques that allow data collection from individual cells. These techniques have enabled the discovery and characterization of variability within a population of genetically identical cells. Nonlinear mixed effects (NLME) modeling is an established framework for studying variability between individuals in a population, frequently used in pharmacokinetics and pharmacodynamics, but its potential for studies of cell-to-cell variability in molecular cell biology is yet to be exploited. Here we take advantage of this novel application of NLME modeling to study cell-to-cell variability in the dynamic behavior of the yeast transcription repressor Mig1. In particular, we investigate a recently discovered phenomenon where Mig1 during a short and transient period exits the nucleus when cells experience a shift from high to intermediate levels of extracellular glucose. A phenomenological model based on ordinary differential equations describing the transient dynamics of nuclear Mig1 is introduced, and according to the NLME methodology the parameters of this model are in turn modeled by a multivariate probability distribution. Using time-lapse microscopy data from nearly 200 cells, we estimate this parameter distribution according to the approach of maximizing the population likelihood. Based on the estimated distribution, parameter values for individual cells are furthermore characterized and the resulting Mig1 dynamics are compared to the single cell times-series data. The proposed NLME framework is also compared to the intuitive but limited standard two-stage (STS) approach. We demonstrate that the latter may overestimate variabilities by up to almost five fold. Finally, Monte Carlo simulations of the inferred population model are used to predict the distribution of key characteristics of the Mig1 transient response. We find that with decreasing levels of post-shift glucose, the transient response of Mig1 tend to be faster, more extended, and displays an increased cell-to-cell variability. PMID:25893847

A transient fully coupled climate-ice-sheet simulation of the last glacial inception

NASA Astrophysics Data System (ADS)

Lofverstrom, M.; Otto-Bliesner, B. L.; Lipscomb, W. H.; Fyke, J. G.; Marshall, S.; Sacks, B.; Brady, E. C.

2017-12-01

The last glacial inception occurred around 115 ka, following a relative minimum in the Northern Hemisphere summer insolation. It is believed that small and spatially separated ice caps initially formed in the high elevation regions of northern Canada, Scandinavia, and along the Siberian Arctic coast. These ice caps subsequently migrated down in the valleys where they coalesced and formed the initial seeds of the large coherent ice masses that covered the northern parts of the North American and Eurasian continents over most of the last glacial cycle. Sea level records show that the initial growth period lasted for about 10 kyrs, and the resulting ice sheets may have lowered the global sea level by as much as 30 to 50 meters. Here we examine the transient climate system evolution over the period between 118 and 110 ka, using the fully coupled Community Earth System Model, version 2 (CESM2). This model features a two-way coupled high-resolution (4x4 km) ice-sheet component (Community Ice Sheet model, version 2; CISM2) that simulates ice sheets as an interactive component of the climate system. We impose a transient forcing protocol where the greenhouse gas concentrations and the orbital parameters follow the nominal year in the simulation; the model topography is also dynamically evolving in order to reflect changes in ice elevation throughout the simulation. The analysis focuses on how the climate system evolves over this time interval, with a special focus on glacial inception in the high-latitude continents. Results will highlight how the evolving ice sheets compare to data and previous model based reconstructions.

Simulating the biogeochemical and biogeophysical impacts of transient land cover change and wood harvest in the Community Climate System Model (CCSM4) from 1850 to 2100

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

Lawrence, Peter J.; Feddema, Johannes J.; Bonan, Gordon B.

To assess the climate impacts of historical and projected land cover change and land use in the Community Climate System Model (CCSM4) we have developed new time series of transient Community Land Model (CLM4) Plant Functional Type (PFT) parameters and wood harvest parameters. The new parameters capture the dynamics of the Coupled Model Inter-comparison Project phase 5 (CMIP5) land cover change and wood harvest trajectories for the historical period from 1850 to 2005, and for the four Representative Concentration Pathways (RCP) periods from 2006 to 2100. Analysis of the biogeochemical impacts of land cover change in CCSM4 with the parametersmore » found the model produced an historical cumulative land use flux of 148.4 PgC from 1850 to 2005, which was in good agreement with other global estimates of around 156 PgC for the same period. The biogeophysical impacts of only applying the transient land cover change parameters in CCSM4 were cooling of the near surface atmospheric over land by -0.1OC, through increased surface albedo and reduced shortwave radiation absorption. When combined with other transient climate forcings, the higher albedo from land cover change was overwhelmed at global scales by decreases in snow albedo from black carbon deposition and from high latitude warming. At regional scales however the land cover change forcing persisted resulting in reduced warming, with the biggest impacts in eastern North America. The future CCSM4 RCP simulations showed that the CLM4 transient PFT and wood harvest parameters could be used to represent a wide range of human land cover change and land use scenarios. Furthermore, these simulations ranged from the RCP 4.5 reforestation scenario that was able to draw down 82.6 PgC from the atmosphere, to the RCP 8.5 wide scale deforestation scenario that released 171.6 PgC to the atmosphere.« less

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.

Defined lipid analogues induce transient channels to facilitate drug-membrane traversal and circumvent cancer therapy resistance

PubMed Central

van Hell, Albert J.; Melo, Manuel N.; van Blitterswijk, Wim J.; Gueth, Dayana M.; Braumuller, Tanya M.; Pedrosa, Lilia R. C.; Song, Ji-Ying; Marrink, Siewert J.; Koning, Gerben A.; Jonkers, Jos; Verheij, Marcel

2013-01-01

Design and efficacy of bioactive drugs is restricted by their (in)ability to traverse cellular membranes. Therapy resistance, a major cause of ineffective cancer treatment, is frequently due to suboptimal intracellular accumulation of the drug. We report a molecular mechanism that promotes trans-membrane movement of a stereotypical, widely used anti-cancer agent to counteract resistance. Well-defined lipid analogues adapt to the amphiphilic drug doxorubicin, when co-inserted into the cell membrane, and assemble a transient channel that rapidly facilitates the translocation of the drug onto the intracellular membrane leaflet. Molecular dynamic simulations unveiled the structure and dynamics of membrane channel assembly. We demonstrate that this principle successfully addresses multi-drug resistance of genetically engineered mouse breast cancer models. Our results illuminate the role of the plasma membrane in restricting the efficacy of established therapies and drug resistance - and provide a mechanism to overcome ineffectiveness of existing and candidate drugs. PMID:23739489

Rotordynamics on the PC: Transient Analysis With ARDS

NASA Technical Reports Server (NTRS)

Fleming, David P.

1997-01-01

Personal computers can now do many jobs that formerly required a large mainframe computer. An example is NASA Lewis Research Center's program Analysis of RotorDynamic Systems (ARDS), which uses the component mode synthesis method to analyze the dynamic motion of up to five rotating shafts. As originally written in the early 1980's, this program was considered large for the mainframe computers of the time. ARDS, which was written in Fortran 77, has been successfully ported to a 486 personal computer. Plots appear on the computer monitor via calls programmed for the original CALCOMP plotter; plots can also be output on a standard laser printer. The executable code, which uses the full array sizes of the mainframe version, easily fits on a high-density floppy disk. The program runs under DOS with an extended memory manager. In addition to transient analysis of blade loss, step turns, and base acceleration, with simulation of squeeze-film dampers and rubs, ARDS calculates natural frequencies and unbalance response.

Selective ultrafast probing of transient hot chemisorbed and precursor states of CO on Ru(0001).

PubMed

Beye, M; Anniyev, T; Coffee, R; Dell'Angela, M; Föhlisch, A; Gladh, J; Katayama, T; Kaya, S; Krupin, O; Møgelhøj, A; Nilsson, A; Nordlund, D; Nørskov, J K; Öberg, H; Ogasawara, H; Pettersson, L G M; Schlotter, W F; Sellberg, J A; Sorgenfrei, F; Turner, J J; Wolf, M; Wurth, W; Oström, H

2013-05-03

We have studied the femtosecond dynamics following optical laser excitation of CO adsorbed on a Ru surface by monitoring changes in the occupied and unoccupied electronic structure using ultrafast soft x-ray absorption and emission. We recently reported [M. Dell'Angela et al. Science 339, 1302 (2013)] a phonon-mediated transition into a weakly adsorbed precursor state occurring on a time scale of >2 ps prior to desorption. Here we focus on processes within the first picosecond after laser excitation and show that the metal-adsorbate coordination is initially increased due to hot-electron-driven vibrational excitations. This process is faster than, but occurs in parallel with, the transition into the precursor state. With resonant x-ray emission spectroscopy, we probe each of these states selectively and determine the respective transient populations depending on optical laser fluence. Ab initio molecular dynamics simulations of CO adsorbed on Ru(0001) were performed at 1500 and 3000 K providing insight into the desorption process.

Transient Analysis Generator /TAG/ simulates behavior of large class of electrical networks

NASA Technical Reports Server (NTRS)

Thomas, W. J.

1967-01-01

Transient Analysis Generator program simulates both transient and dc steady-state behavior of a large class of electrical networks. It generates a special analysis program for each circuit described in an easily understood and manipulated programming language. A generator or preprocessor and a simulation system make up the TAG system.

The North Pacific as a Regulator of Summertime Climate Over North America and the Asian Monsoon

NASA Technical Reports Server (NTRS)

Lau, William K. M.; Wang, H.

2004-01-01

The interannual variability of summertime rainfall over the U.S. may be linked to climate anomalies over Pacific and East Asia through teleconnection patterns that may be components of recurring global climate modes in boreal summer (Lau and Weng 2002). In this study, maintenance of the boreal summer teleconnection patterns is investigated. The particular focus is on the potential effects of North Pacific air-sea interaction on climate anomalies over the U.S. Observational data, reanalysis and outputs of a series of NASA NSIPP AGCM and AGCM coupled to NASA GSFC MLO model experiments are used. Statistical analysis of observations and NSIPP AMIP type simulations indicates that, the interannual variability of observed warm season precipitation over the U.S. is related to SST variation in both tropical and North Pacific, whereas the NSIPP AMIP simulated summertime US. precipitation variation mainly reflects impact of ENS0 in tropical Pacific. This implies the potential importance of air-sea interaction in North Pacific in contributing to the interannual variability of observed summer climate over the U.S. The anomalous atmospheric circulation associated with the dominant summertime teleconnection modes in both observations and NSIPP AMIP simulations are further diagnosed, using stationary wave modeling approach. In observations, for the two dominant modes, both anomalous diabatic heating and anomalous transients significantly contribute to the anomalous circulation. The distributions of the anomalous diabatic heating and transient forcing are quadrature configured over North Pacific and North America, so that both forcings act constructively to maintain the teleconnection patterns. The contrast between observations and NSIPP AMIP simulations from stationary wave modeling diagnosis confirms the previous conclusion based on statistical analysis. To better appreciate the role of extra-tropical air-sea interaction in maintaining the summertime teleconnection pattern, various dynamical and physical fields and their inter- linkage in the series of NSIPP AGCM and AGCM coupled to MLO model experiments are examined in-depth. Based on comparison between different model experiments, we will discuss the physical and dynamical mechanisms through which the air-sea interaction in extratropics, and transient mean flow interactions over the North Pacific, affects interannual variation of U.S. climate during boreal summer.

STOCHASTIC TRANSIENTS AS A SOURCE OF QUASI-PERIODIC PROCESSES IN THE SOLAR ATMOSPHERE

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

Yuan, Ding; Walsh, Robert W.; Su, Jiangtao

2016-06-01

Solar dynamics and turbulence occur at all heights of the solar atmosphere and could be described as stochastic processes. We propose that finite-lifetime transients recurring at a certain place could trigger quasi-periodic processes in the associated structures. In this study, we developed a mathematical model for finite-lifetime and randomly occurring transients, and found that quasi-periodic processes with periods longer than the timescale of the transients, are detectable intrinsically in the form of trains. We simulate their propagation in an empirical solar atmospheric model with chromosphere, transition region, and corona. We found that, due to the filtering effect of the chromosphericmore » cavity, only the resonance period of the acoustic resonator is able to propagate to the upper atmosphere; such a scenario is applicable to slow magnetoacoustic waves in sunspots and active regions. If the thermal structure of the atmosphere is less wild and acoustic resonance does not take place, the long-period oscillations could propagate to the upper atmosphere. Such a case would be more likely to occur in polar plumes.« less

Enhanced simulation software for rocket turbopump, turbulent, annular liquid seals

NASA Technical Reports Server (NTRS)

Padavala, Satya; Palazzolo, Alan

1994-01-01

One of the main objectives of this work is to develop a new dynamic analysis for liquid annular seals with arbitrary profile and to analyze a general distorted interstage seal of the space shuttle main engine high pressure oxygen turbopump (SSME-ATD-HPOTP). The dynamic analysis developed is based on a method originally proposed by Nelson and Nguyen. A simpler scheme based on cubic splines is found to be computationally more efficient and has better convergence properties at higher eccentricities. The first order solution of the original analysis is modified by including a more exact solution that takes into account the variation of perturbed variables along the circumference. A new set of equations for dynamic analysis are derived based on this more general model. A unified solution procedure that is valid for both Moody's and Hirs' friction models is presented. Dynamic analysis is developed for three different models: constant properties, variable properties, and thermal effects with variable properties. Arbitrarily varying seal profiles in both axial and circumferential directions are considered. An example case of an elliptical seal with varying degrees of axial curvature is analyzed in detail. A case study based on predicted clearances of an interstage seal of the SSME-ATD-HPOTP is presented. Dynamic coefficients based on external specified load are introduced to analyze seals that support a preload. The other objective of this work is to study the effect of large rotor displacements of SSME-ATD-HPOTP on the dynamics of the annular seal and the resulting transient motion. One task is to identify the magnitude of motion of the rotor about the centered position and establish limits of effectiveness of using current linear models. This task is accomplished by solving the bulk flow model seal governing equations directly for transient seal forces for any given type of motion, including motion with large eccentricities. Based on the above study, an equivalence is established between linearized coefficients based transient motion and the same motion as predicted by the original governing equations. An innovative method is developed to model nonlinearities in an annular seal based on dynamic coefficients computed at various static eccentricities. This method is thoroughly tested for various types of transient motion using bulk flow model results as a benchmark.

The electronically excited states of LH2 complexes from Rhodopseudomonas acidophila strain 10050 studied by time-resolved spectroscopy and dynamic Monte Carlo simulations. II. Homo-arrays of LH2 complexes reconstituted into phospholipid model membranes.

PubMed

Pflock, Tobias J; Oellerich, Silke; Krapf, Lisa; Southall, June; Cogdell, Richard J; Ullmann, G Matthias; Köhler, Jürgen

2011-07-21

We performed time-resolved spectroscopy on homoarrays of LH2 complexes from the photosynthetic purple bacterium Rhodopseudomonas acidophila. Variations of the fluorescence transients were monitored as a function of the excitation fluence and the repetition rate of the excitation. These parameters are directly related to the excitation density within the array and to the number of LH2 complexes that still carry a triplet state prior to the next excitation. Comparison of the experimental observations with results from dynamic Monte Carlo simulations for a model cluster of LH2 complexes yields qualitative agreement without the need for any free parameter and reveals the mutual relationship between energy transfer and annihilation processes.

Theoretical ultra-fast spectroscopy in transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Molina-Sanchez, Alejandro; Sangalli, Davide; Marini, Andrea; Wirtz, Ludger

Semiconducting 2D-materials like the transition metal dichalcogenides (TMDs) MoS2, MoSe2, WS2, WSe2 are promising alternatives to graphene for designing novel opto-electronic devices. The strong spin-orbit interaction along with the breaking of inversion symmetry in single-layer TMDs allow using the valley-index as a new quantum number. The practical use of valley physics depends on the lifetimes of valley-polarized excitons which are affected by scattering at phonons, impurities and by carrier-carrier interactions. The carrier dynamics can be monitored using ultra-fast spectroscopies such as pump-probe experiments. The carrier dynamics is simulated using non-equilibrium Green's function theory in an ab-initio framework. We include carrier relaxation through electron-phonon interaction. We obtain the transient absorption spectra of single-layer TMD and compare our simulations with recent pump-probe experiments

Variable-Speed Simulation of a Dual-Clutch Gearbox Tiltrotor Driveline

NASA Technical Reports Server (NTRS)

DeSmidt, Hans; Wang, Kon-Well; Smith, Edward C.; Lewicki, David G.

2012-01-01

This investigation explores the variable-speed operation and shift response of a prototypical two-speed dual-clutch transmission tiltrotor driveline in forward flight. Here, a Comprehensive Variable-Speed Rotorcraft Propulsion System Modeling (CVSRPM) tool developed under a NASA funded NRA program is utilized to simulate the drive system dynamics. In this study, a sequential shifting control strategy is analyzed under a steady forward cruise condition. This investigation attempts to build upon previous variable-speed rotorcraft propulsion studies by 1) including a fully nonlinear transient gas-turbine engine model, 2) including clutch stick-slip friction effects, 3) including shaft flexibility, 4) incorporating a basic flight dynamics model to account for interactions with the flight control system. Through exploring the interactions between the various subsystems, this analysis provides important insights into the continuing development of variable-speed rotorcraft propulsion systems.

Dynamic modulation of spike timing-dependent calcium influx during corticostriatal upstates

PubMed Central

Evans, R. C.; Maniar, Y. M.

2013-01-01

The striatum of the basal ganglia demonstrates distinctive upstate and downstate membrane potential oscillations during slow-wave sleep and under anesthetic. The upstates generate calcium transients in the dendrites, and the amplitude of these calcium transients depends strongly on the timing of the action potential (AP) within the upstate. Calcium is essential for synaptic plasticity in the striatum, and these large calcium transients during the upstates may control which synapses undergo plastic changes. To investigate the mechanisms that underlie the relationship between calcium and AP timing, we have developed a realistic biophysical model of a medium spiny neuron (MSN). We have implemented sophisticated calcium dynamics including calcium diffusion, buffering, and pump extrusion, which accurately replicate published data. Using this model, we found that either the slow inactivation of dendritic sodium channels (NaSI) or the calcium inactivation of voltage-gated calcium channels (CDI) can cause high calcium corresponding to early APs and lower calcium corresponding to later APs. We found that only CDI can account for the experimental observation that sensitivity to AP timing is dependent on NMDA receptors. Additional simulations demonstrated a mechanism by which MSNs can dynamically modulate their sensitivity to AP timing and show that sensitivity to specifically timed pre- and postsynaptic pairings (as in spike timing-dependent plasticity protocols) is altered by the timing of the pairing within the upstate. These findings have implications for synaptic plasticity in vivo during sleep when the upstate-downstate pattern is prominent in the striatum. PMID:23843436

Transient analysis mode participation for modal survey target mode selection using MSC/NASTRAN DMAP

NASA Technical Reports Server (NTRS)

Barnett, Alan R.; Ibrahim, Omar M.; Sullivan, Timothy L.; Goodnight, Thomas W.

1994-01-01

Many methods have been developed to aid analysts in identifying component modes which contribute significantly to component responses. These modes, typically targeted for dynamic model correlation via a modal survey, are known as target modes. Most methods used to identify target modes are based on component global dynamic behavior. It is sometimes unclear if these methods identify all modes contributing to responses important to the analyst. These responses are usually those in areas of hardware design concerns. One method used to check the completeness of target mode sets and identify modes contributing significantly to important component responses is mode participation. With this method, the participation of component modes in dynamic responses is quantified. Those modes which have high participation are likely modal survey target modes. Mode participation is most beneficial when it is used with responses from analyses simulating actual flight events. For spacecraft, these responses are generated via a structural dynamic coupled loads analysis. Using MSC/NASTRAN DMAP, a method has been developed for calculating mode participation based on transient coupled loads analysis results. The algorithm has been implemented to be compatible with an existing coupled loads methodology and has been used successfully to develop a set of modal survey target modes.

Analysis of the transient response of nuclear spins in GaAs with/without nuclear magnetic resonance

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

Rasly, Mahmoud; Lin, Zhichao; Yamamoto, Masafumi

As an alternative to studying the steady-state responses of nuclear spins in solid state systems, working within a transient-state framework can reveal interesting phenomena. The response of nuclear spins in GaAs to a changing magnetic field was analyzed based on the time evolution of nuclear spin temperature. Simulation results well reproduced our experimental results for the transient oblique Hanle signals observed in an all-electrical spin injection device. The analysis showed that the so called dynamic nuclear polarization can be treated as a cooling tool for the nuclear spins: It works as a provider to exchange spin angular momentum between polarizedmore » electron spins and nuclear spins through the hyperfine interaction, leading to an increase in the nuclear polarization. In addition, a time-delay of the nuclear spin temperature with a fast sweep of the external magnetic field produces a possible transient state for the nuclear spin polarization. On the other hand, the nuclear magnetic resonance acts as a heating tool for a nuclear spin system. This causes the nuclear spin temperature to jump to infinity: i.e., the average nuclear spins along with the nuclear field vanish at resonant fields of {sup 75}As, {sup 69}Ga and {sup 71}Ga, showing an interesting step-dip structure in the oblique Hanle signals. These analyses provide a quantitative understanding of nuclear spin dynamics in semiconductors for application in future computation processing.« less

A study of ignition and simulation circuits for arcjet thrusters, part 1. M.S. Thesis Final Report

NASA Technical Reports Server (NTRS)

Stuart, Thomas A.; King, Roger J.; Altenburger, Gene P.

1991-01-01

A 1 kW electronic load was programmed to simulate the nonlinear i-v (volt-ampere) characteristics of an arcjet, both ignited and unignited. The simulator was tested and found to closely resemble an arcjet both for large transients and small perturbances up to about 40 kHz. No attempt was made to simulate the ignition process itself. The dynamic behavior of the arcjet (and the simulator) was shown to differ significantly from that of a resistor bank. Previous research led to the design and construction of a 1 kW arcjet power supply. A high voltage ignition circuit was added to this hardware, and tests on a 1 kW arcjet were performed at NASA-Lewis. All tests were successful and no ignition failures were observed. Circuit documentation and test results are included.

A single particle model to simulate the dynamics of entangled polymer melts.

PubMed

Kindt, P; Briels, W J

2007-10-07

We present a computer simulation model of polymer melts representing each chain as one single particle. Besides the position coordinate of each particle, we introduce a parameter n(ij) for each pair of particles i and j within a specified distance from each other. These numbers, called entanglement numbers, describe the deviation of the system of ignored coordinates from its equilibrium state for the given configuration of the centers of mass of the polymers. The deviations of the entanglement numbers from their equilibrium values give rise to transient forces, which, together with the conservative forces derived from the potential of mean force, govern the displacements of the particles. We have applied our model to a melt of C(800)H(1602) chains at 450 K and have found good agreement with experiments and more detailed simulations. Properties addressed in this paper are radial distribution functions, dynamic structure factors, and linear as well as nonlinear rheological properties.

Disentangling polydispersity in the PCNA−p15PAF complex, a disordered, transient and multivalent macromolecular assembly

PubMed Central

Cordeiro, Tiago N.; Chen, Po-chia; De Biasio, Alfredo; Sibille, Nathalie; Blanco, Francisco J.; Hub, Jochen S.; Crehuet, Ramon

2017-01-01

Abstract The intrinsically disordered p15PAF regulates DNA replication and repair when interacting with the Proliferating Cell Nuclear Antigen (PCNA) sliding clamp. As many interactions between disordered proteins and globular partners involved in signaling and regulation, the complex between p15PAF and trimeric PCNA is of low affinity, forming a transient complex that is difficult to characterize at a structural level due to its inherent polydispersity. We have determined the structure, conformational fluctuations, and relative population of the five species that coexist in solution by combining small-angle X-ray scattering (SAXS) with molecular modelling. By using explicit ensemble descriptions for the individual species, built using integrative approaches and molecular dynamics (MD) simulations, we collectively interpreted multiple SAXS profiles as population-weighted thermodynamic mixtures. The analysis demonstrates that the N-terminus of p15PAF penetrates the PCNA ring and emerges on the back face. This observation substantiates the role of p15PAF as a drag regulating PCNA processivity during DNA repair. Our study reveals the power of ensemble-based approaches to decode structural, dynamic, and thermodynamic information from SAXS data. This strategy paves the way for deciphering the structural bases of flexible, transient and multivalent macromolecular assemblies involved in pivotal biological processes. PMID:28180305

Observations and Modeling of the Transient General Circulation of the North Pacific Basin

NASA Technical Reports Server (NTRS)

McWilliams, James C.

2000-01-01

Because of recent progress in satellite altimetry and numerical modeling and the accumulation and archiving of long records of hydrographic and meteorological variables, it is becoming feasible to describe and understand the transient general circulation of the ocean (i.e., variations with spatial scales larger than a few hundred kilometers and time scales of seasonal and longer-beyond the mesoscale). We have carried out various studies in investigation of the transient general circulation of the Pacific Ocean from a coordinated analysis of satellite altimeter data, historical hydrographic gauge data, scatterometer wind observations, reanalyzed operational wind fields, and a variety of ocean circulation models. Broadly stated, our goal was to achieve a phenomenological catalogue of different possible types of large-scale, low-frequency variability, as a context for understanding the observational record. The approach is to identify the simplest possible model from which particular observed phenomena can be isolated and understood dynamically and then to determine how well these dynamical processes are represented in more complex Oceanic General Circulation Models (OGCMs). Research results have been obtained on Rossby wave propagation and transformation, oceanic intrinsic low-frequency variability, effects of surface gravity waves, pacific data analyses, OGCM formulation and developments, and OGCM simulations of forced variability.

Profiling of Current Transients in Capacitor Type Diamond Sensors

PubMed Central

Gaubas, Eugenijus; Ceponis, Tomas; Meskauskaite, Dovile; Kazuchits, Nikolai

2015-01-01

The operational characteristics of capacitor-type detectors based on HPHT and CVD diamond have been investigated using perpendicular and parallel injection of carrier domain regimes. Simulations of the drift-diffusion current transients have been implemented by using dynamic models based on Shockley-Ramo’s theorem, under injection of localized surface domains and of bulk charge carriers. The bipolar drift-diffusion regimes have been analyzed for the photo-induced bulk domain (packet) of excess carriers. The surface charge formation and polarization effects dependent on detector biasing voltage have been revealed. The screening effects ascribed to surface charge and to dynamics of extraction of the injected bulk excess carrier domain have been separated and explained. The parameters of drift mobility of the electrons μe = 4000 cm2/Vs and holes μh = 3800 cm2/Vs have been evaluated for CVD diamond using the perpendicular profiling of currents. The coefficient of carrier ambipolar diffusion Da = 97 cm2/s and the carrier recombination lifetime τR,CVD ≌ 110 ns in CVD diamond were extracted by combining analysis of the transients of the sensor current and the microwave probed photoconductivity. The carrier trapping with inherent lifetime τR,HPHT ≌ 2 ns prevails in HPHT diamond. PMID:26061200

SiC-VJFETs power switching devices: an improved model and parameter optimization technique

NASA Astrophysics Data System (ADS)

Ben Salah, T.; Lahbib, Y.; Morel, H.

2009-12-01

Silicon carbide junction field effect transistor (SiC-JFETs) is a mature power switch newly applied in several industrial applications. SiC-JFETs are often simulated by Spice model in order to predict their electrical behaviour. Although such a model provides sufficient accuracy for some applications, this paper shows that it presents serious shortcomings in terms of the neglect of the body diode model, among many others in circuit model topology. Simulation correction is then mandatory and a new model should be proposed. Moreover, this paper gives an enhanced model based on experimental dc and ac data. New devices are added to the conventional circuit model giving accurate static and dynamic behaviour, an effect not accounted in the Spice model. The improved model is implemented into VHDL-AMS language and steady-state dynamic and transient responses are simulated for many SiC-VJFETs samples. Very simple and reliable optimization algorithm based on the optimization of a cost function is proposed to extract the JFET model parameters. The obtained parameters are verified by comparing errors between simulations results and experimental data.

Modelling and simulation of fuel cell dynamics for electrical energy usage of Hercules airplanes.

PubMed

Radmanesh, Hamid; Heidari Yazdi, Seyed Saeid; Gharehpetian, G B; Fathi, S H

2014-01-01

Dynamics of proton exchange membrane fuel cells (PEMFC) with hydrogen storage system for generating part of Hercules airplanes electrical energy is presented. Feasibility of using fuel cell (FC) for this airplane is evaluated by means of simulations. Temperature change and dual layer capacity effect are considered in all simulations. Using a three-level 3-phase inverter, FC's output voltage is connected to the essential bus of the airplane. Moreover, it is possible to connect FC's output voltage to airplane DC bus alternatively. PID controller is presented to control flow of hydrogen and oxygen to FC and improve transient and steady state responses of the output voltage to load disturbances. FC's output voltage is regulated via an ultracapacitor. Simulations are carried out via MATLAB/SIMULINK and results show that the load tracking and output voltage regulation are acceptable. The proposed system utilizes an electrolyser to generate hydrogen and a tank for storage. Therefore, there is no need for batteries. Moreover, the generated oxygen could be used in other applications in airplane.

Modelling and Simulation of Fuel Cell Dynamics for Electrical Energy Usage of Hercules Airplanes

PubMed Central

Radmanesh, Hamid; Heidari Yazdi, Seyed Saeid; Gharehpetian, G. B.; Fathi, S. H.

2014-01-01

Dynamics of proton exchange membrane fuel cells (PEMFC) with hydrogen storage system for generating part of Hercules airplanes electrical energy is presented. Feasibility of using fuel cell (FC) for this airplane is evaluated by means of simulations. Temperature change and dual layer capacity effect are considered in all simulations. Using a three-level 3-phase inverter, FC's output voltage is connected to the essential bus of the airplane. Moreover, it is possible to connect FC's output voltage to airplane DC bus alternatively. PID controller is presented to control flow of hydrogen and oxygen to FC and improve transient and steady state responses of the output voltage to load disturbances. FC's output voltage is regulated via an ultracapacitor. Simulations are carried out via MATLAB/SIMULINK and results show that the load tracking and output voltage regulation are acceptable. The proposed system utilizes an electrolyser to generate hydrogen and a tank for storage. Therefore, there is no need for batteries. Moreover, the generated oxygen could be used in other applications in airplane. PMID:24782664

The effect of dense gas dynamics on loss in ORC transonic turbines

NASA Astrophysics Data System (ADS)

Durá Galiana, FJ; Wheeler, APS; Ong, J.; Ventura, CA de M.

2017-03-01

This paper describes a number of recent investigations into the effect of dense gas dynamics on ORC transonic turbine performance. We describe a combination of experimental, analytical and computational studies which are used to determine how, in-particular, trailing-edge loss changes with choice of working fluid. A Ludwieg tube transient wind-tunnel is used to simulate a supersonic base flow which mimics an ORC turbine vane trailing-edge flow. Experimental measurements of wake profiles and trailing-edge base pressure with different working fluids are used to validate high-order CFD simulations. In order to capture the correct mixing in the base region, Large-Eddy Simulations (LES) are performed and verified against the experimental data by comparing the LES with different spatial and temporal resolutions. RANS and Detached-Eddy Simulation (DES) are also compared with experimental data. The effect of different modelling methods and working fluid on mixed-out loss is then determined. Current results point at LES predicting the closest agreement with experimental results, and dense gas effects are consistently predicted to increase loss.

Sensitivity analysis of reactive ecological dynamics.

PubMed

Verdy, Ariane; Caswell, Hal

2008-08-01

Ecological systems with asymptotically stable equilibria may exhibit significant transient dynamics following perturbations. In some cases, these transient dynamics include the possibility of excursions away from the equilibrium before the eventual return; systems that exhibit such amplification of perturbations are called reactive. Reactivity is a common property of ecological systems, and the amplification can be large and long-lasting. The transient response of a reactive ecosystem depends on the parameters of the underlying model. To investigate this dependence, we develop sensitivity analyses for indices of transient dynamics (reactivity, the amplification envelope, and the optimal perturbation) in both continuous- and discrete-time models written in matrix form. The sensitivity calculations require expressions, some of them new, for the derivatives of equilibria, eigenvalues, singular values, and singular vectors, obtained using matrix calculus. Sensitivity analysis provides a quantitative framework for investigating the mechanisms leading to transient growth. We apply the methodology to a predator-prey model and a size-structured food web model. The results suggest predator-driven and prey-driven mechanisms for transient amplification resulting from multispecies interactions.

Analytical and computational studies on the vacuum performance of a chevron ejector

NASA Astrophysics Data System (ADS)

Kong, F. S.; Jin, Y. Z.; Kim, H. D.

2016-11-01

The effects of chevrons on the performance of a supersonic vacuum ejector-diffuser system are investigated numerically and evaluated theoretically in this work. A three-dimensional geometrical domain is numerically solved using a fully implicit finite volume scheme based on the unsteady Reynolds stress model. A one-dimensional mathematical model provides a useful tool to reveal the steady flow physics inside the vacuum ejector-diffuser system. The effects of the chevron nozzle on the generation of recirculation regions and Reynolds stress behaviors are studied and compared with those of a conventional convergent nozzle. The present performance parameters obtained from the simulated results and the mathematical results are validated with existing experimental data and show good agreement. Primary results show that the duration of the transient period and the secondary chamber pressure at a dynamic equilibrium state depend strongly on the primary jet conditions, such as inlet pressure and primary nozzle shape. Complicated oscillatory flow, generated by the unsteady movement of recirculation, finally settles into a dynamic equilibrium state. As a vortex generator, the chevron demonstrated its strong entrainment capacity to accelerate the starting transient flows to a certain extent and reduce the dynamic equilibrium pressure of the secondary chamber significantly.

Superresolution imaging reveals activity-dependent plasticity of axon morphology linked to changes in action potential conduction velocity.

PubMed

Chéreau, Ronan; Saraceno, G Ezequiel; Angibaud, Julie; Cattaert, Daniel; Nägerl, U Valentin

2017-02-07

Axons convey information to nearby and distant cells, and the time it takes for action potentials (APs) to reach their targets governs the timing of information transfer in neural circuits. In the unmyelinated axons of hippocampus, the conduction speed of APs depends crucially on axon diameters, which vary widely. However, it is not known whether axon diameters are dynamic and regulated by activity-dependent mechanisms. Using time-lapse superresolution microscopy in brain slices, we report that axons grow wider after high-frequency AP firing: synaptic boutons undergo a rapid enlargement, which is mostly transient, whereas axon shafts show a more delayed and progressive increase in diameter. Simulations of AP propagation incorporating these morphological dynamics predicted bidirectional effects on AP conduction speed. The predictions were confirmed by electrophysiological experiments, revealing a phase of slowed down AP conduction, which is linked to the transient enlargement of the synaptic boutons, followed by a sustained increase in conduction speed that accompanies the axon shaft widening induced by high-frequency AP firing. Taken together, our study outlines a morphological plasticity mechanism for dynamically fine-tuning AP conduction velocity, which potentially has wide implications for the temporal transfer of information in the brain.

Ligand diffusion in proteins via enhanced sampling in molecular dynamics.

PubMed

Rydzewski, J; Nowak, W

2017-12-01

Computational simulations in biophysics describe the dynamics and functions of biological macromolecules at the atomic level. Among motions particularly important for life are the transport processes in heterogeneous media. The process of ligand diffusion inside proteins is an example of a complex rare event that can be modeled using molecular dynamics simulations. The study of physical interactions between a ligand and its biological target is of paramount importance for the design of novel drugs and enzymes. Unfortunately, the process of ligand diffusion is difficult to study experimentally. The need for identifying the ligand egress pathways and understanding how ligands migrate through protein tunnels has spurred the development of several methodological approaches to this problem. The complex topology of protein channels and the transient nature of the ligand passage pose difficulties in the modeling of the ligand entry/escape pathways by canonical molecular dynamics simulations. In this review, we report a methodology involving a reconstruction of the ligand diffusion reaction coordinates and the free-energy profiles along these reaction coordinates using enhanced sampling of conformational space. We illustrate the above methods on several ligand-protein systems, including cytochromes and G-protein-coupled receptors. The methods are general and may be adopted to other transport processes in living matter. Copyright © 2017 Elsevier B.V. All rights reserved.

A physical framework for implementing virtual models of intracranial pressure and cerebrospinal fluid dynamics in hydrocephalus shunt testing.

PubMed

Venkataraman, Pranav; Browd, Samuel R; Lutz, Barry R

2016-09-01

OBJECTIVE The surgical placement of a shunt designed to resolve the brain's impaired ability to drain excess CSF is one of the most common treatments for hydrocephalus. The use of a dynamic testing platform is an important part of shunt testing that can faithfully reproduce the physiological environment of the implanted shunts. METHODS A simulation-based framework that serves as a proof of concept for enabling the application of virtual intracranial pressure (ICP) and CSF models to a physical shunt-testing system was engineered. This was achieved by designing hardware and software that enabled the application of dynamic model-driven inlet and outlet pressures to a shunt and the subsequent measurement of the resulting drainage rate. RESULTS A set of common physiological scenarios was simulated, including oscillations in ICP due to respiratory and cardiac cycles, changes in baseline ICP due to changes in patient posture, and transient ICP spikes caused by activities such as exercise, coughing, sneezing, and the Valsalva maneuver. The behavior of the Strata valve under a few of these physiological conditions is also demonstrated. CONCLUSIONS Testing shunts with dynamic ICP and CSF simulations can facilitate the optimization of shunts to be more failure resistant and better suited to patient physiology.

Research on the water-entry attitude of a submersible aircraft.

PubMed

Xu, BaoWei; Li, YongLi; Feng, JinFu; Hu, JunHua; Qi, Duo; Yang, Jian

2016-01-01

The water entry of a submersible aircraft, which is transient, highly coupled, and nonlinear, is complicated. After analyzing the mechanics of this process, the change rate of every variable is considered. A dynamic model is build and employed to study vehicle attitude and overturn phenomenon during water entry. Experiments are carried out and a method to organize experiment data is proposed. The accuracy of the method is confirmed by comparing the results of simulation of dynamic model and experiment under the same condition. Based on the analysis of the experiment and simulation, the initial attack angle and angular velocity largely influence the water entry of vehicle. Simulations of water entry with different initial and angular velocities are completed, followed by an analysis, and the motion law of vehicle is obtained. To solve the problem of vehicle stability and control during water entry, an approach is proposed by which the vehicle sails with a zero attack angle after entering water by controlling the initial angular velocity. With the dynamic model and optimization research algorithm, calculation is performed, and the optimal initial angular velocity of water-entry is obtained. The outcome of simulations confirms that the effectiveness of the propose approach by which the initial water-entry angular velocity is controlled.

Long-timescale molecular dynamics simulations elucidate the dynamics and kinetics of exposure of the hydrophobic patch in troponin C.

PubMed

Lindert, Steffen; Kekenes-Huskey, Peter M; McCammon, J Andrew

2012-10-17

Troponin (Tn) is an important regulatory protein in the thin-filament complex of cardiomyocytes. Calcium binding to the troponin C (TnC) subunit causes a change in its dynamics that leads to the transient opening of a hydrophobic patch on TnC's surface, to which a helix of another subunit, troponin I (TnI), binds. This process initiates contraction, making it an important target for studies investigating the detailed molecular processes that underlie contraction. Here we use microsecond-timescale Anton molecular dynamics simulations to investigate the dynamics and kinetics of the opening transition of the TnC hydrophobic patch. Free-energy differences for opening are calculated for wild-type Ca(2+)-bound TnC (∼8 kcal/mol), V44Q Ca(2+)-bound TnC (3.2 kcal/mol), E40A Ca(2+)-bound TnC (∼12 kcal/mol), and wild-type apo TnC (∼20 kcal/mol). These results suggest that the mutations have a profound impact on the frequency with which the hydrophobic patch presents to TnI. In addition, these simulations corroborate that cardiac wild-type TnC does not open on timescales relevant to contraction without calcium being bound. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Coincidental match of numerical simulation and physics

NASA Astrophysics Data System (ADS)

Pierre, B.; Gudmundsson, J. S.

2010-08-01

Consequences of rapid pressure transients in pipelines range from increased fatigue to leakages and to complete ruptures of pipeline. Therefore, accurate predictions of rapid pressure transients in pipelines using numerical simulations are critical. State of the art modelling of pressure transient in general, and water hammer in particular include unsteady friction in addition to the steady frictional pressure drop, and numerical simulations rely on the method of characteristics. Comparison of rapid pressure transient calculations by the method of characteristics and a selected high resolution finite volume method highlights issues related to modelling of pressure waves and illustrates that matches between numerical simulations and physics are purely coincidental.

Total Transfer Capability Assessment Incorporating Corrective Controls for Transient Stability using TSCOPF

NASA Astrophysics Data System (ADS)

Hakim, Lukmanul; Kubokawa, Junji; Yorino, Naoto; Zoka, Yoshifumi; Sasaki, Yutaka

Advancements have been made towards inclusion of both static and dynamic security into transfer capability calculation. However, to the authors' knowledge, work on considering corrective controls into the calculation has not been reported yet. Therefore, we propose a Total Transfer Capability (TTC) assessment considering transient stability corrective controls. The method is based on the Newton interior point method for nonlinear programming and transfer capability is approached as a maximization of power transfer with both static and transient stability constraints are incorporated into our Transient Stability Constrained Optimal Power Flow (TSCOPF) formulation. An interconnected power system is simulated to be subjected to a severe unbalanced 3-phase 4-line to ground fault and following the fault, generator and load are shed in a pre-defined sequence to mimic actual corrective controls. In a deregulated electricity market, both generator companies and large load customers are encouraged to actively participate in maintaining power system stability as corrective controls upon agreement of compensation for being shed following a disturbance. Implementation of this proposal on the actual power system operation should be carried out through combining it with the existing transient stabilization controller system. Utilization of these corrective controls results in increasing TTC as suggested in our numerical simulation. As Lagrange multipliers can also describe sensitivity of both inequality and equality constraints to the objective function, then selection of which generator or load to be shed can be carried out on the basis of values of Lagrange multipliers of its respective generator's rotor angle stability and active power balance equation. Hence, the proposal in this paper can be utilized by system operator to assess the maximum TTC for specific loads and network conditions.

Dynamic security contingency screening and ranking using neural networks.

PubMed

Mansour, Y; Vaahedi, E; El-Sharkawi, M A

1997-01-01

This paper summarizes BC Hydro's experience in applying neural networks to dynamic security contingency screening and ranking. The idea is to use the information on the prevailing operating condition and directly provide contingency screening and ranking using a trained neural network. To train the two neural networks for the large scale systems of BC Hydro and Hydro Quebec, in total 1691 detailed transient stability simulation were conducted, 1158 for BC Hydro system and 533 for the Hydro Quebec system. The simulation program was equipped with the energy margin calculation module (second kick) to measure the energy margin in each run. The first set of results showed poor performance for the neural networks in assessing the dynamic security. However a number of corrective measures improved the results significantly. These corrective measures included: 1) the effectiveness of output; 2) the number of outputs; 3) the type of features (static versus dynamic); 4) the number of features; 5) system partitioning; and 6) the ratio of training samples to features. The final results obtained using the large scale systems of BC Hydro and Hydro Quebec demonstrates a good potential for neural network in dynamic security assessment contingency screening and ranking.

High-Resolution Numerical Simulation and Analysis of Mach Reflection Structures in Detonation Waves in Low-Pressure H 2 –O 2 –Ar Mixtures: A Summary of Results Obtained with the Adaptive Mesh Refinement Framework AMROC

DOE PAGES

Deiterding, Ralf

2011-01-01

Numerical simulation can be key to the understanding of the multidimensional nature of transient detonation waves. However, the accurate approximation of realistic detonations is demanding as a wide range of scales needs to be resolved. This paper describes a successful solution strategy that utilizes logically rectangular dynamically adaptive meshes. The hydrodynamic transport scheme and the treatment of the nonequilibrium reaction terms are sketched. A ghost fluid approach is integrated into the method to allow for embedded geometrically complex boundaries. Large-scale parallel simulations of unstable detonation structures of Chapman-Jouguet detonations in low-pressure hydrogen-oxygen-argon mixtures demonstrate the efficiency of the described techniquesmore » in practice. In particular, computations of regular cellular structures in two and three space dimensions and their development under transient conditions, that is, under diffraction and for propagation through bends are presented. Some of the observed patterns are classified by shock polar analysis, and a diagram of the transition boundaries between possible Mach reflection structures is constructed.« less

Critical Role of Transient Activity of MT1-MMP for ECM Degradation in Invadopodia

PubMed Central

Watanabe, Ayako; Hosino, Daisuke; Koshikawa, Naohiko; Seiki, Motoharu; Suzuki, Takashi; Ichikawa, Kazuhisa

2013-01-01

Focal degradation of extracellular matrix (ECM) is the first step in the invasion of cancer cells. MT1-MMP is a potent membrane proteinase employed by aggressive cancer cells. In our previous study, we reported that MT1-MMP was preferentially located at membrane protrusions called invadopodia, where MT1-MMP underwent quick turnover. Our computer simulation and experiments showed that this quick turnover was essential for the degradation of ECM at invadopodia (Hoshino, D., et al., (2012) PLoS Comp. Biol., 8: e1002479). Here we report on characterization and analysis of the ECM-degrading activity of MT1-MMP, aiming at elucidating a possible reason for its repetitive insertion in the ECM degradation. First, in our computational model, we found a very narrow transient peak in the activity of MT1-MMP followed by steady state activity. This transient activity was due to the inhibition by TIMP-2, and the steady state activity of MT1-MMP decreased dramatically at higher TIMP-2 concentrations. Second, we evaluated the role of the narrow transient activity in the ECM degradation. When the transient activity was forcibly suppressed in computer simulations, the ECM degradation was heavily suppressed, indicating the essential role of this transient peak in the ECM degradation. Third, we compared continuous and pulsatile turnover of MT1-MMP in the ECM degradation at invadopodia. The pulsatile insertion showed basically consistent results with the continuous insertion in the ECM degradation, and the ECM degrading efficacy depended heavily on the transient activity of MT1-MMP in both models. Unexpectedly, however, low-frequency/high-concentration insertion of MT1-MMP was more effective in ECM degradation than high-frequency/low-concentration pulsatile insertion even if the time-averaged amount of inserted MT1-MMP was the same. The present analysis and characterization of ECM degradation by MT1-MMP together with our previous report indicate a dynamic nature of MT1-MMP at invadopodia and the importance of its transient peak in the degradation of the ECM. PMID:23737743

Very long transients, irregular firing, and chaotic dynamics in networks of randomly connected inhibitory integrate-and-fire neurons.

PubMed

Zillmer, Rüdiger; Brunel, Nicolas; Hansel, David

2009-03-01

We present results of an extensive numerical study of the dynamics of networks of integrate-and-fire neurons connected randomly through inhibitory interactions. We first consider delayed interactions with infinitely fast rise and decay. Depending on the parameters, the network displays transients which are short or exponentially long in the network size. At the end of these transients, the dynamics settle on a periodic attractor. If the number of connections per neuron is large ( approximately 1000) , this attractor is a cluster state with a short period. In contrast, if the number of connections per neuron is small ( approximately 100) , the attractor has complex dynamics and very long period. During the long transients the neurons fire in a highly irregular manner. They can be viewed as quasistationary states in which, depending on the coupling strength, the pattern of activity is asynchronous or displays population oscillations. In the first case, the average firing rates and the variability of the single-neuron activity are well described by a mean-field theory valid in the thermodynamic limit. Bifurcations of the long transient dynamics from asynchronous to synchronous activity are also well predicted by this theory. The transient dynamics display features reminiscent of stable chaos. In particular, despite being linearly stable, the trajectories of the transient dynamics are destabilized by finite perturbations as small as O(1/N) . We further show that stable chaos is also observed for postsynaptic currents with finite decay time. However, we report in this type of network that chaotic dynamics characterized by positive Lyapunov exponents can also be observed. We show in fact that chaos occurs when the decay time of the synaptic currents is long compared to the synaptic delay, provided that the network is sufficiently large.

Large liquid rocket engine transient performance simulation system

NASA Technical Reports Server (NTRS)

Mason, J. R.; Southwick, R. D.

1991-01-01

A simulation system, ROCETS, was designed and developed to allow cost-effective computer predictions of liquid rocket engine transient performance. The system allows a user to generate a simulation of any rocket engine configuration using component modules stored in a library through high-level input commands. The system library currently contains 24 component modules, 57 sub-modules and maps, and 33 system routines and utilities. FORTRAN models from other sources can be operated in the system upon inclusion of interface information on comment cards. Operation of the simulation is simplified for the user by run, execution, and output processors. The simulation system makes available steady-state trim balance, transient operation, and linear partial generation. The system utilizes a modern equation solver for efficient operation of the simulations. Transient integration methods include integral and differential forms for the trapezoidal, first order Gear, and second order Gear corrector equations. A detailed technology test bed engine (TTBE) model was generated to be used as the acceptance test of the simulation system. The general level of model detail was that reflected in the Space Shuttle Main Engine DTM. The model successfully obtained steady-state balance in main stage operation and simulated throttle transients, including engine starts and shutdown. A NASA FORTRAN control model was obtained, ROCETS interface installed in comment cards, and operated with the TTBE model in closed-loop transient mode.

Single polymer dynamics under large amplitude oscillatory extension

NASA Astrophysics Data System (ADS)

Zhou, Yuecheng; Schroeder, Charles M.

2016-09-01

Understanding the conformational dynamics of polymers in time-dependent flows is of key importance for controlling materials properties during processing. Despite this importance, however, it has been challenging to study polymer dynamics in controlled time-dependent or oscillatory extensional flows. In this work, we study the dynamics of single polymers in large-amplitude oscillatory extension (LAOE) using a combination of experiments and Brownian dynamics (BD) simulations. Two-dimensional LAOE flow is generated using a feedback-controlled stagnation point device known as the Stokes trap, thereby generating an oscillatory planar extensional flow with alternating principal axes of extension and compression. Our results show that polymers experience periodic cycles of compression, reorientation, and extension in LAOE, and dynamics are generally governed by a dimensionless flow strength (Weissenberg number Wi) and dimensionless frequency (Deborah number De). Single molecule experiments are compared to BD simulations with and without intramolecular hydrodynamic interactions (HI) and excluded volume (EV) interactions, and good agreement is obtained across a range of parameters. Moreover, transient bulk stress in LAOE is determined from simulations using the Kramers relation, which reveals interesting and unique rheological signatures for this time-dependent flow. We further construct a series of single polymer stretch-flow rate curves (defined as single molecule Lissajous curves) as a function of Wi and De, and we observe qualitatively different dynamic signatures (butterfly, bow tie, arch, and line shapes) across the two-dimensional Pipkin space defined by Wi and De. Finally, polymer dynamics spanning from the linear to nonlinear response regimes are interpreted in the context of accumulated fluid strain in LAOE.

Application of Probability Methods to Assess Crash Modeling Uncertainty

NASA Technical Reports Server (NTRS)

Lyle, Karen H.; Stockwell, Alan E.; Hardy, Robin C.

2003-01-01

Full-scale aircraft crash simulations performed with nonlinear, transient dynamic, finite element codes can incorporate structural complexities such as: geometrically accurate models; human occupant models; and advanced material models to include nonlinear stress-strain behaviors, and material failure. Validation of these crash simulations is difficult due to a lack of sufficient information to adequately determine the uncertainty in the experimental data and the appropriateness of modeling assumptions. This paper evaluates probabilistic approaches to quantify the effects of finite element modeling assumptions on the predicted responses. The vertical drop test of a Fokker F28 fuselage section will be the focus of this paper. The results of a probabilistic analysis using finite element simulations will be compared with experimental data.

Application of Probability Methods to Assess Crash Modeling Uncertainty

NASA Technical Reports Server (NTRS)

Lyle, Karen H.; Stockwell, Alan E.; Hardy, Robin C.

2007-01-01

Full-scale aircraft crash simulations performed with nonlinear, transient dynamic, finite element codes can incorporate structural complexities such as: geometrically accurate models; human occupant models; and advanced material models to include nonlinear stress-strain behaviors, and material failure. Validation of these crash simulations is difficult due to a lack of sufficient information to adequately determine the uncertainty in the experimental data and the appropriateness of modeling assumptions. This paper evaluates probabilistic approaches to quantify the effects of finite element modeling assumptions on the predicted responses. The vertical drop test of a Fokker F28 fuselage section will be the focus of this paper. The results of a probabilistic analysis using finite element simulations will be compared with experimental data.

Study of the Time Response of a Simulated Hydroelectric System

NASA Astrophysics Data System (ADS)

Simani, S.; Alvisi, S.; Venturini, M.

2014-12-01

This paper addresses the design of an advanced control strategy for a typical hydroelectric dynamic process, performed in the Matlab and Simulink environments. The hydraulic system consists of a high water head and a long penstock with upstream and downstream surge tanks, and is equipped with a Francis turbine. The nonlinear characteristics of hydraulic turbine and the inelastic water hammer effects were considered to calculate and simulate the hydraulic transients. With reference to the control solution, the proposed methodology relies on an adaptive control designed by means of the on-line identification of the system model under monitoring. Extensive simulations and comparison with respect to a classic hydraulic turbine speed PID regulator show the effectiveness of the proposed modelling and control tools.

Damage-mitigating control of space propulsion systems for high performance and extended life

NASA Technical Reports Server (NTRS)

Ray, Asok; Wu, Min-Kuang; Dai, Xiaowen; Carpino, Marc; Lorenzo, Carl F.

1993-01-01

Calculations are presented showing that a substantial improvement in service life of a reusable rocket engine can be achieved by an insignificant reduction in the system dynamic performance. The paper introduces the concept of damage mitigation and formulates a continuous-time model of fatigue damage dynamics. For control of complex mechanical systems, damage prediction and damage mitigation are carried out based on the available sensory and operational information such that the plant can be inexpensively maintained and safely and efficiently steered under diverse operating conditions. The results of simulation experiments are presented for transient operations of a reusable rocket engine.

Ultrafast core-loss spectroscopy in four-dimensional electron microscopy

PubMed Central

van der Veen, Renske M.; Penfold, Thomas J.; Zewail, Ahmed H.

2015-01-01

We demonstrate ultrafast core-electron energy-loss spectroscopy in four-dimensional electron microscopy as an element-specific probe of nanoscale dynamics. We apply it to the study of photoexcited graphite with femtosecond and nanosecond resolutions. The transient core-loss spectra, in combination with ab initio molecular dynamics simulations, reveal the elongation of the carbon-carbon bonds, even though the overall behavior is a contraction of the crystal lattice. A prompt energy-gap shrinkage is observed on the picosecond time scale, which is caused by local bond length elongation and the direct renormalization of band energies due to temperature-dependent electron–phonon interactions. PMID:26798793

Low temperature exciton dynamics and structural changes in perylene bisimide aggregates

NASA Astrophysics Data System (ADS)

Wolter, Steffen; Magnus Westphal, Karl; Hempel, Magdalena; Würthner, Frank; Kühn, Oliver; Lochbrunner, Stefan

2017-09-01

The temperature dependent exciton dynamics of J-aggregates formed by a perylene bisimide dye is investigated down to liquid nitrogen temperature (77 K) by femtosecond pump-probe spectroscopy. The analysis of the transient absorption data using a diffusion model for the excitons does not only reveal an overall decrease of the exciton mobility, but also a change in the dimensionality of the exciton transport at low temperatures. This change in dimensionality is further investigated by kinetic Monte Carlo simulations, identifying weakly interlinked one-dimensional aggregate chains as the most likely structure at low temperatures. This causes the exciton transport to be highly anisotropic.

On the Use of Material-Dependent Damping in ANSYS for Mode Superposition Transient Analysis

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

Nie, J.; Wei, X.

The mode superposition method is often used for dynamic analysis of complex structures, such as the seismic Category I structures in nuclear power plants, in place of the less efficient full method, which uses the full system matrices for calculation of the transient responses. In such applications, specification of material-dependent damping is usually desirable because complex structures can consist of multiple types of materials that may have different energy dissipation capabilities. A recent review of the ANSYS manual for several releases found that the use of material-dependent damping is not clearly explained for performing a mode superposition transient dynamic analysis.more » This paper includes several mode superposition transient dynamic analyses using different ways to specify damping in ANSYS, in order to determine how material-dependent damping can be specified conveniently in a mode superposition transient dynamic analysis.« less

Development and Validation of Computational Fluid Dynamics Models for Prediction of Heat Transfer and Thermal Microenvironments of Corals

PubMed Central

Ong, Robert H.; King, Andrew J. C.; Mullins, Benjamin J.; Cooper, Timothy F.; Caley, M. Julian

2012-01-01

We present Computational Fluid Dynamics (CFD) models of the coupled dynamics of water flow, heat transfer and irradiance in and around corals to predict temperatures experienced by corals. These models were validated against controlled laboratory experiments, under constant and transient irradiance, for hemispherical and branching corals. Our CFD models agree very well with experimental studies. A linear relationship between irradiance and coral surface warming was evident in both the simulation and experimental result agreeing with heat transfer theory. However, CFD models for the steady state simulation produced a better fit to the linear relationship than the experimental data, likely due to experimental error in the empirical measurements. The consistency of our modelling results with experimental observations demonstrates the applicability of CFD simulations, such as the models developed here, to coral bleaching studies. A study of the influence of coral skeletal porosity and skeletal bulk density on surface warming was also undertaken, demonstrating boundary layer behaviour, and interstitial flow magnitude and temperature profiles in coral cross sections. Our models compliment recent studies showing systematic changes in these parameters in some coral colonies and have utility in the prediction of coral bleaching. PMID:22701582

The dynamic properties behavior of high strength concrete under different strain rate

NASA Astrophysics Data System (ADS)

Abdullah, Hasballah; Husin, Saiful; Umar, Hamdani; Rizal, Samsul

2005-04-01

This paper present a number experimental data and numerical technique used in the dynamic behavior of high strength concrete. A testing device is presented for the experimental study of dynamic behavior material under high strain rates. The specimen is loaded by means of a high carbon steel Hopkinson pressure bar (40 mm diameter, 3000 mm long input bar and 1500 mm long out put bar) allowing for the testing of specimen diameter is large enough in relation to the size of aggregates. The other method also proposed for measuring tensile strength, the measurement method based on the superposition and concentration of tensile stress wave reflected both from the free-free ends of striking bar and the specimen bar. The compression Hopkinson bar test, the impact tensile test of high strength concrete bars are performed, together with compression static strength test. In addition, the relation between break position under finite element simulation and impact tensile strength are examined. The three-dimensional simulation of the specimen under transient loading are presented and comparisons between the experimental and numerical simulation on strain rate effects of constitutive law use in experimental are study.

Dynamic characteristics of a 20 kHz resonant power system - Fault identification and fault recovery

NASA Technical Reports Server (NTRS)

Wasynczuk, O.

1988-01-01

A detailed simulation of a dc inductor resonant driver and receiver is used to demonstrate the transient characteristics of a 20 kHz resonant power system during fault and overload conditions. The simulated system consists of a dc inductor resonant inverter (driver), a 50-meter transmission cable, and a dc inductor resonant receiver load. Of particular interest are the driver and receiver performance during fault and overload conditions and on the recovery characteristics following removal of the fault. The information gained from these studies sets the stage for further work in fault identification and autonomous power system control.

Conductivity of molten sodium chloride in an arbitrarily weak dc electric field.

PubMed

Delhommelle, Jerome; Cummings, Peter T; Petravic, Janka

2005-09-15

We use nonequilibrium molecular-dynamics (NEMD) simulations to characterize the response of a fluid subjected to an electric field. We focus on the response for very weak fields. Fields accessible by conventional NEMD methods are typically of the order of 10(9) V m(-1), i.e., several orders of magnitude larger than those typically used in experiments. Using the transient time-correlation function, we show how NEMD simulations can be extended to study systems subjected to a realistic dc electric field. We then apply this approach to study the response of molten sodium chloride for a wide range of dc electric fields.

Evidence for out-of-equilibrium states in warm dense matter probed by x-ray Thomson scattering.

PubMed

Clérouin, Jean; Robert, Grégory; Arnault, Philippe; Ticknor, Christopher; Kress, Joel D; Collins, Lee A

2015-01-01

A recent and unexpected discrepancy between ab initio simulations and the interpretation of a laser shock experiment on aluminum, probed by x-ray Thomson scattering (XRTS), is addressed. The ion-ion structure factor deduced from the XRTS elastic peak (ion feature) is only compatible with a strongly coupled out-of-equilibrium state. Orbital free molecular dynamics simulations with ions colder than the electrons are employed to interpret the experiment. The relevance of decoupled temperatures for ions and electrons is discussed. The possibility that it mimics a transient, or metastable, out-of-equilibrium state after melting is also suggested.

Study on the tumor-induced angiogenesis using mathematical models.

PubMed

Suzuki, Takashi; Minerva, Dhisa; Nishiyama, Koichi; Koshikawa, Naohiko; Chaplain, Mark Andrew Joseph

2018-01-01

We studied angiogenesis using mathematical models describing the dynamics of tip cells. We reviewed the basic ideas of angiogenesis models and its numerical simulation technique to produce realistic computer graphics images of sprouting angiogenesis. We examined the classical model of Anderson-Chaplain using fundamental concepts of mass transport and chemical reaction with ECM degradation included. We then constructed two types of numerical schemes, model-faithful and model-driven ones, where new techniques of numerical simulation are introduced, such as transient probability, particle velocity, and Boolean variables. © 2017 The Authors. Cancer Science published by John Wiley & Sons Australia, Ltd on behalf of Japanese Cancer Association.

Overview of SPH-ALE applications for hydraulic turbines in ANDRITZ Hydro

NASA Astrophysics Data System (ADS)

Rentschler, M.; Marongiu, J. C.; Neuhauser, M.; Parkinson, E.

2018-02-01

Over the past 13 years, ANDRITZ Hydro has developed an in-house tool based on the SPH-ALE method for applications in flow simulations in hydraulic turbines. The initial motivation is related to the challenging simulation of free surface flows in Pelton turbines, where highly dynamic water jets interact with rotating buckets, creating thin water jets traveling inside the housing and possibly causing disturbances on the runner. The present paper proposes an overview of industrial applications allowed by the developed tool, including design evaluation of Pelton runners and casings, transient operation of Pelton units and free surface flows in hydraulic structures.

Pre-test analysis of protected loss of primary pump transients in CIRCE-HERO facility

NASA Astrophysics Data System (ADS)

Narcisi, V.; Giannetti, F.; Del Nevo, A.; Tarantino, M.; Caruso, G.

2017-11-01

In the frame of LEADER project (Lead-cooled European Advanced Demonstration Reactor), a new configuration of the steam generator for ALFRED (Advanced Lead Fast Reactor European Demonstrator) was proposed. The new concept is a super-heated steam generator, double wall bayonet tube type with leakage monitoring [1]. In order to support the new steam generator concept, in the framework of Horizon 2020 SESAME project (thermal hydraulics Simulations and Experiments for the Safety Assessment of MEtal cooled reactors), the ENEA CIRCE pool facility will be refurbished to host the HERO (Heavy liquid mEtal pRessurized water cOoled tubes) test section to investigate a bundle of seven full scale bayonet tubes in ALFRED-like thermal hydraulics conditions. The aim of this work is to verify thermo-fluid dynamic performance of HERO during the transition from nominal to natural circulation condition. The simulations have been performed with RELAP5-3D© by using the validated geometrical model of the previous CIRCE-ICE test section [2], in which the preceding heat exchanger has been replaced by the new bayonet bundle model. Several calculations have been carried out to identify thermal hydraulics performance in different steady state conditions. The previous calculations represent the starting points of transient tests aimed at investigating the operation in natural circulation. The transient tests consist of the protected loss of primary pump, obtained by reducing feed-water mass flow to simulate the activation of DHR (Decay Heat Removal) system, and of the loss of DHR function in hot conditions, where feed-water mass flow rate is absent. According to simulations, in nominal conditions, HERO bayonet bundle offers excellent thermal hydraulic behavior and, moreover, it allows the operation in natural circulation.

Simulation of the transient processes of load rejection under different accident conditions in a hydroelectric generating set

NASA Astrophysics Data System (ADS)

Guo, W. C.; Yang, J. D.; Chen, J. P.; Peng, Z. Y.; Zhang, Y.; Chen, C. C.

2016-11-01

Load rejection test is one of the essential tests that carried out before the hydroelectric generating set is put into operation formally. The test aims at inspecting the rationality of the design of the water diversion and power generation system of hydropower station, reliability of the equipment of generating set and the dynamic characteristics of hydroturbine governing system. Proceeding from different accident conditions of hydroelectric generating set, this paper presents the transient processes of load rejection corresponding to different accident conditions, and elaborates the characteristics of different types of load rejection. Then the numerical simulation method of different types of load rejection is established. An engineering project is calculated to verify the validity of the method. Finally, based on the numerical simulation results, the relationship among the different types of load rejection and their functions on the design of hydropower station and the operation of load rejection test are pointed out. The results indicate that: The load rejection caused by the accident within the hydroelectric generating set is realized by emergency distributing valve, and it is the basis of the optimization for the closing law of guide vane and the calculation of regulation and guarantee. The load rejection caused by the accident outside the hydroelectric generating set is realized by the governor. It is the most efficient measure to inspect the dynamic characteristics of hydro-turbine governing system, and its closure rate of guide vane set in the governor depends on the optimization result in the former type load rejection.

Probing the limits of metal plasticity with molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Zepeda-Ruiz, Luis A.; Stukowski, Alexander; Oppelstrup, Tomas; Bulatov, Vasily V.

2017-10-01

Ordinarily, the strength and plasticity properties of a metal are defined by dislocations--line defects in the crystal lattice whose motion results in material slippage along lattice planes. Dislocation dynamics models are usually used as mesoscale proxies for true atomistic dynamics, which are computationally expensive to perform routinely. However, atomistic simulations accurately capture every possible mechanism of material response, resolving every ``jiggle and wiggle'' of atomic motion, whereas dislocation dynamics models do not. Here we present fully dynamic atomistic simulations of bulk single-crystal plasticity in the body-centred-cubic metal tantalum. Our goal is to quantify the conditions under which the limits of dislocation-mediated plasticity are reached and to understand what happens to the metal beyond any such limit. In our simulations, the metal is compressed at ultrahigh strain rates along its [001] crystal axis under conditions of constant pressure, temperature and strain rate. To address the complexity of crystal plasticity processes on the length scales (85-340 nm) and timescales (1 ns-1μs) that we examine, we use recently developed methods of in situ computational microscopy to recast the enormous amount of transient trajectory data generated in our simulations into a form that can be analysed by a human. Our simulations predict that, on reaching certain limiting conditions of strain, dislocations alone can no longer relieve mechanical loads; instead, another mechanism, known as deformation twinning (the sudden re-orientation of the crystal lattice), takes over as the dominant mode of dynamic response. Below this limit, the metal assumes a strain-path-independent steady state of plastic flow in which the flow stress and the dislocation density remain constant as long as the conditions of straining thereafter remain unchanged. In this distinct state, tantalum flows like a viscous fluid while retaining its crystal lattice and remaining a strong and stiff metal.

Sensitivity analysis of conservative and reactive stream transient storage models applied to field data from multiple-reach experiments

USGS Publications Warehouse

Gooseff, M.N.; Bencala, K.E.; Scott, D.T.; Runkel, R.L.; McKnight, Diane M.

2005-01-01

The transient storage model (TSM) has been widely used in studies of stream solute transport and fate, with an increasing emphasis on reactive solute transport. In this study we perform sensitivity analyses of a conservative TSM and two different reactive solute transport models (RSTM), one that includes first-order decay in the stream and the storage zone, and a second that considers sorption of a reactive solute on streambed sediments. Two previously analyzed data sets are examined with a focus on the reliability of these RSTMs in characterizing stream and storage zone solute reactions. Sensitivities of simulations to parameters within and among reaches, parameter coefficients of variation, and correlation coefficients are computed and analyzed. Our results indicate that (1) simulated values have the greatest sensitivity to parameters within the same reach, (2) simulated values are also sensitive to parameters in reaches immediately upstream and downstream (inter-reach sensitivity), (3) simulated values have decreasing sensitivity to parameters in reaches farther downstream, and (4) in-stream reactive solute data provide adequate data to resolve effective storage zone reaction parameters, given the model formulations. Simulations of reactive solutes are shown to be equally sensitive to transport parameters and effective reaction parameters of the model, evidence of the control of physical transport on reactive solute dynamics. Similar to conservative transport analysis, reactive solute simulations appear to be most sensitive to data collected during the rising and falling limb of the concentration breakthrough curve. ?? 2005 Elsevier Ltd. All rights reserved.

User's Guide for the Commercial Modular Aero-Propulsion System Simulation (C-MAPSS): Version 2

NASA Technical Reports Server (NTRS)

Liu, Yuan; Frederick, Dean K.; DeCastro, Jonathan A.; Litt, Jonathan S.; Chan, William W.

2012-01-01

This report is a Users Guide for version 2 of the NASA-developed Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) software, which is a transient simulation of a large commercial turbofan engine (up to 90,000-lb thrust) with a realistic engine control system. The software supports easy access to health, control, and engine parameters through a graphical user interface (GUI). C-MAPSS v.2 has some enhancements over the original, including three actuators rather than one, the addition of actuator and sensor dynamics, and an improved controller, while retaining or improving on the convenience and user-friendliness of the original. C-MAPSS v.2 provides the user with a graphical turbofan engine simulation environment in which advanced algorithms can be implemented and tested. C-MAPSS can run user-specified transient simulations, and it can generate state-space linear models of the nonlinear engine model at an operating point. The code has a number of GUI screens that allow point-and-click operation, and have editable fields for user-specified input. The software includes an atmospheric model which allows simulation of engine operation at altitudes from sea level to 40,000 ft, Mach numbers from 0 to 0.90, and ambient temperatures from -60 to 103 F. The package also includes a power-management system that allows the engine to be operated over a wide range of thrust levels throughout the full range of flight conditions.

Influence of local demography on asymptotic and transient dynamics of a yellow-bellied marmot metapopulation.

PubMed

Ozgul, Arpat; Oli, Madan K; Armitage, Kenneth B; Blumstein, Daniel T; Van Vuren, Dirk H

2009-04-01

Despite recent advances in biodemography and metapopulation ecology, we still have limited understanding of how local demographic parameters influence short- and long-term metapopulation dynamics. We used long-term data from 17 local populations, along with the recently developed methods of matrix metapopulation modeling and transient sensitivity analysis, to investigate the influence of local demography on long-term (asymptotic) versus short-term (transient) dynamics of a yellow-bellied marmot metapopulation in Colorado. Both long- and short-term dynamics depended primarily on a few colony sites and were highly sensitive to changes in demography at these sites, particularly in survival of reproductive adult females. Interestingly, the relative importance of sites differed between long- and short-term dynamics; the spatial structure and local population sizes, while insignificant for asymptotic dynamics, were influential on transient dynamics. However, considering the spatial structure was uninformative about the relative influence of local demography on metapopulation dynamics. The vital rates that were the most influential on local dynamics were also the most influential on both long- and short-term metapopulation dynamics. Our results show that an explicit consideration of local demography is essential for a complete understanding of the dynamics and persistence of spatially structured populations.

Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics

PubMed Central

Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott

2015-01-01

We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gradients emerge due to differences in resolution within the total system and are reduced by introducing a pairwise thermodynamic force inside the buffer region between the two domains where particles change from MD to SDPD types. When combined with a multi-resolution SDPD approach, such as the one proposed by Kulkarni et al. [J. Chem. Phys. 138, 234105 (2013)], this method makes it possible to systematically couple atomistic models to arbitrarily coarse continuum domains modeled as SDPD fluids with varying resolution. We test this technique by showing that it correctly reproduces thermodynamic properties across the entire simulation domain for a simple Lennard-Jones fluid. Furthermore, we demonstrate that this approach is also suitable for non-equilibrium problems by applying it to simulations of the start up of shear flow. The robustness of the method is illustrated with two different flow scenarios in which shear forces act in directions parallel and perpendicular to the interface separating the continuum and atomistic domains. In both cases, we obtain the correct transient velocity profile. We also perform a triple-scale shear flow simulation where we include two SDPD regions with different resolutions in addition to a MD domain, illustrating the feasibility of a three-scale coupling. PMID:25637963

Instability and dynamics of volatile thin films

NASA Astrophysics Data System (ADS)

Ji, Hangjie; Witelski, Thomas P.

2018-02-01

Volatile viscous fluids on partially wetting solid substrates can exhibit interesting interfacial instabilities and pattern formation. We study the dynamics of vapor condensation and fluid evaporation governed by a one-sided model in a low-Reynolds-number lubrication approximation incorporating surface tension, intermolecular effects, and evaporative fluxes. Parameter ranges for evaporation-dominated and condensation-dominated regimes and a critical case are identified. Interfacial instabilities driven by the competition between the disjoining pressure and evaporative effects are studied via linear stability analysis. Transient pattern formation in nearly flat evolving films in the critical case is investigated. In the weak evaporation limit unstable modes of finite-amplitude nonuniform steady states lead to rich droplet dynamics, including flattening, symmetry breaking, and droplet merging. Numerical simulations show that long-time behaviors leading to evaporation or condensation are sensitive to transitions between filmwise and dropwise dynamics.

Microscopic mechanism of protein cryopreservation in an aqueous solution with trehalose

PubMed Central

Corradini, Dario; Strekalova, Elena G.; Stanley, H. Eugene; Gallo, Paola

2013-01-01

In order to investigate the cryoprotective mechanism of trehalose on proteins, we use molecular dynamics computer simulations to study the microscopic dynamics of water upon cooling in an aqueous solution of lysozyme and trehalose. We find that the presence of trehalose causes global retardation of the dynamics of water. Comparing aqueous solutions of lysozyme with/without trehalose, we observe that the dynamics of water in the hydration layers close to the protein is dramatically slower when trehalose is present in the system. We also analyze the structure of water and trehalose around the lysozyme and find that the trehalose molecules form a cage surrounding the protein that contains very slow water molecules. We conclude that the transient cage of trehalose molecules that entraps and slows the water molecules prevents the crystallisation of protein hydration water upon cooling. PMID:23390573

Microscopic mechanism of protein cryopreservation in an aqueous solution with trehalose.

PubMed

Corradini, Dario; Strekalova, Elena G; Stanley, H Eugene; Gallo, Paola

2013-01-01

In order to investigate the cryoprotective mechanism of trehalose on proteins, we use molecular dynamics computer simulations to study the microscopic dynamics of water upon cooling in an aqueous solution of lysozyme and trehalose. We find that the presence of trehalose causes global retardation of the dynamics of water. Comparing aqueous solutions of lysozyme with/without trehalose, we observe that the dynamics of water in the hydration layers close to the protein is dramatically slower when trehalose is present in the system. We also analyze the structure of water and trehalose around the lysozyme and find that the trehalose molecules form a cage surrounding the protein that contains very slow water molecules. We conclude that the transient cage of trehalose molecules that entraps and slows the water molecules prevents the crystallisation of protein hydration water upon cooling.

Vibration signature analysis of multistage gear transmission

NASA Technical Reports Server (NTRS)

Choy, F. K.; Tu, Y. K.; Savage, M.; Townsend, D. P.

1989-01-01

An analysis is presented for multistage multimesh gear transmission systems. The analysis predicts the overall system dynamics and the transmissibility to the gear box or the enclosed structure. The modal synthesis approach of the analysis treats the uncoupled lateral/torsional model characteristics of each stage or component independently. The vibration signature analysis evaluates the global dynamics coupling in the system. The method synthesizes the interaction of each modal component or stage with the nonlinear gear mesh dynamics and the modal support geometry characteristics. The analysis simulates transient and steady state vibration events to determine the resulting torque variations, speeds, changes, rotor imbalances, and support gear box motion excitations. A vibration signature analysis examines the overall dynamic characteristics of the system, and the individual model component responses. The gear box vibration analysis also examines the spectral characteristics of the support system.

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

Wang, Jianping, E-mail: jwang@iccas.ac.cn; Yang, Fan; Zhao, Juan

In this work, the structural dynamics of N-ethylpropionamide (NEPA), a model molecule of β-peptides, in four typical solvents (DMSO, CH{sub 3}CN, CHCl{sub 3}, and CCl{sub 4}), were examined using the N—H stretching vibration (or the amide-A mode) as a structural probe. Steady-state and transient infrared spectroscopic methods in combination with quantum chemical computations and molecular dynamics simulations were used. It was found that in these solvents, NEPA exists in different aggregation forms, including monomer, dimer, and oligomers. Hydrogen-bonding interaction and local-solvent environment both affect the amide-A absorption profile and its vibrational relaxation dynamics and also affect the structural dynamics ofmore » NEPA. In particular, a correlation between the red-shifted frequency for the NEPA monomer from nonpolar to polar solvent and the vibrational excitation relaxation rate of the N—H stretching mode was observed.« less

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

NASA Astrophysics Data System (ADS)

Limmer, David T.; Chandler, David

2015-01-01

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

An 8-node tetrahedral finite element suitable for explicit transient dynamic simulations

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

Key, S.W.; Heinstein, M.W.; Stone, C.M.

1997-12-31

Considerable effort has been expended in perfecting the algorithmic properties of 8-node hexahedral finite elements. Today the element is well understood and performs exceptionally well when used in modeling three-dimensional explicit transient dynamic events. However, the automatic generation of all-hexahedral meshes remains an elusive achievement. The alternative of automatic generation for all-tetrahedral finite element is a notoriously poor performer, and the 10-node quadratic tetrahedral finite element while a better performer numerically is computationally expensive. To use the all-tetrahedral mesh generation extant today, the authors have explored the creation of a quality 8-node tetrahedral finite element (a four-node tetrahedral finite elementmore » enriched with four midface nodal points). The derivation of the element`s gradient operator, studies in obtaining a suitable mass lumping and the element`s performance in applications are presented. In particular, they examine the 80node tetrahedral finite element`s behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element only samples constant strain states and, therefore, has 12 hourglass modes. In this regard, it bears similarities to the 8-node, mean-quadrature hexahedral finite element. Given automatic all-tetrahedral meshing, the 8-node, constant-strain tetrahedral finite element is a suitable replacement for the 8-node hexahedral finite element and handbuilt meshes.« less

1D-3D coupling for hydraulic system transient simulations

NASA Astrophysics Data System (ADS)

Wang, Chao; Nilsson, Håkan; Yang, Jiandong; Petit, Olivier

2017-01-01

This work describes a coupling between the 1D method of characteristics (MOC) and the 3D finite volume method of computational fluid dynamics (CFD). The coupling method is applied to compressible flow in hydraulic systems. The MOC code is implemented as a set of boundary conditions in the OpenFOAM open source CFD software. The coupling is realized by two linear equations originating from the characteristics equation and the Riemann constant equation, respectively. The coupling method is validated using three simple water hammer cases and several coupling configurations. The accuracy and robustness are investigated with respect to the mesh size ratio across the interface, and 3D flow features close to the interface. The method is finally applied to the transient flow caused by the closing and opening of a knife valve (gate) in a pipe, where the flow is driven by the difference in free surface elevation between two tanks. A small region surrounding the moving gate is resolved by CFD, using a dynamic mesh library, while the rest of the system is modeled by MOC. Minor losses are included in the 1D region, corresponding to the contraction of the flow from the upstream tank into the pipe, a separate stationary flow regulation valve, and a pipe bend. The results are validated with experimental data. A 1D solution is provided for comparison, using the static gate characteristics obtained from steady-state CFD simulations.

A nonrecursive 'Order N' preconditioned conjugate gradient/range space formulation of MDOF dynamics

NASA Technical Reports Server (NTRS)

Kurdila, A. J.; Menon, R.; Sunkel, John

1991-01-01

This paper addresses the requirements of present-day mechanical system simulations of algorithms that induce parallelism on a fine scale and of transient simulation methods which must be automatically load balancing for a wide collection of system topologies and hardware configurations. To this end, a combination range space/preconditioned conjugage gradient formulation of multidegree-of-freedon dynamics is developed, which, by employing regular ordering of the system connectivity graph, makes it possible to derive an extremely efficient preconditioner from the range space metric (as opposed to the system coefficient matrix). Because of the effectiveness of the preconditioner, the method can achieve performance rates that depend linearly on the number of substructures. The method, termed 'Order N' does not require the assembly of system mass or stiffness matrices, and is therefore amenable to implementation on work stations. Using this method, a 13-substructure model of the Space Station was constructed.

The electronically excited states of LH2 complexes from Rhodopseudomonas acidophila strain 10050 studied by time-resolved spectroscopy and dynamic Monte Carlo simulations. I. Isolated, non-interacting LH2 complexes.

PubMed

Pflock, Tobias J; Oellerich, Silke; Southall, June; Cogdell, Richard J; Ullmann, G Matthias; Köhler, Jürgen

2011-07-21

We have employed time-resolved spectroscopy on the picosecond time scale in combination with dynamic Monte Carlo simulations to investigate the photophysical properties of light-harvesting 2 (LH2) complexes from the purple photosynthetic bacterium Rhodopseudomonas acidophila. The variations of the fluorescence transients were studied as a function of the excitation fluence, the repetition rate of the excitation and the sample preparation conditions. Here we present the results obtained on detergent solubilized LH2 complexes, i.e., avoiding intercomplex interactions, and show that a simple four-state model is sufficient to grasp the experimental observations quantitatively without the need for any free parameters. This approach allows us to obtain a quantitative measure for the singlet-triplet annihilation rate in isolated, noninteracting LH2 complexes.

Collapse for the higher-order nonlinear Schrödinger equation

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

Achilleos, V.; Diamantidis, S.; Frantzeskakis, D. J.

We examine conditions for finite-time collapse of the solutions of the higher-order nonlinear Schr odinger (NLS) equation incorporating third-order dispersion, self-steepening, linear and nonlinear gain and loss, and Raman scattering; this is a system that appears in many physical contexts as a more realistic generalization of the integrable NLS. By using energy arguments, it is found that the collapse dynamics is chiefly controlled by the linear/nonlinear gain/loss strengths. We identify a critical value of the linear gain, separating the possible decay of solutions to the trivial zero-state, from collapse. The numerical simulations, performed for a wide class of initial data,more » are found to be in very good agreement with the analytical results, and reveal long-time stability properties of localized solutions. The role of the higher-order effects to the transient dynamics is also revealed in these simulations.« less

Collapse for the higher-order nonlinear Schrödinger equation

DOE PAGES

Achilleos, V.; Diamantidis, S.; Frantzeskakis, D. J.; ...

2016-02-01

We examine conditions for finite-time collapse of the solutions of the higher-order nonlinear Schr odinger (NLS) equation incorporating third-order dispersion, self-steepening, linear and nonlinear gain and loss, and Raman scattering; this is a system that appears in many physical contexts as a more realistic generalization of the integrable NLS. By using energy arguments, it is found that the collapse dynamics is chiefly controlled by the linear/nonlinear gain/loss strengths. We identify a critical value of the linear gain, separating the possible decay of solutions to the trivial zero-state, from collapse. The numerical simulations, performed for a wide class of initial data,more » are found to be in very good agreement with the analytical results, and reveal long-time stability properties of localized solutions. The role of the higher-order effects to the transient dynamics is also revealed in these simulations.« less

Toward elucidating the heat activation mechanism of the TRPV1 channel gating by molecular dynamics simulation

PubMed Central

Wen, Han; Qin, Feng; Zheng, Wenjun

2016-01-01

As a key cellular sensor, the TRPV1 cation channel undergoes a gating transition from a closed state to an open state in response to various physical and chemical stimuli including noxious heat. Despite years of study, the heat activation mechanism of TRPV1 gating remains enigmatic at the molecular level. Toward elucidating the structural and energetic basis of TRPV1 gating, we have performed molecular dynamics (MD) simulations (with cumulative simulation time of 3 μs), starting from the high-resolution closed and open structures of TRPV1 solved by cryo-electron microscopy. In the closed-state simulations at 30°C, we observed a stably closed channel constricted at the lower gate (near residue I679), while the upper gate (near residues G643 and M644) is dynamic and undergoes flickery opening/closing. In the open-state simulations at 60°C, we found higher conformational variation consistent with a large entropy increase required for the heat activation, and both the lower and upper gates are dynamic with transient opening/closing. Through ensemble-based structural analyses of the closed state vs. the open state, we revealed pronounced closed-to-open conformational changes involving the membrane proximal domain (MPD) linker, the outer pore, and the TRP helix, which are accompanied by breaking/forming of a network of closed/open-state specific hydrogen bonds. By comparing the closed-state simulations at 30°C and 60°C, we observed heat-activated conformational changes in the MPD linker, the outer pore, and the TRP helix that resemble the closed-to-open conformational changes, along with partial formation of the open-state specific hydrogen bonds. Some of the residues involved in the above key hydrogen bonds were validated by previous mutational studies. Taken together, our MD simulations have offered rich structural and dynamic details beyond the static structures of TRPV1, and promising targets for future mutagenesis and functional studies of the TRPV1 channel. PMID:27699868

The influence of anesthesia and fluid-structure interaction on simulated shear stress patterns in the carotid bifurcation of mice.

PubMed

De Wilde, David; Trachet, Bram; De Meyer, Guido; Segers, Patrick

2016-09-06

Low and oscillatory wall shear stresses (WSS) near aortic bifurcations have been linked to the onset of atherosclerosis. In previous work, we calculated detailed WSS patterns in the carotid bifurcation of mice using a Fluid-structure interaction (FSI) approach. We subsequently fed the animals a high-fat diet and linked the results of the FSI simulations to those of atherosclerotic plaque location on a within-subject basis. However, these simulations were based on boundary conditions measured under anesthesia, while active mice might experience different hemodynamics. Moreover, the FSI technique for mouse-specific simulations is both time- and labor-intensive, and might be replaced by simpler and easier Computational Fluid Dynamics (CFD) simulations. The goal of the current work was (i) to compare WSS patterns based on anesthesia conditions to those representing active resting and exercising conditions; and (ii) to compare WSS patterns based on FSI simulations to those based on steady-state and transient CFD simulations. For each of the 3 computational techniques (steady state CFD, transient CFD, FSI) we performed 5 simulations: 1 for anesthesia, 2 for conscious resting conditions and 2 more for conscious active conditions. The inflow, pressure and heart rate were scaled according to representative in vivo measurements obtained from literature. When normalized by the maximal shear stress value, shear stress patterns were similar for the 3 computational techniques. For all activity levels, steady state CFD led to an overestimation of WSS values, while FSI simulations yielded a clear increase in WSS reversal at the outer side of the sinus of the external carotid artery that was not visible in transient CFD-simulations. Furthermore, the FSI simulations in the highest locomotor activity state showed a flow recirculation zone in the external carotid artery that was not present under anesthesia. This recirculation went hand in hand with locally increased WSS reversal. Our data show that FSI simulations are not necessary to obtain normalized WSS patterns, but indispensable to assess the oscillatory behavior of the WSS in mice. Flow recirculation and WSS reversal at the external carotid artery may occur during high locomotor activity while they are not present under anesthesia. These phenomena might thus influence plaque formation to a larger extent than what was previously assumed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Reconfigurable Control with Neural Network Augmentation for a Modified F-15 Aircraft

NASA Technical Reports Server (NTRS)

Burken, John J.

2007-01-01

This paper describes the performance of a simplified dynamic inversion controller with neural network supplementation. This 6 DOF (Degree-of-Freedom) simulation study focuses on the results with and without adaptation of neural networks using a simulation of the NASA modified F-15 which has canards. One area of interest is the performance of a simulated surface failure while attempting to minimize the inertial cross coupling effect of a [B] matrix failure (a control derivative anomaly associated with a jammed or missing control surface). Another area of interest and presented is simulated aerodynamic failures ([A] matrix) such as a canard failure. The controller uses explicit models to produce desired angular rate commands. The dynamic inversion calculates the necessary surface commands to achieve the desired rates. The simplified dynamic inversion uses approximate short period and roll axis dynamics. Initial results indicated that the transient response for a [B] matrix failure using a Neural Network (NN) improved the control behavior when compared to not using a neural network for a given failure, However, further evaluation of the controller was comparable, with objections io the cross coupling effects (after changes were made to the controller). This paper describes the methods employed to reduce the cross coupling effect and maintain adequate tracking errors. The IA] matrix failure results show that control of the aircraft without adaptation is more difficult [leas damped) than with active neural networks, Simulation results show Neural Network augmentation of the controller improves performance in terms of backing error and cross coupling reduction and improved performance with aerodynamic-type failures.

Detection of non-absorbing charge dynamics via refractive index change in dye-sensitized solar cells.

PubMed

Kuwahara, Shota; Hata, Hiroaki; Taya, Soichiro; Maeda, Naotaka; Shen, Qing; Toyoda, Taro; Katayama, Kenji

2013-04-28

The carrier dynamics in dye-sensitized solar cells was investigated by using the transient grating, in addition to the transient absorption method and transient photocurrent method on the order of microseconds to seconds. The signals for the same sample were obtained under a short-circuit condition to compare the carrier dynamics via refractive index change with the transient photocurrent measurement. Optically silent carrier dynamics by transient absorption have been successfully observed via a refractive index change. The corresponding signal components were originated from the charge dynamics at the solid/liquid interface, especially on the liquid side; rearrangement or diffusion motion of charged redox species occurred when the injected electrons were trapped at the TiO2 surface and when the electron-electrolyte recombination occurred at the interface. The assignments were confirmed from the dependence on the viscosity of the solvent and the presence of 4-tert-butyl pyridine. As the viscosity of the solvent increased, the rearrangement and the motion of the charged redox species were delayed. Since the rearrangement dynamics was changed by the presence of 4-tert-butyl pyridine, it affected not only the TiO2 surface but also the redox species close to the interface.

CFD Based Added Mass Prediction in Cruise Condition of Underwater Vehicle Dynamic

NASA Astrophysics Data System (ADS)

Agoes Moelyadi, Mochammad; Bambang Riswandi, Bagus

2018-04-01

One of the unsteady flow behavior on the hydrodynamic characteristics of underwater vehicle is the presence of added mass. In cruising conditions, the underwater vehicle may require the addition of speed or experience the disturbance in the form of unsteady flow so that cause the hydrodynamic interaction between the surface of the vehicle with the surrounding fluid. This leads to the rise of local velocity of flow and the great changes of hydrodynamic forces which are very influential on the stability of the underwater vehicle. One of the result is an additional force called added mass. It is very useful parameter to control underwater vehicle dynamic.This paper reports the research on the added mass coefficient of underwater vehicles obtained through the Computational Fluid Dynmaic (CFD) simulation method using CFX software. Added mass coefficient is calculated by performing an unsteady simulation or known as transient simulation. Computational simulations are based on the Reynold Average Navier- Stokes (RANS) equation solution. The simulated vehicle moves forward and backward according to the sinus function, with a frequency of 0.25 Hz, a 2 m amplitude, a cruising depth of 10 m below sea level, and Vcruise 1.54 m / s (Re = 9.000.000). Simulation result data includes velocity contour, variation of force and acceleration to frequency, and added mass coefficient.

Unraveling the martian water cycle with high-resolution global climate simulations

NASA Astrophysics Data System (ADS)

Pottier, Alizée; Forget, François; Montmessin, Franck; Navarro, Thomas; Spiga, Aymeric; Millour, Ehouarn; Szantai, André; Madeleine, Jean-Baptiste

2017-07-01

Global climate modeling of the Mars water cycle is usually performed at relatively coarse resolution (200 - 300km), which may not be sufficient to properly represent the impact of waves, fronts, topography effects on the detailed structure of clouds and surface ice deposits. Here, we present new numerical simulations of the annual water cycle performed at a resolution of 1° × 1° (∼ 60 km in latitude). The model includes the radiative effects of clouds, whose influence on the thermal structure and atmospheric dynamics is significant, thus we also examine simulations with inactive clouds to distinguish the direct impact of resolution on circulation and winds from the indirect impact of resolution via water ice clouds. To first order, we find that the high resolution does not dramatically change the behavior of the system, and that simulations performed at ∼ 200 km resolution capture well the behavior of the simulated water cycle and Mars climate. Nevertheless, a detailed comparison between high and low resolution simulations, with reference to observations, reveal several significant changes that impact our understanding of the water cycle active today on Mars. The key northern cap edge dynamics are affected by an increase in baroclinic wave strength, with a complication of northern summer dynamics. South polar frost deposition is modified, with a westward longitudinal shift, since southern dynamics are also influenced. Baroclinic wave mode transitions are observed. New transient phenomena appear, like spiral and streak clouds, already documented in the observations. Atmospheric circulation cells in the polar region exhibit a large variability and are fine structured, with slope winds. Most modeled phenomena affected by high resolution give a picture of a more turbulent planet, inducing further variability. This is challenging for long-period climate studies.

A simple, stable, and accurate linear tetrahedral finite element for transient, nearly, and fully incompressible solid dynamics: A dynamic variational multiscale approach [A simple, stable, and accurate tetrahedral finite element for transient, nearly incompressible, linear and nonlinear elasticity: A dynamic variational multiscale approach

DOE PAGES

Scovazzi, Guglielmo; Carnes, Brian; Zeng, Xianyi; ...

2015-11-12

Here, we propose a new approach for the stabilization of linear tetrahedral finite elements in the case of nearly incompressible transient solid dynamics computations. Our method is based on a mixed formulation, in which the momentum equation is complemented by a rate equation for the evolution of the pressure field, approximated with piece-wise linear, continuous finite element functions. The pressure equation is stabilized to prevent spurious pressure oscillations in computations. Incidentally, it is also shown that many stabilized methods previously developed for the static case do not generalize easily to transient dynamics. Extensive tests in the context of linear andmore » nonlinear elasticity are used to corroborate the claim that the proposed method is robust, stable, and accurate.« less

A simple, stable, and accurate linear tetrahedral finite element for transient, nearly, and fully incompressible solid dynamics: A dynamic variational multiscale approach [A simple, stable, and accurate tetrahedral finite element for transient, nearly incompressible, linear and nonlinear elasticity: A dynamic variational multiscale approach

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

Scovazzi, Guglielmo; Carnes, Brian; Zeng, Xianyi

Here, we propose a new approach for the stabilization of linear tetrahedral finite elements in the case of nearly incompressible transient solid dynamics computations. Our method is based on a mixed formulation, in which the momentum equation is complemented by a rate equation for the evolution of the pressure field, approximated with piece-wise linear, continuous finite element functions. The pressure equation is stabilized to prevent spurious pressure oscillations in computations. Incidentally, it is also shown that many stabilized methods previously developed for the static case do not generalize easily to transient dynamics. Extensive tests in the context of linear andmore » nonlinear elasticity are used to corroborate the claim that the proposed method is robust, stable, and accurate.« less

Groundwater contamination from an inactive uranium mill tailings pile: 2. Application of a dynamic mixing model

NASA Astrophysics Data System (ADS)

Narasimhan, T. N.; White, A. F.; Tokunaga, T.

1986-12-01

At Riverton, Wyoming, low pH process waters from an abandoned uranium mill tailings pile have been infiltrating into and contaminating the shallow water table aquifer. The contamination process has been governed by transient infiltration rates, saturated-unsaturated flow, as well as transient chemical reactions between the many chemical species present in the mixing waters and the sediments. In the first part of this two-part series [White et al., 1984] we presented field data as well as an interpretation based on a static mixing model. As an upper bound, we estimated that 1.7% of the tailings water had mixed with the native groundwater. In the present work we present the results of numerical investigation of the dynamic mixing process. The model, DYNAMIX (DYNAmic MIXing), couples a chemical speciation algorithm, PHREEQE, with a modified form of the transport algorithm, TRUMP, specifically designed to handle the simultaneous migration of several chemical constituents. The overall problem of simulating the evolution and migration of the contaminant plume was divided into three sub problems that were solved in sequential stages. These were the infiltration problem, the reactive mixing problem, and the plume-migration problem. The results of the application agree reasonably with the detailed field data. The methodology developed in the present study demonstrates the feasibility of analyzing the evolution of natural hydrogeochemical systems through a coupled analysis of transient fluid flow as well as chemical reactions. It seems worthwhile to devote further effort toward improving the physicochemical capabilities of the model as well as to enhance its computational efficiency.

Groundwater contamination from an inactive uranium mill tailings pile. 2. Application of a dynamic mixing model

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

Narashimhan, T.N.; White, A.F.; Tokunaga, T.

1986-12-01

At Riverton, Wyoming, low pH process waters from an abandoned uranium mill tailings pile have been infiltrating into and contaminating the shallow water table aquifer. The contamination process has been governed by transient infiltration rates, saturated-unsaturated flow, as well as transient chemical reactions between the many chemical species present in the mixing waters and the sediments. In the first part of this two-part series the authors presented field data as well as an interpretation based on a static mixing models. As an upper bound, the authors estimated that 1.7% of the tailings water had mixed with the native groundwater. Inmore » the present work they present the results of numerical investigation of the dynamic mixing process. The model, DYNAMIX (DYNamic MIXing), couples a chemical speciation algorithm, PHREEQE, with a modified form of the transport algorithm, TRUMP, specifically designed to handle the simultaneous migration of several chemical constituents. The overall problem of simulating the evolution and migration of the contaminant plume was divided into three sub problems that were solved in sequential stages. These were the infiltration problem, the reactive mixing problem, and the plume-migration problem. The results of the application agree reasonably with the detailed field data. The methodology developed in the present study demonstrates the feasibility of analyzing the evolution of natural hydrogeochemical systems through a coupled analysis of transient fluid flow as well as chemical reactions. It seems worthwhile to devote further effort toward improving the physicochemical capabilities of the model as well as to enhance its computational efficiency.« less

Transient Pressure Test Article Test Program

NASA Technical Reports Server (NTRS)

Vibbart, Charles M.

1989-01-01

The Transient Pressure Test Article (TPTA) test program is being conducted at a new test facility located in the East Test Area at the National Aeronautics and Space Administration's (NASA's) Marshall Space Flight Center (MSFC) in Huntsville, Alabama. This facility, along with the special test equipment (STE) required for facility support, was constructed specifically to test and verify the sealing capability of the Redesigned Solid Rocket Motor (RSRM) field, igniter, and nozzle joints. The test article consists of full scale RSRM hardware loaded with inert propellant and assembled in a short stack configuration. The TPTA is pressurized by igniting a propellant cartridge capable of inducing a pressure rise rate which stimulates the ignition transient that occurs during launch. Dynamic loads are applied during the pressure cycle to simulate external tank attach (ETA) strut loads present on the ETA ring. Sealing ability of the redesigned joints is evaluated under joint movement conditions produced by these combined loads since joint sealing ability depends on seal resilience velocity being greater than gap opening velocity. Also, maximum flight dynamic loads are applied to the test article which is either pressurized to 600 psia using gaseous nitrogen (GN2) or applied to the test article as the pressure decays inside the test article on the down cycle after the ignition transient cycle. This new test facility is examined with respect to its capabilities. In addition, both the topic of test effectiveness versus space vehicle flight performance and new aerospace test techniques, as well as a comparison between the old SRM design and the RSRM are presented.

Efficient multidimensional regularization for Volterra series estimation

NASA Astrophysics Data System (ADS)

Birpoutsoukis, Georgios; Csurcsia, Péter Zoltán; Schoukens, Johan

2018-05-01

This paper presents an efficient nonparametric time domain nonlinear system identification method. It is shown how truncated Volterra series models can be efficiently estimated without the need of long, transient-free measurements. The method is a novel extension of the regularization methods that have been developed for impulse response estimates of linear time invariant systems. To avoid the excessive memory needs in case of long measurements or large number of estimated parameters, a practical gradient-based estimation method is also provided, leading to the same numerical results as the proposed Volterra estimation method. Moreover, the transient effects in the simulated output are removed by a special regularization method based on the novel ideas of transient removal for Linear Time-Varying (LTV) systems. Combining the proposed methodologies, the nonparametric Volterra models of the cascaded water tanks benchmark are presented in this paper. The results for different scenarios varying from a simple Finite Impulse Response (FIR) model to a 3rd degree Volterra series with and without transient removal are compared and studied. It is clear that the obtained models capture the system dynamics when tested on a validation dataset, and their performance is comparable with the white-box (physical) models.

Aeroelastic Modeling of a Nozzle Startup Transient

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Zhao, Xiang; Zhang, Sijun; Chen, Yen-Sen

2014-01-01

Lateral nozzle forces are known to cause severe structural damage to any new rocket engine in development during test. While three-dimensional, transient, turbulent, chemically reacting computational fluid dynamics methodology has been demonstrated to capture major side load physics with rigid nozzles, hot-fire tests often show nozzle structure deformation during major side load events, leading to structural damages if structural strengthening measures were not taken. The modeling picture is incomplete without the capability to address the two-way responses between the structure and fluid. The objective of this study is to develop a tightly coupled aeroelastic modeling algorithm by implementing the necessary structural dynamics component into an anchored computational fluid dynamics methodology. The computational fluid dynamics component is based on an unstructured-grid, pressure-based computational fluid dynamics formulation, while the computational structural dynamics component is developed under the framework of modal analysis. Transient aeroelastic nozzle startup analyses at sea level were performed, and the computed transient nozzle fluid-structure interaction physics presented,

Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors

PubMed Central

Di Pietro, Ornella; Laughton, Charles A.

2017-01-01

The critical role of BACE-1 in the formation of neurotoxic ß-amyloid peptides in the brain makes it an attractive target for an efficacious treatment of Alzheimer’s disease. However, the development of clinically useful BACE-1 inhibitors has proven to be extremely challenging. In this study we examine the binding mode of a novel potent inhibitor (compound 1, with IC50 80 nM) designed by synergistic combination of two fragments—huprine and rhein—that individually are endowed with very low activity against BACE-1. Examination of crystal structures reveals no appropriate binding site large enough to accommodate 1. Therefore we have examined the conformational flexibility of BACE-1 through extended molecular dynamics simulations, paying attention to the highly flexible region shaped by loops 8–14, 154–169 and 307–318. The analysis of the protein dynamics, together with studies of pocket druggability, has allowed us to detect the transient formation of a secondary binding site, which contains Arg307 as a key residue for the interaction with small molecules, at the edge of the catalytic cleft. The formation of this druggable “floppy” pocket would enable the binding of multisite inhibitors targeting both catalytic and secondary sites. Molecular dynamics simulations of BACE-1 bound to huprine-rhein hybrid compounds support the feasibility of this hypothesis. The results provide a basis to explain the high inhibitory potency of the two enantiomeric forms of 1, together with the large dependence on the length of the oligomethylenic linker. Furthermore, the multisite hypothesis has allowed us to rationalize the inhibitory potency of a series of tacrine-chromene hybrid compounds, specifically regarding the apparent lack of sensitivity of the inhibition constant to the chemical modifications introduced in the chromene unit. Overall, these findings pave the way for the exploration of novel functionalities in the design of optimized BACE-1 multisite inhibitors. PMID:28505196

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

NASA Astrophysics Data System (ADS)

Zhou, Da; Qian, Hong

2011-09-01

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

Wavelet-based system identification of short-term dynamic characteristics of arterial baroreflex.

PubMed

Kashihara, Koji; Kawada, Toru; Sugimachi, Masaru; Sunagawa, Kenji

2009-01-01

The assessment of arterial baroreflex function in cardiovascular diseases requires quantitative evaluation of dynamic and static baroreflex properties because of the frequent modulation of baroreflex properties with unstable hemodynamics. The purpose of this study was to identify the dynamic baroreflex properties from transient changes of step pressure inputs with background noise during a short-duration baroreflex test in anesthetized rabbits with isolated carotid sinuses, using a modified wavelet-based time-frequency analysis. The proposed analysis was able to identify the transfer function of baroreflex as well as static properties from the transient input-output responses under normal [gain at 0.04 Hz from carotid sinus pressure (CSP) to arterial pressure (n = 8); 0.29 +/- 0.05 at low (40-60 mmHg), 1.28 +/- 0.12 at middle (80-100 mmHg), and 0.38 +/- 0.07 at high (120-140 mmHg) CSP changes] and pathophysiological [gain in control vs. phenylbiguanide (n = 8); 0.32 +/- 0.07 vs. 0.39 +/- 0.09 at low, 1.39 +/- 0.15 vs. 0.59 +/- 0.09 (p < 0.01) at middle, and 0.35 +/- 0.04 vs. 0.15 +/- 0.02 (p < 0.01) at high CSP changes] conditions. Subsequently, we tested the proposed wavelet-based method under closed-loop baroreflex responses; the simulation study indicates that it may be applicable to clinical situations for accurate assessment of dynamic baroreflex function. In conclusion, the dynamic baroreflex property to various pressure inputs could be simultaneously extracted from the step responses with background noise.

Capturing Transient Endoperoxide in the Singlet Oxygen Oxidation of Guanine.

PubMed

Lu, Wenchao; Liu, Jianbo

2016-02-24

The chemistry of singlet O2 toward the guanine base of DNA is highly relevant to DNA lesion, mutation, cell death, and pathological conditions. This oxidative damage is initiated by the formation of a transient endoperoxide through the Diels-Alder cycloaddition of singlet O2 to the guanine imidazole ring. However, no endoperoxide formation was directly detected in native guanine or guanosine, even at -100 °C. Herein, gas-phase ion-molecule scattering mass spectrometry was utilized to capture unstable endoperoxides in the collisions of hydrated guanine ions (protonated or deprotonated) with singlet O2 at ambient temperature. Corroborated by results from potential energy surface exploration, kinetic modeling, and dynamics simulations, various aspects of endoperoxide formation and transformation (including its dependence on guanine ionization and hydration states, as well as on collision energy) were determined. This work has pieced together reaction mechanisms, kinetics, and dynamics data concerning the early stage of singlet O2 induced guanine oxidation, which is missing from conventional condensed-phase studies. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Transient lattice contraction in the solid to plasma transition of x-ray heated xenon clusters

NASA Astrophysics Data System (ADS)

Bostedt, C.; Ferguson, K.; Gorkhover, T.; Bucksbaum, P. H.; Boutet, S.; Koglin, J. E.; Lutman, A.; Marinelli, A.; Turner, J.; Bucher, M.; Ho, P.; Knight, C.; Young, L.; Fukuzawa, H.; Kumagai, Y.; Ueda, K.; Nagaya, K.; Messerschmidt, M.; Williams, G.

2016-05-01

Any sample in the focus of intense x-ray pulses will be transformed into a nanoplasma within femtoseconds. We have employed the novel two-color two-pulse mode available at the Linac Coherent Light Source free-electron laser to investigate the structural dynamics in nanoparticles upon x-ray exposure. We find that the nanoparticle transiently contracts within the first 80 fs following x-ray irradiation before ultimately disintegrating in a rapid hydrodynamic expansion. The contraction can be attributed to the massive x-ray induced electronic excitation that induces a collective change in the bond character of the nanoparticles. Alternative explanations for the contraction include a compression wave stemming from a rapid surface explosion of the nanoparticle. Computer simulations under way can elucidate the dominant contraction mechanism and yield further insight into the complex x-ray induced dynamics in nanoscale samples. This work is funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Contract No. DE-AC02-06CH11357.

Modeling of combustion processes of stick propellants via combined Eulerian-Lagrangian approach

NASA Technical Reports Server (NTRS)

Kuo, K. K.; Hsieh, K. C.; Athavale, M. M.

1988-01-01

This research is motivated by the improved ballistic performance of large-caliber guns using stick propellant charges. A comprehensive theoretical model for predicting the flame spreading, combustion, and grain deformation phenomena of long, unslotted stick propellants is presented. The formulation is based upon a combined Eulerian-Lagrangian approach to simulate special characteristics of the two phase combustion process in a cartridge loaded with a bundle of sticks. The model considers five separate regions consisting of the internal perforation, the solid phase, the external interstitial gas phase, and two lumped parameter regions at either end of the stick bundle. For the external gas phase region, a set of transient one-dimensional fluid-dynamic equations using the Eulerian approach is obtained; governing equations for the stick propellants are formulated using the Lagrangian approach. The motion of a representative stick is derived by considering the forces acting on the entire propellant stick. The instantaneous temperature and stress fields in the stick propellant are modeled by considering the transient axisymmetric heat conduction equation and dynamic structural analysis.

A novel approach of dynamic cross correlation analysis on molecular dynamics simulations and its application to Ets1 dimer-DNA complex.

PubMed

Kasahara, Kota; Fukuda, Ikuo; Nakamura, Haruki

2014-01-01

The dynamic cross correlation (DCC) analysis is a popular method for analyzing the trajectories of molecular dynamics (MD) simulations. However, it is difficult to detect correlative motions that appear transiently in only a part of the trajectory, such as atomic contacts between the side-chains of amino acids, which may rapidly flip. In order to capture these multi-modal behaviors of atoms, which often play essential roles, particularly at the interfaces of macromolecules, we have developed the "multi-modal DCC (mDCC)" analysis. The mDCC is an extension of the DCC and it takes advantage of a Bayesian-based pattern recognition technique. We performed MD simulations for molecular systems modeled from the (Ets1)2-DNA complex and analyzed their results with the mDCC method. Ets1 is an essential transcription factor for a variety of physiological processes, such as immunity and cancer development. Although many structural and biochemical studies have so far been performed, its DNA binding properties are still not well characterized. In particular, it is not straightforward to understand the molecular mechanisms how the cooperative binding of two Ets1 molecules facilitates their recognition of Stromelysin-1 gene regulatory elements. A correlation network was constructed among the essential atomic contacts, and the two major pathways by which the two Ets1 molecules communicate were identified. One is a pathway via direct protein-protein interactions and the other is that via the bound DNA intervening two recognition helices. These two pathways intersected at the particular cytosine bases (C110/C11), interacting with the H1, H2, and H3 helices. Furthermore, the mDCC analysis showed that both pathways included the transient interactions at their intermolecular interfaces of Tyr396-C11 and Ala327-Asn380 in multi-modal motions of the amino acid side chains and the nucleotide backbone. Thus, the current mDCC approach is a powerful tool to reveal these complicated behaviors and scrutinize intermolecular communications in a molecular system.

On the transient dynamics of piezoelectric-based, state-switched systems

NASA Astrophysics Data System (ADS)

Lopp, Garrett K.; Kelley, Christopher R.; Kauffman, Jeffrey L.

2018-01-01

This letter reports on the induced mechanical transients for piezoelectric-based, state-switching approaches utilizing both experimental tests and a numerical model that more accurately captures the dynamics associated with a switch between stiffness states. Currently, switching models instantaneously dissipate the stored piezoelectric voltage, resulting in a discrete change in effective stiffness states and a discontinuity in the system dynamics during the switching event. The proposed model allows for a rapid but continuous voltage dissipation and the corresponding variation between stiffness states, as one sees in physical implementations. This rapid variation in system stiffness when switching at a point of non-zero strain leads to high-frequency, large-amplitude transients in the system acceleration response. Utilizing a fundamental piezoelectric bimorph, a comparison between the numerical and experimental results reveals that these mechanical transients are much stronger than originally anticipated and masked by measurement hardware limitations, thus highlighting the significance of an appropriate system model governing the switch dynamics. Such a model enables designers to analyze systems that incorporate piezoelectric-based state switching with greater accuracy to ensure that these transients do not degrade the intended performance. Finally, if the switching does create unacceptable transients, controlling the duration of voltage dissipation enables control over the frequency content and peak amplitudes associated with the switch-induced acceleration transients.

Transport processes in directional solidification and their effects on microstructure development

NASA Astrophysics Data System (ADS)

Mazumder, Prantik

The processing of materials with unique electronic, mechanical, optical and thermal properties plays a crucial role in modern technology. The quality of these materials depend strongly on the microstructures and the solute/dopant fields in the solid product, that are strongly influenced by the intricate coupling of heat and mass transfer and melt flow in the growth systems. An integrated research program is developed that include precisely characterized experiments and detailed physical and numerical modeling of the complex transport and dynamical processes. Direct numerical simulation of the solidification process is carried out that takes into account the unsteady thermo-solutal convection in the vertical Bridgman crystal growth system, and accurately models the thermal interaction between the furnace and the ampoule by appropriately using experimentally measured thermal profiles. The flow instabilities and transitions and the nonlinear evolution following the transitions are investigated by time series and flow pattern analysis. A range of complex dynamical behavior is predicted with increasing thermal Rayleigh number. The route to chaos appears as: steady convection --> transient mono-periodic --> transient bi-periodic --> transient quasiperiodic --> transient intermittent oscillation- relaxation --> stable intermittent oscillation-relaxation attractor. The spatio-temporal dynamics of the melt flow is found to be directly related to the spatial patterns observed experimentally in the solidified crystals. The application of the model to two phase Sn-Cd peritectic alloys showed that a new class of tree-like oscillating microstructure develops in the solid phase due to unsteady thermo-solutal convection in the liquid melt. These oscillating layered structures can give the illusion of band structures on a plane of polish. The model is applied to single phase solidification in the Al-Cu and Pb-Sn systems to characterize the effect of convection on the macroscopic shape and disorder in the primary arm spacing of the cellular/dendritic freezing front. The apparently puzzling experimental observation of higher disorder in the weakly convective Al-Cu system than that in the highly convective Pb-Sn system is explained by the numerical calculations.

Robust spatial memory maps in flickering neuronal networks: a topological model

NASA Astrophysics Data System (ADS)

Dabaghian, Yuri; Babichev, Andrey; Memoli, Facundo; Chowdhury, Samir; Rice University Collaboration; Ohio State University Collaboration

It is widely accepted that the hippocampal place cells provide a substrate of the neuronal representation of the environment--the ``cognitive map''. However, hippocampal network, as any other network in the brain is transient: thousands of hippocampal neurons die every day and the connections formed by these cells constantly change due to various forms of synaptic plasticity. What then explains the remarkable reliability of our spatial memories? We propose a computational approach to answering this question based on a couple of insights. First, we propose that the hippocampal cognitive map is fundamentally topological, and hence it is amenable to analysis by topological methods. We then apply several novel methods from homology theory, to understand how dynamic connections between cells influences the speed and reliability of spatial learning. We simulate the rat's exploratory movements through different environments and study how topological invariants of these environments arise in a network of simulated neurons with ``flickering'' connectivity. We find that despite transient connectivity the network of place cells produces a stable representation of the topology of the environment.

Transient shocks beyond the heliopause

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

Fermo, R. L.; Pogorelov, N. V.; Burlaga, L. F.

The heliopause is a rich, dynamic surface affected by the time-dependent solar wind. Stream interactions due to coronal mass ejections (CMEs), corotating interaction regions (CIRs), and other transient phenomena are known to merge producing global merged interaction regions (GMIRs). Numerical simulations of the solar wind interaction with the local interstellar medium (LISM) show that GMIRs, as well other time-dependent structures in the solar wind, may produce compression/rarefaction waves and shocks in the LISM behind the heliopause. These shocks may initiate wave activity observed by the Voyager spacecraft. The magnetometer onboard Voyager 1 indeed observed a few structures that may bemore » interpreted as shocks. We present numerical simulations of such shocks in the year of 2000, when both Voyager spacecraft were in the supersonic solar wind region, and in 2012, when Voyager 1 observed traveling shocks. In the former case, Voyager observations themselves provide time- dependent boundary conditions in the solar wind. In the latter case, we use OMNI data at 1 AU to analyze the plasma and magnetic field behavior after Voyager 1 crossed the heliospheric boundary. Numerical results are compared with spacecraft observations.« less

Transient shocks beyond the heliopause

DOE PAGES

Fermo, R. L.; Pogorelov, N. V.; Burlaga, L. F.

2015-09-30

The heliopause is a rich, dynamic surface affected by the time-dependent solar wind. Stream interactions due to coronal mass ejections (CMEs), corotating interaction regions (CIRs), and other transient phenomena are known to merge producing global merged interaction regions (GMIRs). Numerical simulations of the solar wind interaction with the local interstellar medium (LISM) show that GMIRs, as well other time-dependent structures in the solar wind, may produce compression/rarefaction waves and shocks in the LISM behind the heliopause. These shocks may initiate wave activity observed by the Voyager spacecraft. The magnetometer onboard Voyager 1 indeed observed a few structures that may bemore » interpreted as shocks. We present numerical simulations of such shocks in the year of 2000, when both Voyager spacecraft were in the supersonic solar wind region, and in 2012, when Voyager 1 observed traveling shocks. In the former case, Voyager observations themselves provide time- dependent boundary conditions in the solar wind. In the latter case, we use OMNI data at 1 AU to analyze the plasma and magnetic field behavior after Voyager 1 crossed the heliospheric boundary. Numerical results are compared with spacecraft observations.« less

Resistive wall mode feedback control in EXTRAP T2R with improved steady-state error and transient response

NASA Astrophysics Data System (ADS)

Brunsell, P. R.; Olofsson, K. E. J.; Frassinetti, L.; Drake, J. R.

2007-10-01

Experiments in the EXTRAP T2R reversed field pinch [P. R. Brunsell, H. Bergsåker, M. Cecconello et al., Plasma Phys. Control. Fusion 43, 1457 (2001)] on feedback control of m =1 resistive wall modes (RWMs) are compared with simulations using the cylindrical linear magnetohydrodynamic model, including the dynamics of the active coils and power amplifiers. Stabilization of the main RWMs (n=-11,-10,-9,-8,+5,+6) is shown using modest loop gains of the order G ˜1. However, other marginally unstable RWMs (n=-2,-1,+1,+2) driven by external field errors are only partially canceled at these gains. The experimental system stability limit is confirmed by simulations showing that the latency of the digital controller ˜50μs is degrading the system gain margin. The transient response is improved with a proportional-plus-derivative controller, and steady-state error is improved with a proportional-plus-integral controller. Suppression of all modes is obtained at high gain G ˜10 using a proportional-plus-integral-plus-derivative controller.

Transient aerodynamic characteristics of vans during the accelerated overtaking process

NASA Astrophysics Data System (ADS)

Liu, Li-ning; Wang, Xing-shen; Du, Guang-sheng; Liu, Zheng-gang; Lei, Li

2018-04-01

This paper studies the influence of the accelerated overtaking process on the vehicles' transient aerodynamic characteristics, through 3-D numerical simulations with dynamic meshes and sliding interface technique. Numerical accuracy is verified by experimental results. The aerodynamic characteristics of vehicles in the uniform overtaking process and the accelerated overtaking process are compared. It is shown that the speed variation of the overtaking van would influence the aerodynamic characteristics of the two vans, with greater influence on the overtaken van than on the overtaking van. The simulations of three different accelerated overtaking processes show that the greater the acceleration of the overtaking van, the larger the aerodynamic coefficients of the overtaken van. When the acceleration of the overtaking van increases by 1 m/s2, the maximum drag force, side force and yawing moment coefficients of the overtaken van all increase by more than 6%, to seriously affect the power performance and the stability of the vehicles. The analysis of the pressure fields under different accelerated conditions reveals the cause of variations of the aerodynamic characteristics of vehicles.

Time dependent and temperature dependent properties of the forward voltage characteristic of InGaN high power LEDs

NASA Astrophysics Data System (ADS)

Fulmek, P. L.; Haumer, P.; Wenzl, F. P.; Nemitz, W.; Nicolics, J.

2017-03-01

Estimating the junction temperature and its dynamic behavior in dependence of various operating conditions is an important issue, since these properties influence the optical characteristics as well as the aging processes of a light-emitting diode (LED). Particularly for high-power LEDs and pulsed operation, the dynamic behavior and the resulting thermal cycles are of interest. The forward voltage method relies on the existence of a time-independent unique triple of forward-voltage, forward-current, and junction temperature. These three figures should as well uniquely define the optical output power and spectrum, as well as the loss power of the LED, which is responsible for an increase of the junction temperature. From transient FEM-simulations one may expect an increase of the temperature of the active semiconductor layer of some 1/10 K within the first 10 μs. Most of the well-established techniques for junction temperature measurement via forward voltage method evaluate the measurement data several dozens of microseconds after switching on or switching off and estimate the junction temperature by extrapolation towards the time of switching. In contrast, the authors developed a measurement procedure with the focus on the first microseconds after switching. Besides a fast data acquisition system, a precise control of the switching process is required, i.e. a precisely defined current pulse amplitude with fast rise-time and negligible transient by-effects. We start with a short description of the measurement setup and the newly developed control algorithm for the generation of short current pulses. The thermal characterization of the LED chip during the measurement procedures is accomplished by an IR thermography system and transient finite element simulations. The same experimental setup is used to investigate the optical properties of the LED in an Ulbricht-sphere. Our experiments are performed on InGaN LED chips mounted on an Al based insulated metal substrate (IMS), giving a comprehensive picture of the transient behavior of the forward voltage of this type of high power LED.

Transient Fluorescence Spectroscopy and laser induced fluorescence lifetimes of terbium doped dipicolinic acid

NASA Astrophysics Data System (ADS)

Makoui, Anali

We have investigated the use of deep UV laser induced fluorescence for the sensitive detection and spectroscopic lifetime studies of terbium doped dipicolinic acid (DPA-Tb) and used this to study the optical characteristics of DPA which is a chemical surrounding most bacterial spores. Background absorption spectra, fluorescence spectra, and Excitation Emission Matrix (EEM) spectra were made of the DPA-Tb complex, using both fixed 266 nm wavelength and tunable (220 nm--280 nm) UV laser excitations. Of importance, the fluorescence lifetimes of the four main fluorescence peaks (488 nm, 543 nm, 581 nm, and 618 nm) of the DPA-Tb complex have been measured for the first time to our knowledge. The lifetimes of all the fluorescing lines have been measured as a function of DPA-Tb concentration, solvent pH, and solvent composition, including that for the weakest fluorescing line of DPA-Tb at 618 nm. In addition, a new spectroscopic lifetime measurement technique, which we call "Transient Fluorescence Spectroscopy", was developed. In this technique, a weak, quasi-CW, amplitude modulated UV laser (8.5 kHz) was used to measure the lifetimes of the fluorescence lines, and yields insight into energy transfer and excitation lifetimes within the system. This technique is especially useful when a high power laser is not either available or not suitable. In the latter case, this would be when a high power pulsed deep-UV laser could produce bleaching or destruction of the biological specimen. In addition, this technique simulated the excitation and fluorescence emission of the DPA-Tb using a 4-level energy model, and solved the dynamic transient rate equations to predict the temporal behavior of the DPA-Tb emitted fluorescence. Excellent agreement between the experiments and the simulation were found. This technique has the potential to provide a more accurate value for the fluorescence lifetime values. In addition, with the use of asymmetric excitation waveforms, the dynamic transient rate equation analysis may allow for detailed studies of selected transfer mechanisms in a wide range of other spectroscopic applications including rare-earth solid-state lasing materials and biological samples.

Parametric study on the performance of automotive MR shock absorbers

NASA Astrophysics Data System (ADS)

Gołdasz, J.; Dzierżek, S.

2016-09-01

The paper contains the results of a parametric study to explore the influence of various quantities on the performance range of semi-active automotive shock absorbers using the magnetorheological (MR) fluid under steady-state and transient excitations. The analysis was performed with simulated data and using a standard single-tube shock absorber configuration with a single-gap MR valve. Additionally, the impact of material variables and valves geometry was examined as the parameters were varied and its dynamic range studied.

Comparison/Validation Study of Lattice Boltzmann and Navier Stokes for Various Benchmark Applications: Report 1 in Discrete Nano-Scale Mechanics and Simulations Series

DTIC Science & Technology

2014-09-15

solver, OpenFOAM version 2.1.‡ In particular, the incompressible laminar flow equations (Eq. 6-8) were solved in conjunction with the pressure im- plicit...central differencing and upwinding schemes, respectively. Since the OpenFOAM code is inherently transient, steady-state conditions were ob- tained...collaborative effort between Kitware and Los Alamos National Laboratory. ‡ OpenFOAM is a free, open-source computational fluid dynamics software developed

Preparation macroconstants to simulate the core of VVER-1000 reactor

NASA Astrophysics Data System (ADS)

Seleznev, V. Y.

2017-01-01

Dynamic model is used in simulators of VVER-1000 reactor for training of operating staff and students. As a code for the simulation of neutron-physical characteristics is used DYNCO code that allows you to perform calculations of stationary, transient and emergency processes in real time to a different geometry of the reactor lattices [1]. To perform calculations using this code, you need to prepare macroconstants for each FA. One way of getting macroconstants is to use the WIMS code, which is based on the use of its own 69-group macroconstants library. This paper presents the results of calculations of FA obtained by the WIMS code for VVER-1000 reactor with different parameters of fuel and coolant, as well as the method of selection of energy groups for further calculation macroconstants.

Simultaneous Quantification of Spatially Discordant Alternans in Voltage and Intracellular Calcium in Langendorff-Perfused Rabbit Hearts and Inconsistencies with Models of Cardiac Action Potentials and Ca Transients

PubMed Central

Uzelac, Ilija; Ji, Yanyan C.; Hornung, Daniel; Schröder-Scheteling, Johannes; Luther, Stefan; Gray, Richard A.; Cherry, Elizabeth M.; Fenton, Flavio H.

2017-01-01

Rationale: Discordant alternans, a phenomenon in which the action potential duration (APDs) and/or intracellular calcium transient durations (CaDs) in different spatial regions of cardiac tissue are out of phase, present a dynamical instability for complex spatial dispersion that can be associated with long-QT syndrome (LQTS) and the initiation of reentrant arrhythmias. Because the use of numerical simulations to investigate arrhythmic effects, such as acquired LQTS by drugs is beginning to be studied by the FDA, it is crucial to validate mathematical models that may be used during this process. Objective: In this study, we characterized with high spatio-temporal resolution the development of discordant alternans patterns in transmembrane voltage (Vm) and intracellular calcium concentration ([Cai]+2) as a function of pacing period in rabbit hearts. Then we compared the dynamics to that of the latest state-of-the-art model for ventricular action potentials and calcium transients to better understand the underlying mechanisms of discordant alternans and compared the experimental data to the mathematical models representing Vm and [Cai]+2 dynamics. Methods and Results: We performed simultaneous dual optical mapping imaging of Vm and [Cai]+2 in Langendorff-perfused rabbit hearts with higher spatial resolutions compared with previous studies. The rabbit hearts developed discordant alternans through decreased pacing period protocols and we quantified the presence of multiple nodal points along the direction of wave propagation, both in APD and CaD, and compared these findings with results from theoretical models. In experiments, the nodal lines of CaD alternans have a steeper slope than those of APD alternans, but not as steep as predicted by numerical simulations in rabbit models. We further quantified several additional discrepancies between models and experiments. Conclusions: Alternans in CaD have nodal lines that are about an order of magnitude steeper compared to those of APD alternans. Current action potential models lack the necessary coupling between voltage and calcium compared to experiments and fail to reproduce some key dynamics such as, voltage amplitude alternans, smooth development of calcium alternans in time, conduction velocity and the steepness of the nodal lines of APD and CaD. PMID:29104543

A Three-Wave Model of the Stratosphere with Coupled Dynamics, Radiation and Photochemistry. Appendix M

NASA Technical Reports Server (NTRS)

Shia, Run-Lie; Zhou, Shuntai; Ko, Malcolm K. W.; Sze, Nien-Dak; Salstein, David; Cady-Pereira, Karen

1997-01-01

A zonal mean chemistry transport model (2-D CTM) coupled with a semi-spectral dynamical model is used to simulate the distributions of trace gases in the present day atmosphere. The zonal-mean and eddy equations for the velocity and the geopotential height are solved in the semi-spectral dynamical model. The residual mean circulation is derived from these dynamical variables and used to advect the chemical species in the 2- D CTM. Based on a linearized wave transport equation, the eddy diffusion coefficients for chemical tracers are expressed in terms of the amplitude, frequency and growth rate of dynamical waves; local chemical loss rates; and a time constant parameterizing small scale mixing. The contributions to eddy flux are from the time varying wave amplitude (transient eddy), chemical reactions (chemical eddy) and small scale mixing. In spite of the high truncation in the dynamical module (only three longest waves are resolved), the model has simulated many observed characteristics of stratospheric dynamics and distribution of chemical species including ozone. Compared with the values commonly used in 2-D CTMs, the eddy diffusion coefficients for chemical species calculated in this model are smaller, especially in the subtropics. It is also found that the chemical eddy diffusion has only a small effects in determining the distribution of most slow species, including ozone in the stratosphere.

Inductive-dynamic magnetosphere-ionosphere coupling via MHD waves

NASA Astrophysics Data System (ADS)

Tu, Jiannan; Song, Paul; Vasyliūnas, Vytenis M.

2014-01-01

In the present study, we investigate magnetosphere-ionosphere/thermosphere (M-IT) coupling via MHD waves by numerically solving time-dependent continuity, momentum, and energy equations for ions and neutrals, together with Maxwell's equations (Ampère's and Faraday's laws) and with photochemistry included. This inductive-dynamic approach we use is fundamentally different from those in previous magnetosphere-ionosphere (M-I) coupling models: all MHD wave modes are retained, and energy and momentum exchange between waves and plasma are incorporated into the governing equations, allowing a self-consistent examination of dynamic M-I coupling. Simulations, using an implicit numerical scheme, of the 1-D ionosphere/thermosphere system responding to an imposed convection velocity at the top boundary are presented to show how magnetosphere and ionosphere are coupled through Alfvén waves during the transient stage when the IT system changes from one quasi steady state to another. Wave reflection from the low-altitude ionosphere plays an essential role, causing overshoots and oscillations of ionospheric perturbations, and the dynamical Hall effect is an inherent aspect of the M-I coupling. The simulations demonstrate that the ionosphere/thermosphere responds to magnetospheric driving forces as a damped oscillator.

Microbial Internal Storage Alters the Carbon Transformation in Dynamic Anaerobic Fermentation.

PubMed

Ni, Bing-Jie; Batstone, Damien; Zhao, Bai-Hang; Yu, Han-Qing

2015-08-04

Microbial internal storage processes have been demonstrated to occur and play an important role in activated sludge systems under both aerobic and anoxic conditions when operating under dynamic conditions. High-rate anaerobic reactors are often operated at a high volumetric organic loading and a relatively dynamic profile, with large amounts of fermentable substrates. These dynamic operating conditions and high catabolic energy availability might also facilitate the formation of internal storage polymers by anaerobic microorganisms. However, so far information about storage under anaerobic conditions (e.g., anaerobic fermentation) as well as its consideration in anaerobic process modeling (e.g., IWA Anaerobic Digestion Model No. 1, ADM1) is still sparse. In this work, the accumulation of storage polymers during anaerobic fermentation was evaluated by batch experiments using anaerobic methanogenic sludge and based on mass balance analysis of carbon transformation. A new mathematical model was developed to describe microbial storage in anaerobic systems. The model was calibrated and validated by using independent data sets from two different anaerobic systems, with significant storage observed, and effectively simulated in both systems. The inclusion of the new anaerobic storage processes in the developed model allows for more successful simulation of transients due to lower accumulation of volatile fatty acids (correction for the overestimation of volatile fatty acids), which mitigates pH fluctuations. Current models such as the ADM1 cannot effectively simulate these dynamics due to a lack of anaerobic storage mechanisms.

Transient dynamics of terrestrial carbon storage: Mathematical foundation and its applications

DOE PAGES

Luo, Yiqi; Shi, Zheng; Lu, Xingjie; ...

2017-01-12

Terrestrial ecosystems have absorbed roughly 30% of anthropogenic CO 2 emissions over the past decades, but it is unclear whether this carbon (C) sink will endure into the future. Despite extensive modeling and experimental and observational studies, what fundamentally determines transient dynamics of terrestrial C storage under global change is still not very clear. Here we develop a new framework for understanding transient dynamics of terrestrial C storage through mathematical analysis and numerical experiments. Our analysis indicates that the ultimate force driving ecosystem C storage change is the C storage capacity, which is jointly determined by ecosystem C input (e.g.,more » net primary production, NPP) and residence time. Since both C input and residence time vary with time, the C storage capacity is time-dependent and acts as a moving attractor that actual C storage chases. The rate of change in C storage is proportional to the C storage potential, which is the difference between the current storage and the storage capacity. The C storage capacity represents instantaneous responses of the land C cycle to external forcing, whereas the C storage potential represents the internal capability of the land C cycle to influence the C change trajectory in the next time step. The influence happens through redistribution of net C pool changes in a network of pools with different residence times. Moreover, this and our other studies have demonstrated that one matrix equation can replicate simulations of most land C cycle models (i.e., physical emulators). As a result, simulation outputs of those models can be placed into a three-dimensional (3-D) parameter space to measure their differences. The latter can be decomposed into traceable components to track the origins of model uncertainty. In addition, the physical emulators make data assimilation computationally feasible so that both C flux- and pool-related datasets can be used to better constrain model predictions of land C sequestration. Altogether, this new mathematical framework offers new approaches to understanding, evaluating, diagnosing, and improving land C cycle models.« less

Transient dynamics of terrestrial carbon storage: Mathematical foundation and its applications

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

Luo, Yiqi; Shi, Zheng; Lu, Xingjie

Terrestrial ecosystems have absorbed roughly 30% of anthropogenic CO 2 emissions over the past decades, but it is unclear whether this carbon (C) sink will endure into the future. Despite extensive modeling and experimental and observational studies, what fundamentally determines transient dynamics of terrestrial C storage under global change is still not very clear. Here we develop a new framework for understanding transient dynamics of terrestrial C storage through mathematical analysis and numerical experiments. Our analysis indicates that the ultimate force driving ecosystem C storage change is the C storage capacity, which is jointly determined by ecosystem C input (e.g.,more » net primary production, NPP) and residence time. Since both C input and residence time vary with time, the C storage capacity is time-dependent and acts as a moving attractor that actual C storage chases. The rate of change in C storage is proportional to the C storage potential, which is the difference between the current storage and the storage capacity. The C storage capacity represents instantaneous responses of the land C cycle to external forcing, whereas the C storage potential represents the internal capability of the land C cycle to influence the C change trajectory in the next time step. The influence happens through redistribution of net C pool changes in a network of pools with different residence times. Moreover, this and our other studies have demonstrated that one matrix equation can replicate simulations of most land C cycle models (i.e., physical emulators). As a result, simulation outputs of those models can be placed into a three-dimensional (3-D) parameter space to measure their differences. The latter can be decomposed into traceable components to track the origins of model uncertainty. In addition, the physical emulators make data assimilation computationally feasible so that both C flux- and pool-related datasets can be used to better constrain model predictions of land C sequestration. Altogether, this new mathematical framework offers new approaches to understanding, evaluating, diagnosing, and improving land C cycle models.« less

Transient dynamics of terrestrial carbon storage: Mathematical foundation and numeric examples

DOE PAGES

Luo, Yiqi; Shi, Zheng; Lu, Xingjie; ...

2016-09-16

Terrestrial ecosystems absorb roughly 30% of anthropogenic CO 2 emissions since preindustrial era, but it is unclear whether this carbon (C) sink will endure into the future. Despite extensive modeling, experimental, and observational studies, what fundamentally determines transient dynamics of terrestrial C storage under climate change is still not very clear. Here we develop a new framework for understanding transient dynamics of terrestrial C storage through mathematical analysis and numerical experiments. Our analysis indicates that the ultimate force driving ecosystem C storage change is the C storage capacity, which is jointly determined by ecosystem C input (e.g., net primary production,more » NPP) and residence time. Since both C input and residence time vary with time, the C storage capacity is time-dependent and acts as a moving attractor that actual C storage chases. The rate of change in C storage is proportional to the C storage potential, the difference between the current storage and the storage capacity. The C storage capacity represents instantaneous responses of the land C cycle to external forcing, whereas the C storage potential represents the internal capability of the land C cycle to influence the C change trajectory in the next time step. The influence happens through redistribution of net C pool changes in a network of pools with different residence times. Furthermore, this and our other studies have demonstrated that one matrix equation can exactly replicate simulations of most land C cycle models (i.e., physical emulators). As a result, simulation outputs of those models can be placed into a three-dimensional (3D) parameter space to measure their differences. The latter can be decomposed into traceable components to track the origins of model uncertainty. Moreover, the emulators make data assimilation computationally feasible so that both C flux- and pool-related datasets can be used to better constrain model predictions of land C sequestration. We also propose that the C storage potential be the targeted variable for research, market trading, and government negotiation for C credits.« less

Transient dynamics of terrestrial carbon storage: Mathematical foundation and numeric examples

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

Luo, Yiqi; Shi, Zheng; Lu, Xingjie

Terrestrial ecosystems absorb roughly 30% of anthropogenic CO 2 emissions since preindustrial era, but it is unclear whether this carbon (C) sink will endure into the future. Despite extensive modeling, experimental, and observational studies, what fundamentally determines transient dynamics of terrestrial C storage under climate change is still not very clear. Here we develop a new framework for understanding transient dynamics of terrestrial C storage through mathematical analysis and numerical experiments. Our analysis indicates that the ultimate force driving ecosystem C storage change is the C storage capacity, which is jointly determined by ecosystem C input (e.g., net primary production,more » NPP) and residence time. Since both C input and residence time vary with time, the C storage capacity is time-dependent and acts as a moving attractor that actual C storage chases. The rate of change in C storage is proportional to the C storage potential, the difference between the current storage and the storage capacity. The C storage capacity represents instantaneous responses of the land C cycle to external forcing, whereas the C storage potential represents the internal capability of the land C cycle to influence the C change trajectory in the next time step. The influence happens through redistribution of net C pool changes in a network of pools with different residence times. Furthermore, this and our other studies have demonstrated that one matrix equation can exactly replicate simulations of most land C cycle models (i.e., physical emulators). As a result, simulation outputs of those models can be placed into a three-dimensional (3D) parameter space to measure their differences. The latter can be decomposed into traceable components to track the origins of model uncertainty. Moreover, the emulators make data assimilation computationally feasible so that both C flux- and pool-related datasets can be used to better constrain model predictions of land C sequestration. We also propose that the C storage potential be the targeted variable for research, market trading, and government negotiation for C credits.« less

Advanced simulation study on bunch gap transient effect

NASA Astrophysics Data System (ADS)

Kobayashi, Tetsuya; Akai, Kazunori

2016-06-01

Bunch phase shift along the train due to a bunch gap transient is a concern in high-current colliders. In KEKB operation, the measured phase shift along the train agreed well with a simulation and a simple analytical form in most part of the train. However, a rapid phase change was observed at the leading part of the train, which was not predicted by the simulation or by the analytical form. In order to understand the cause of this observation, we have developed an advanced simulation, which treats the transient loading in each of the cavities of the three-cavity system of the accelerator resonantly coupled with energy storage (ARES) instead of the equivalent single cavities used in the previous simulation, operating in the accelerating mode. In this paper, we show that the new simulation reproduces the observation, and clarify that the rapid phase change at the leading part of the train is caused by a transient loading in the three-cavity system of ARES. KEKB is being upgraded to SuperKEKB, which is aiming at 40 times higher luminosity than KEKB. The gap transient in SuperKEKB is investigated using the new simulation, and the result shows that the rapid phase change at the leading part of the train is much larger due to higher beam currents. We will also present measures to mitigate possible luminosity reduction or beam performance deterioration due to the rapid phase change caused by the gap transient.

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.

Anisotropic Energy Transport Properties of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB)

NASA Astrophysics Data System (ADS)

Kroonblawd, Matthew P.

Anisotropic energy transport properties were determined theoretically for crystals of the insensitive explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using molecular dynamics simulations. Determination of these properties is necessary for the analysis and interpretation of molecular dynamics predictions of transient processes such as shock response and hot spot formation/relaxation and is similarly important for the accurate parameterization of meso- and continuum-scale engineering models aimed at understanding complex processes such as ignition and growth leading to detonation. TATB crystal exhibits a graphitic-like layered packing structure with a two-dimensional hydrogen-bonding network that forms within, but not between, the molecule-thick layers that comprise the crystal. This structure is thought to be the primary factor behind the significant anisotropy in many physical properties of TATB crystals. Anisotropic thermal conductivity coefficients were determined for initially defect-free and defective TATB crystals and isotropic values were determined for the liquid at temperatures and pressures up to (1800 K, 2.0 GPa). The room temperature, atmospheric pressure thermal conductivity for TATB is predicted to be generally greater and more anisotropic than the thermal conductivities of other molecular explosives; conduction within the layers is approximately 70% greater than conduction between the layers. The conductivity is predicted to decrease with temperature approximately as λ ∝ 1/T over the interval 200 K ≤ T ≤ 700 K and to linearly increase with pressure up to 2.5 GPa. Direction-dependent relaxation of idealized one-dimensional hot spots was studied. Results from hot spot relaxation simulations were compared with and fit to solutions for the one-dimensional diffusive heat equation by treating the thermal di.usivity as a parameter to assess the validity of using continuum models to describe heat transport in TATB on length scales below 10 nm. A dissipative particle dynamics (DPD) at constant energy (DPDE) coarsegrained model is developed for TATB and applied to micron-scale shock simulations wherein the predicted shock response is shown to be highly sensitive to a model parameter controlling kinetics of energy transport between inter- and intramolecular degrees of freedom. A generalized crystal-cutting method is developed that enables facile construction of three-dimensionally periodic simulation cells containing arbitrarily oriented single crystals and crystal-crystal interfaces for materials of arbitrary symmetry class. Strategies for non-uniform sampling of molecular dynamics simulations of transient phenomena are proposed that have the potential to drastically reduce data storage costs.

Black Box Real-Time Transient Absorption Spectroscopy and Electron Correlation

NASA Astrophysics Data System (ADS)

Parkhill, John

2017-06-01

We introduce an atomistic, all-electron, black-box electronic structure code to simulate transient absorption (TA) spectra and apply it to simulate pyrazole and a GFP- chromophore derivative1. The method is an application of OSCF2, our dissipative exten- sion of time-dependent density-functional theory. We compare our simulated spectra directly with recent ultra-fast spectroscopic experiments. We identify features in the TA spectra to Pauli-blocking which may be missed without a first-principles model. An important ingredient in this method is the stationary-TDDFT correction scheme recently put forwards by Fischer, Govind, and Cramer which allows us to overcome a limitation of adiabatic TDDFT. We demonstrate that OSCF2 is able to reproduce the energies of bleaches and induced absorptions, as well as the decay of the transient spectrum, with only the molecular structure as input. We show that the treatment of electron correlation is the biggest hurdle for TA simulations, which motivates the second half of the talk a new method for realtime electron correlation. We continue to derive and propagate self-consistent electronic dynamics. Extending our derivation of OSCF2 to include electron correlation we obtain a non-linear correlated one-body equation of motion which corrects TDHF. Similar equations are known in quantum kinetic theory, but rare in electronic structure. We introduce approximations that stabilize the theory and reduce its computational cost. We compare the resulting dynamics with well-known exact and approximate theories showing improvements over TDHF. When propagated EE2 changes occupation numbers like exact theory, an important feature missing from TDHF or TDDFT. We introduce a rotating wave approximation to reduce the scaling of the model to O(N^4), and enable propagation on realistically large systems. The equation-of-motion does not rely on a pure-state model for the electronic state, and could be used to study the relationship between electron correlation and relaxation/dephasing or as a non-adiabatic kernel for TDDFT. We show that a quasi-thermal Fermi-Dirac population of one-particle states is a stationary state of the method reached as the endpoint of propagation in some limits. We discuss this 'thermalization' of an isolated quantum many-body system in the context of the eigenstate thermalization hypothesis.

Advanced development of BEM for elastic and inelastic dynamic analysis of solids

NASA Technical Reports Server (NTRS)

Banerjee, P. K.; Ahmad, S.; Wang, H. C.

1989-01-01

Direct Boundary Element formulations and their numerical implementation for periodic and transient elastic as well as inelastic transient dynamic analyses of two-dimensional, axisymmetric and three-dimensional solids are presented. The inelastic formulation is based on an initial stress approach and is the first of its kind in the field of Boundary Element Methods. This formulation employs the Navier-Cauchy equation of motion, Graffi's dynamic reciprocal theorem, Stokes' fundamental solution, and the divergence theorem, together with kinematical and constitutive equations to obtain the pertinent integral equations of the problem in the time domain within the context of the small displacement theory of elastoplasticity. The dynamic (periodic, transient as well as nonlinear transient) formulations have been applied to a range of problems. The numerical formulations presented here are included in the BEST3D and GPBEST systems.

Linked-List-Based Multibody Dynamics (MBDyn) Engine

NASA Technical Reports Server (NTRS)

MacLean, John; Brain, Thomas; Wuiocho, Leslie; Huynh, An; Ghosh, Tushar

2012-01-01

This new release of MBDyn is a software engine that calculates the dynamics states of kinematic, rigid, or flexible multibody systems. An MBDyn multibody system may consist of multiple groups of articulated chains, trees, or closed-loop topologies. Transient topologies are handled through conservation of energy and momentum. The solution for rigid-body systems is exact, and several configurable levels of nonlinear term fidelity are available for flexible dynamics systems. The algorithms have been optimized for efficiency and can be used for both non-real-time (NRT) and real-time (RT) simulations. Interfaces are currently compatible with NASA's Trick Simulation Environment. This new release represents a significant advance in capability and ease of use. The two most significant new additions are an application programming interface (API) that clarifies and simplifies use of MBDyn, and a link-list infrastructure that allows a single MBDyn instance to propagate an arbitrary number of interacting groups of multibody top ologies. MBDyn calculates state and state derivative vectors for integration using an external integration routine. A Trickcompatible interface is provided for initialization, data logging, integration, and input/output.

Lattice-level measurement of material strength with LCLS during ultrafast dynamic compression

NASA Astrophysics Data System (ADS)

Milathianaki, Despina; Boutet, Sebastien; Ratner, Daniel; White, William; Williams, Garth; Gleason, Arianna; Swift, Damian; Higginbotham, Andrew; Wark, Justin

2013-10-01

An in-depth understanding of the stress-strain behavior of materials during ultrafast dynamic compression requires experiments that offer in-situ observation of the lattice at the pertinent temporal and spatial scales. To date, the lattice response under extreme strain-rate conditions (>108 s-1) has been inferred predominantly from continuum-level measurements and multi-million atom molecular dynamics simulations. Several time-resolved x-ray diffraction experiments have captured important information on plasticity kinetics, while limited to nanosecond timescales due to the lack of high brilliance ultrafast x-ray sources. Here we present experiments at LCLS combining ultrafast laser-shocks and serial femtosecond x-ray diffraction. The high spectral brightness (~1012 photons per pulse, ΔE/E = 0.2%) and subpicosecond temporal resolution (<100 fs pulsewidth) of the LCLS x-ray free electron laser allow investigations that link simulations and experiments at the fundamental temporal and spatial scales for the first time. We present movies of the lattice undergoing rapid shock-compression, composed by a series of single femtosecond x-ray snapshots, demonstrating the transient behavior while successfully decoupling the elastic and plastic response in polycrystalline Cu.

Generation of spiral waves pinned to obstacles in a simulated excitable system

NASA Astrophysics Data System (ADS)

Phantu, Metinee; Kumchaiseemak, Nakorn; Porjai, Porramain; Sutthiopad, Malee; Müller, Stefan C.; Luengviriya, Chaiya; Luengviriya, Jiraporn

2017-09-01

Pinning phenomena emerge in many dynamical systems. They are found to stabilize extreme conditions such as superconductivity and super fluidity. The dynamics of pinned spiral waves, whose tips trace the boundary of obstacles, also play an important role in the human health. In heart, such pinned waves cause longer tachycardia. In this article, we present two methods for generating pinned spiral waves in a simulated excitable system. In method A, an obstacle is set in the system prior to an ignition of a spiral wave. This method may be suitable only for the case of large obstacles since it often fails when used for small obstacles. In method B, a spiral wave is generated before an obstacle is placed at the spiral tip. With this method, a pinned spiral wave is always obtained, regardless the obstacle size. We demonstrate that after a transient interval the dynamics of the pinned spiral waves generated by the methods A and B are identical. The initiation of pinned spiral waves in both two- and three-dimensional systems is illustrated.

Ab initio RNA folding by discrete molecular dynamics: From structure prediction to folding mechanisms

PubMed Central

Ding, Feng; Sharma, Shantanu; Chalasani, Poornima; Demidov, Vadim V.; Broude, Natalia E.; Dokholyan, Nikolay V.

2008-01-01

RNA molecules with novel functions have revived interest in the accurate prediction of RNA three-dimensional (3D) structure and folding dynamics. However, existing methods are inefficient in automated 3D structure prediction. Here, we report a robust computational approach for rapid folding of RNA molecules. We develop a simplified RNA model for discrete molecular dynamics (DMD) simulations, incorporating base-pairing and base-stacking interactions. We demonstrate correct folding of 150 structurally diverse RNA sequences. The majority of DMD-predicted 3D structures have <4 Å deviations from experimental structures. The secondary structures corresponding to the predicted 3D structures consist of 94% native base-pair interactions. Folding thermodynamics and kinetics of tRNAPhe, pseudoknots, and mRNA fragments in DMD simulations are in agreement with previous experimental findings. Folding of RNA molecules features transient, non-native conformations, suggesting non-hierarchical RNA folding. Our method allows rapid conformational sampling of RNA folding, with computational time increasing linearly with RNA length. We envision this approach as a promising tool for RNA structural and functional analyses. PMID:18456842

Simulated fault injection - A methodology to evaluate fault tolerant microprocessor architectures

NASA Technical Reports Server (NTRS)

Choi, Gwan S.; Iyer, Ravishankar K.; Carreno, Victor A.

1990-01-01

A simulation-based fault-injection method for validating fault-tolerant microprocessor architectures is described. The approach uses mixed-mode simulation (electrical/logic analysis), and injects transient errors in run-time to assess the resulting fault impact. As an example, a fault-tolerant architecture which models the digital aspects of a dual-channel real-time jet-engine controller is used. The level of effectiveness of the dual configuration with respect to single and multiple transients is measured. The results indicate 100 percent coverage of single transients. Approximately 12 percent of the multiple transients affect both channels; none result in controller failure since two additional levels of redundancy exist.

Characterizing the role of the hippocampus during episodic simulation and encoding.

PubMed

Thakral, Preston P; Benoit, Roland G; Schacter, Daniel L

2017-12-01

The hippocampus has been consistently associated with episodic simulation (i.e., the mental construction of a possible future episode). In a recent study, we identified an anterior-posterior temporal dissociation within the hippocampus during simulation. Specifically, transient simulation-related activity occurred in relatively posterior portions of the hippocampus and sustained activity occurred in anterior portions. In line with previous theoretical proposals of hippocampal function during simulation, the posterior hippocampal activity was interpreted as reflecting a transient retrieval process for the episodic details necessary to construct an episode. In contrast, the sustained anterior hippocampal activity was interpreted as reflecting the continual recruitment of encoding and/or relational processing associated with a simulation. In the present study, we provide a direct test of these interpretations by conducting a subsequent memory analysis of our previously published data to assess whether successful encoding during episodic simulation is associated with the anterior hippocampus. Analyses revealed a subsequent memory effect (i.e., later remembered > later forgotten simulations) in the anterior hippocampus. The subsequent memory effect was transient and not sustained. Taken together, the current findings provide further support for a component process model of hippocampal function during simulation. That is, unique regions of the hippocampus support dissociable processes during simulation, which include the transient retrieval of episodic information, the sustained binding of such information into a coherent episode, and the transient encoding of that episode for later retrieval. © 2017 Wiley Periodicals, Inc.

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

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

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

NASA Astrophysics Data System (ADS)

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; Martinez, Todd; Chen, Hsing-Ta; Subotnik, Joseph E.

2018-03-01

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent "spontaneous" emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using the SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978), 10.1063/1.436793] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

DOE PAGES

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; ...

2018-03-12

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less

Development of a biosphere hydrological model considering vegetation dynamics and its evaluation at basin scale under climate change

NASA Astrophysics Data System (ADS)

Li, Qiaoling; Ishidaira, Hiroshi

2012-01-01

SummaryThe biosphere and hydrosphere are intrinsically coupled. The scientific question is if there is a substantial change in one component such as vegetation cover, how will the other components such as transpiration and runoff generation respond, especially under climate change conditions? Stand-alone hydrological models have a detailed description of hydrological processes but do not sufficiently parameterize vegetation as a dynamic component. Dynamic global vegetation models (DGVMs) are able to simulate transient structural changes in major vegetation types but do not simulate runoff generation reliably. Therefore, both hydrological models and DGVMs have their limitations as well as advantages for addressing this question. In this study a biosphere hydrological model (LPJH) is developed by coupling a prominent DGVM (Lund-Postdam-Jena model referred to as LPJ) with a stand-alone hydrological model (HYMOD), with the objective of analyzing the role of vegetation in the hydrological processes at basin scale and evaluating the impact of vegetation change on the hydrological processes under climate change. The application and validation of the LPJH model to four basins representing a variety of climate and vegetation conditions shows that the performance of LPJH is much better than that of the original LPJ and is similar to that of stand-alone hydrological models for monthly and daily runoff simulation at the basin scale. It is argued that the LPJH model gives more reasonable hydrological simulation since it considers both the spatial variability of soil moisture and vegetation dynamics, which make the runoff generation mechanism more reliable. As an example, it is shown that changing atmospheric CO 2 content alone would result in runoff increases in humid basins and decreases in arid basins. Theses changes are mainly attributable to changes in transpiration driven by vegetation dynamics, which are not simulated in stand-alone hydrological models. Therefore LPJH potentially provides a powerful tool for simulating vegetation response to climate changes in the biosphere hydrological cycle.

Design of transient light signal simulator based on FPGA

NASA Astrophysics Data System (ADS)

Kang, Jing; Chen, Rong-li; Wang, Hong

2014-11-01

A design scheme of transient light signal simulator based on Field Programmable gate Array (FPGA) was proposed in this paper. Based on the characteristics of transient light signals and measured feature points of optical intensity signals, a fitted curve was created in MATLAB. And then the wave data was stored in a programmed memory chip AT29C1024 by using SUPERPRO programmer. The control logic was realized inside one EP3C16 FPGA chip. Data readout, data stream cache and a constant current buck regulator for powering high-brightness LEDs were all controlled by FPGA. A 12-Bit multiplying CMOS digital-to-analog converter (DAC) DAC7545 and an amplifier OPA277 were used to convert digital signals to voltage signals. A voltage-controlled current source constituted by a NPN transistor and an operational amplifier controlled LED array diming to achieve simulation of transient light signal. LM3405A, 1A Constant Current Buck Regulator for Powering LEDs, was used to simulate strong background signal in space. Experimental results showed that the scheme as a transient light signal simulator can satisfy the requests of the design stably.

Transient dynamics of vulcanian explosions and column collapse.

PubMed

Clarke, A B; Voight, B; Neri, A; Macedonio, G

2002-02-21

Several analytical and numerical eruption models have provided insight into volcanic eruption behaviour, but most address plinian-type eruptions where vent conditions are quasi-steady. Only a few studies have explored the physics of short-duration vulcanian explosions with unsteady vent conditions and blast events. Here we present a technique that links unsteady vent flux of vulcanian explosions to the resulting dispersal of volcanic ejecta, using a numerical, axisymmetric model with multiple particle sizes. We use observational data from well documented explosions in 1997 at the Soufrière Hills volcano in Montserrat, West Indies, to constrain pre-eruptive subsurface initial conditions and to compare with our simulation results. The resulting simulations duplicate many features of the observed explosions, showing transitional behaviour where mass is divided between a buoyant plume and hazardous radial pyroclastic currents fed by a collapsing fountain. We find that leakage of volcanic gas from the conduit through surrounding rocks over a short period (of the order of 10 hours) or retarded exsolution can dictate the style of explosion. Our simulations also reveal the internal plume dynamics and particle-size segregation mechanisms that may occur in such eruptions.

Development of response models for the Earth Radiation Budget Experiment (ERBE) sensors. Part 1: Dynamic models and computer simulations for the ERBE nonscanner, scanner and solar monitor sensors

NASA Technical Reports Server (NTRS)

Halyo, Nesim; Choi, Sang H.; Chrisman, Dan A., Jr.; Samms, Richard W.

1987-01-01

Dynamic models and computer simulations were developed for the radiometric sensors utilized in the Earth Radiation Budget Experiment (ERBE). The models were developed to understand performance, improve measurement accuracy by updating model parameters and provide the constants needed for the count conversion algorithms. Model simulations were compared with the sensor's actual responses demonstrated in the ground and inflight calibrations. The models consider thermal and radiative exchange effects, surface specularity, spectral dependence of a filter, radiative interactions among an enclosure's nodes, partial specular and diffuse enclosure surface characteristics and steady-state and transient sensor responses. Relatively few sensor nodes were chosen for the models since there is an accuracy tradeoff between increasing the number of nodes and approximating parameters such as the sensor's size, material properties, geometry, and enclosure surface characteristics. Given that the temperature gradients within a node and between nodes are small enough, approximating with only a few nodes does not jeopardize the accuracy required to perform the parameter estimates and error analyses.

An Improved Dynamic Model for the Respiratory Response to Exercise

PubMed Central

Serna, Leidy Y.; Mañanas, Miguel A.; Hernández, Alher M.; Rabinovich, Roberto A.

2018-01-01

Respiratory system modeling has been extensively studied in steady-state conditions to simulate sleep disorders, to predict its behavior under ventilatory diseases or stimuli and to simulate its interaction with mechanical ventilation. Nevertheless, the studies focused on the instantaneous response are limited, which restricts its application in clinical practice. The aim of this study is double: firstly, to analyze both dynamic and static responses of two known respiratory models under exercise stimuli by using an incremental exercise stimulus sequence (to analyze the model responses when step inputs are applied) and experimental data (to assess prediction capability of each model). Secondly, to propose changes in the models' structures to improve their transient and stationary responses. The versatility of the resulting model vs. the other two is shown according to the ability to simulate ventilatory stimuli, like exercise, with a proper regulation of the arterial blood gases, suitable constant times and a better adjustment to experimental data. The proposed model adjusts the breathing pattern every respiratory cycle using an optimization criterion based on minimization of work of breathing through regulation of respiratory frequency. PMID:29467674

Towards Direct Numerical Simulation of mass and energy fluxes at the soil-atmospheric interface with advanced Lattice Boltzmann methods

NASA Astrophysics Data System (ADS)

Wang, Ying; Krafczyk, Manfred; Geier, Martin; Schönherr, Martin

2014-05-01

The quantification of soil evaporation and of soil water content dynamics near the soil surface are critical in the physics of land-surface processes on many scales and are dominated by multi-component and multi-phase mass and energy fluxes between the ground and the atmosphere. Although it is widely recognized that both liquid and gaseous water movement are fundamental factors in the quantification of soil heat flux and surface evaporation, their computation has only started to be taken into account using simplified macroscopic models. As the flow field over the soil can be safely considered as turbulent, it would be natural to study the detailed transient flow dynamics by means of Large Eddy Simulation (LES [1]) where the three-dimensional flow field is resolved down to the laminar sub-layer. Yet this requires very fine resolved meshes allowing a grid resolution of at least one order of magnitude below the typical grain diameter of the soil under consideration. In order to gain reliable turbulence statistics, up to several hundred eddy turnover times have to be simulated which adds up to several seconds of real time. Yet, the time scale of the receding saturated water front dynamics in the soil is on the order of hours. Thus we are faced with the task of solving a transient turbulent flow problem including the advection-diffusion of water vapour over the soil-atmospheric interface represented by a realistic tomographic reconstruction of a real porous medium taken from laboratory probes. Our flow solver is based on the Lattice Boltzmann method (LBM) [2] which has been extended by a Cumulant approach similar to the one described in [3,4] to minimize the spurious coupling between the degrees of freedom in previous LBM approaches and can be used as an implicit LES turbulence model due to its low numerical dissipation and increased stability at high Reynolds numbers. The kernel has been integrated into the research code Virtualfluids [5] and delivers up to 30% of the peak performance of modern General Purpose Graphics Processing Units (GPGPU, [6]) allowing the simulation of several minutes real-time for an LES LBM model. In our contribution we will present detailed profiles of the velocity distribution for different surface roughnesses, describe our multi-scale approach for the advection diffusion and estimate water vapour fluxes from transient simulations of the coupled problem. REFERENCES [1] J. Fröhlich and D. von Terzi. Hybrid LES/RANS methods for the simulation of turbulent flows. Progress in Aerospace Sciences, 44(5):349 - 377, 2008. [2] S. Chen and G. D. Doolen, Annual Review, of Fluid Mechanics 30, 329, 1998, [3] S. Seeger and K. H. Hoffmann, The cumulant method for computational kinetic theory, Continuum Mech. Thermodyn., 12:403-421, 2000. [4] S. Seeger and K. H. Hoffmann, The cumulant method applied to a mixture of Maxwell gases, Continuum Mech. Thermodyn., 14:321-335, 2002. [5] S. Freudiger, J. Hegewald and M. Krafczyk. A parallelisation concept for a mult-physics Lattice Boltzmann prototype based on hierarchical grids. Progress in Computational Fluid Dynamics, 8(1):168-178, 2008. [6] M. Schönherr, K. Kucher, M. Geier, M. Stiebler, S. Freudiger and M. Krafczyk, Multi- thread implementations of the Lattice Boltzmann method on non-uniform grids for CPUs and GPUs. Computers & Mathematics with Applications, 61(12):3730-3743, 2011.

Direct numerical simulation of stochastically forced laminar plane couette flow: peculiarities of hydrodynamic fluctuations.

PubMed

Khujadze, G; Oberlack, M; Chagelishvili, G

2006-07-21

The background of three-dimensional hydrodynamic (vortical) fluctuations in a stochastically forced, laminar, incompressible, plane Couette flow is simulated numerically. The fluctuating field is anisotropic and has well pronounced peculiarities: (i) the hydrodynamic fluctuations exhibit nonexponential, transient growth; (ii) fluctuations with the streamwise characteristic length scale about 2 times larger than the channel width are predominant in the fluctuating spectrum instead of streamwise constant ones; (iii) nonzero cross correlations of velocity (even streamwise-spanwise) components appear; (iv) stochastic forcing destroys the spanwise reflection symmetry (inherent to the linear and full Navier-Stokes equations in a case of the Couette flow) and causes an asymmetry of the dynamical processes.

Biomechanical investigation of naso-orbitoethmoid trauma by finite element analysis.

PubMed

Huempfner-Hierl, Heike; Schaller, Andreas; Hemprich, Alexander; Hierl, Thomas

2014-11-01

Naso-orbitoethmoid fractures account for 5% of all facial fractures. We used data derived from a white 34-year-old man to make a transient dynamic finite element model, which consisted of about 740 000 elements, to simulate fist-like impacts to this anatomically complex area. Finite element analysis showed a pattern of von Mises stresses beyond the yield criterion of bone that corresponded with fractures commonly seen clinically. Finite element models can be used to simulate injuries to the human skull, and provide information about the pathogenesis of different types of fracture. Copyright © 2014 The British Association of Oral and Maxillofacial Surgeons. Published by Elsevier Ltd. All rights reserved.

Evaluation of Cathode Air Flow Transients in a SOFC/GT Hybrid System Using Hardware in the Loop Simulation.

PubMed

Zhou, Nana; Yang, Chen; Tucker, David

2015-02-01

Thermal management in the fuel cell component of a direct fired solid oxide fuel cell gas turbine (SOFC/GT) hybrid power system can be improved by effective management and control of the cathode airflow. The disturbances of the cathode airflow were accomplished by diverting air around the fuel cell system through the manipulation of a hot-air bypass valve in open loop experiments, using a hardware-based simulation facility designed and built by the U.S. Department of Energy, National Energy Technology Laboratory (NETL). The dynamic responses of the fuel cell component and hardware component of the hybrid system were studied in this paper.

Nonmonotonic Classical Magnetoconductivity of a Two-Dimensional Electron Gas in a Disordered Array of Obstacles

NASA Astrophysics Data System (ADS)

Siboni, N. H.; Schluck, J.; Pierz, K.; Schumacher, H. W.; Kazazis, D.; Horbach, J.; Heinzel, T.

2018-02-01

Magnetotransport measurements in combination with molecular dynamics simulations on two-dimensional disordered Lorentz gases in the classical regime are reported. In quantitative agreement between experiment and simulation, the magnetoconductivity displays a pronounced peak as a function of the perpendicular magnetic field B which cannot be explained by existing kinetic theories. This peak is linked to the onset of a directed motion of the electrons along the contour of the disordered obstacle matrix when the cyclotron radius becomes smaller than the size of the obstacles. This directed motion leads to transient superdiffusive motion and strong scaling corrections in the vicinity of the insulator-to-conductor transitions of the Lorentz gas.

A transient FETI methodology for large-scale parallel implicit computations in structural mechanics

NASA Technical Reports Server (NTRS)

Farhat, Charbel; Crivelli, Luis; Roux, Francois-Xavier

1992-01-01

Explicit codes are often used to simulate the nonlinear dynamics of large-scale structural systems, even for low frequency response, because the storage and CPU requirements entailed by the repeated factorizations traditionally found in implicit codes rapidly overwhelm the available computing resources. With the advent of parallel processing, this trend is accelerating because explicit schemes are also easier to parallelize than implicit ones. However, the time step restriction imposed by the Courant stability condition on all explicit schemes cannot yet -- and perhaps will never -- be offset by the speed of parallel hardware. Therefore, it is essential to develop efficient and robust alternatives to direct methods that are also amenable to massively parallel processing because implicit codes using unconditionally stable time-integration algorithms are computationally more efficient when simulating low-frequency dynamics. Here we present a domain decomposition method for implicit schemes that requires significantly less storage than factorization algorithms, that is several times faster than other popular direct and iterative methods, that can be easily implemented on both shared and local memory parallel processors, and that is both computationally and communication-wise efficient. The proposed transient domain decomposition method is an extension of the method of Finite Element Tearing and Interconnecting (FETI) developed by Farhat and Roux for the solution of static problems. Serial and parallel performance results on the CRAY Y-MP/8 and the iPSC-860/128 systems are reported and analyzed for realistic structural dynamics problems. These results establish the superiority of the FETI method over both the serial/parallel conjugate gradient algorithm with diagonal scaling and the serial/parallel direct method, and contrast the computational power of the iPSC-860/128 parallel processor with that of the CRAY Y-MP/8 system.

Robust Nonlinear Feedback Control of Aircraft Propulsion Systems

NASA Technical Reports Server (NTRS)

Garrard, William L.; Balas, Gary J.; Litt, Jonathan (Technical Monitor)

2001-01-01

This is the final report on the research performed under NASA Glen grant NASA/NAG-3-1975 concerning feedback control of the Pratt & Whitney (PW) STF 952, a twin spool, mixed flow, after burning turbofan engine. The research focussed on the design of linear and gain-scheduled, multivariable inner-loop controllers for the PW turbofan engine using H-infinity and linear, parameter-varying (LPV) control techniques. The nonlinear turbofan engine simulation was provided by PW within the NASA Rocket Engine Transient Simulator (ROCETS) simulation software environment. ROCETS was used to generate linearized models of the turbofan engine for control design and analysis as well as the simulation environment to evaluate the performance and robustness of the controllers. Comparison between the H-infinity, and LPV controllers are made with the baseline multivariable controller and developed by Pratt & Whitney engineers included in the ROCETS simulation. Simulation results indicate that H-infinity and LPV techniques effectively achieve desired response characteristics with minimal cross coupling between commanded values and are very robust to unmodeled dynamics and sensor noise.

A nonrecursive order N preconditioned conjugate gradient: Range space formulation of MDOF dynamics

NASA Technical Reports Server (NTRS)

Kurdila, Andrew J.

1990-01-01

While excellent progress has been made in deriving algorithms that are efficient for certain combinations of system topologies and concurrent multiprocessing hardware, several issues must be resolved to incorporate transient simulation in the control design process for large space structures. Specifically, strategies must be developed that are applicable to systems with numerous degrees of freedom. In addition, the algorithms must have a growth potential in that they must also be amenable to implementation on forthcoming parallel system architectures. For mechanical system simulation, this fact implies that algorithms are required that induce parallelism on a fine scale, suitable for the emerging class of highly parallel processors; and transient simulation methods must be automatically load balancing for a wider collection of system topologies and hardware configurations. These problems are addressed by employing a combination range space/preconditioned conjugate gradient formulation of multi-degree-of-freedom dynamics. The method described has several advantages. In a sequential computing environment, the method has the features that: by employing regular ordering of the system connectivity graph, an extremely efficient preconditioner can be derived from the 'range space metric', as opposed to the system coefficient matrix; because of the effectiveness of the preconditioner, preliminary studies indicate that the method can achieve performance rates that depend linearly upon the number of substructures, hence the title 'Order N'; and the method is non-assembling. Furthermore, the approach is promising as a potential parallel processing algorithm in that the method exhibits a fine parallel granularity suitable for a wide collection of combinations of physical system topologies/computer architectures; and the method is easily load balanced among processors, and does not rely upon system topology to induce parallelism.

Simulation of transient effects in the heavy ion fusion injectors

NASA Astrophysics Data System (ADS)

Chen, Yu-Jiuan; Hewett, D. W.

1993-05-01

We have used the 2-D PIC code, GYMNOS, to study the transient behaviors in the Heavy Ion Fusion (HIF) injectors. GYMNOS simulations accurately provide the steady state Child-Langmuir current and the beam transient behavior within a planar diode. The simulations of the LBL HIF ESAC injector experiments agree well with the experimental data and EGUN steady state results. Simulations of the nominal HIF injectors have revealed the need to design the accelerating electrodes carefully to control the ion beam current, particularly the ion loss at the end of the bunch as the extraction voltage is reduced.

mocca code for star cluster simulations - VI. Bimodal spatial distribution of blue stragglers

NASA Astrophysics Data System (ADS)

Hypki, Arkadiusz; Giersz, Mirek

2017-11-01

The paper presents an analysis of formation mechanism and properties of spatial distributions of blue stragglers in evolving globular clusters, based on numerical simulations done with the mocca code. First, there are presented N-body and mocca simulations which try to reproduce the simulations presented by Ferraro et al. (2012). Then, we show the agreement between N-body and the mocca code. Finally, we discuss the formation process of the bimodal distribution. We report that we could not reproduce simulations from Ferraro et al. (2012). Moreover, we show that the so-called bimodal spatial distribution of blue stragglers is a very transient feature. It is formed for one snapshot in time and it can easily vanish in the next one. Moreover, we show that the radius of avoidance proposed by Ferraro et al. (2012) goes out of sync with the apparent minimum of the bimodal distribution after about two half-mass relaxation times (without finding out what is the reason for that). This finding creates a real challenge for the dynamical clock, which uses this radius to determine the dynamical age of globular clusters. Additionally, the paper discusses a few important problems concerning the apparent visibilities of the bimodal distributions, which have to be taken into account while studying the spatial distributions of blue stragglers.

Numerical calculation and analysis of radial force on the single-action vane pump

NASA Astrophysics Data System (ADS)

Y He, Y.; Y Kong, F.

2013-12-01

Unbalanced radial force is a serious adversity that restricts the working pressure and reduces service life of the single-action vane pump. For revealing and predicting the distribution of radial force on the rotor, a numerical simulation about its transient flow field was performed by using dynamic mesh method with RNG κ ε-turbulent model. The details of transient flow characteristic and pressure fluctuation were obtained, and the radial force and periodic variation can be calculated based on the details. The results show: the radial force has a close relationship with the pressure pulsation; the radial force can be reduced drastically by optimizing the angle of port plate and installing the V-shaped cavity; if the odd number vanes are chosen, it will help reduce the radial force of rotor and optimize the pressure fluctuation effectively.

The exotic remnants of compact object binary mergers

NASA Astrophysics Data System (ADS)

Duez, Matthew

2017-01-01

The collision and merger of a neutron star with a black hole or another neutron star is a strong source of gravitational waves and a promising setup for the creation of bright infrared (kilonova) and gamma ray (gamma ray burst) transients. These violent events can be modeled by numerical simulations incorporating general relativity, fluid dynamics, and nuclear physics. In this talk, I will explain the findings of some of these simulations. Depending on the properties of the binary, the merger leaves a black hole, a black hole accreting matter from a torus at an incredible rate, or a massive spinning neutron star. The latter two cases are characterized by the importance of differential rotation, magnetohydrodynamic processes, and neutrino radiation. To understand these systems, I will focus on what we know of their dynamical and thermal equilibrium structure, what we know of the dynamical instabilities to which they might be prone, and what we can tentatively say about their subsequent secular evolution from outflow, magnetic, radiative, and other effects. Computer simulations are becoming ever more impressive but remain unequal to the problem at hand, so I will address the challenges still posed by small-scale magnetohydrodynamic effects and by radiation transport. The author is a member of the SXS Collaboration and acknowledges support from NSF.

Laboratory simulations show diabatic heating drives cumulus-cloud evolution and entrainment

PubMed Central

Narasimha, Roddam; Diwan, Sourabh Suhas; Duvvuri, Subrahmanyam; Sreenivas, K. R.; Bhat, G. S.

2011-01-01

Clouds are the largest source of uncertainty in climate science, and remain a weak link in modeling tropical circulation. A major challenge is to establish connections between particulate microphysics and macroscale turbulent dynamics in cumulus clouds. Here we address the issue from the latter standpoint. First we show how to create bench-scale flows that reproduce a variety of cumulus-cloud forms (including two genera and three species), and track complete cloud life cycles—e.g., from a “cauliflower” congestus to a dissipating fractus. The flow model used is a transient plume with volumetric diabatic heating scaled dynamically to simulate latent-heat release from phase changes in clouds. Laser-based diagnostics of steady plumes reveal Riehl–Malkus type protected cores. They also show that, unlike the constancy implied by early self-similar plume models, the diabatic heating raises the Taylor entrainment coefficient just above cloud base, depressing it at higher levels. This behavior is consistent with cloud-dilution rates found in recent numerical simulations of steady deep convection, and with aircraft-based observations of homogeneous mixing in clouds. In-cloud diabatic heating thus emerges as the key driver in cloud development, and could well provide a major link between microphysics and cloud-scale dynamics. PMID:21918112

Kinetics of transient electroluminescence in organic light emitting diodes

NASA Astrophysics Data System (ADS)

Shukla, Manju; Kumar, Pankaj; Chand, Suresh; Brahme, Nameeta; Kher, R. S.; Khokhar, M. S. K.

2008-08-01

Mathematical simulation on the rise and decay kinetics of transient electroluminescence (EL) in organic light emitting diodes (OLEDs) is presented. The transient EL is studied with respect to a step voltage pulse. While rising, for lower values of time, the EL intensity shows a quadratic dependence on (t - tdel), where tdel is the time delay observed in the onset of EL, and finally attains saturation at a sufficiently large time. When the applied voltage is switched off, the initial EL decay shows an exponential dependence on (t - tdec), where tdec is the time when the voltage is switched off. The simulated results are compared with the transient EL performance of a bilayer OLED based on small molecular bis(2-methyl 8-hydroxyquinoline)(triphenyl siloxy) aluminium (SAlq). Transient EL studies have been carried out at different voltage pulse amplitudes. The simulated results show good agreement with experimental data. Using these simulated results the lifetime of the excitons in SAlq has also been calculated.

Transient electro-thermal characterization of Si-Ge heterojunction bipolar transistors

NASA Astrophysics Data System (ADS)

Sahoo, Amit Kumar; Weiß, Mario; Fregonese, Sébastien; Malbert, Nathalie; Zimmer, Thomas

2012-08-01

In this paper, a comprehensive evaluation of the transient self-heating in microwave heterojunction bipolar transistors (HBTs) have been carried out through simulations and measurements. Three dimensional thermal TCAD simulations have been performed to investigate precisely the influence of backend metallization on transient thermal behavior of a submicron SiGe:C BiCMOS technology with fT and fmax of 230 GHz and 290 GHz, respectively. Transient variation of Collector current caused by self-heating is obtained through pulse measurements. For thermal characterization, different electro-thermal networks have been employed at the temperature node of HiCuM compact model. Thermal parameters have been extracted by means of compact model simulation using a scalable transistor library. It has been shown that, the conventional R-C thermal network is not sufficient to accurately model the transient thermal spreading behavior and therefore a recursive network needs to be used. Recursive network is verified with device simulations as well as measurements and found to be in excellent agreement.

Order reduction, identification and localization studies of dynamical systems

NASA Astrophysics Data System (ADS)

Ma, Xianghong

In this thesis methods are developed for performing order reduction, system identification and induction of nonlinear localization in complex mechanical dynamic systems. General techniques are proposed for constructing low-order models of linear and nonlinear mechanical systems; in addition, novel mechanical designs are considered for inducing nonlinear localization phenomena for the purpose of enhancing their dynamical performance. The thesis is in three major parts. In the first part, the transient dynamics of an impulsively loaded multi-bay truss is numerically computed by employing the Direct Global Matrix (DGM) approach. The approach is applicable to large-scale flexible structures with periodicity. Karhunen-Loeve (K-L) decomposition is used to discretize the dynamics of the truss and to create the low-order models of the truss. The leading order K-L modes are recovered by an experiment, which shows the feasibility of K-L based order reduction technique. In the second part of the thesis, nonlinear localization in dynamical systems is studied through two applications. In the seismic base isolation study, it is shown that the dynamics are sensitive to the presence of nonlinear elements and that passive motion confinement can be induced under proper design. In the coupled rod system, numerical simulation of the transient dynamics shows that a nonlinear backlash spring can induce either nonlinear localization or delocalization in the form of beat phenomena. K-L decomposition and poincare maps are utilized to study the nonlinear effects. The study shows that nonlinear localization can be induced in complex structures through backlash. In the third and final part of the thesis, a new technique based on Green!s function method is proposed to identify the dynamics of practical bolted joints. By modeling the difference between the dynamics of the bolted structure and the corresponding unbolted one, one constructs a nonparametric model for the joint dynamics. Two applications are given with a bolted beam and a truss joint in order to show the applicability of the technique.

Analog-digital simulation of transient-induced logic errors and upset susceptibility of an advanced control system

NASA Technical Reports Server (NTRS)

Carreno, Victor A.; Choi, G.; Iyer, R. K.

1990-01-01

A simulation study is described which predicts the susceptibility of an advanced control system to electrical transients resulting in logic errors, latched errors, error propagation, and digital upset. The system is based on a custom-designed microprocessor and it incorporates fault-tolerant techniques. The system under test and the method to perform the transient injection experiment are described. Results for 2100 transient injections are analyzed and classified according to charge level, type of error, and location of injection.

Ultrafast carrier dynamics of titanic acid nanotubes investigated by transient absorption spectroscopy.

PubMed

Wang, Li; Zhao, Hui; Pan, Lin Yun; Weng, Yu Xiang; Nakato, Yoshihiro; Tamai, Naoto

2010-12-01

Carrier dynamics of titanic acid nanotubes (phase of H2Ti2O5.H2O) deposited on a quartz plate was examined by visible/near-IR transient absorption spectroscopy with an ultraviolet excitation. The carrier dynamics of titanic acid nanotubes follows the fast trapping process which attributed to the intrinsic tubular structure, the relaxation of shallow trapped carriers and the recombination as a second-order kinetic process. Transient absorption of titanic acid nanotubes was dominated by the absorption of surface-trapped holes in visible region around 500 nm, which was proved by the faster decay dynamics in the presence of polyvinyl alcohol as a hole-scavenger. However, the slow relaxation of free carriers was much more pronounced in the TiO2 single crystals, as compared with the transient absorption spectra of titanic acid nanotubes under the similar excitation.

Protein-Ligand Interaction Detection with a Novel Method of Transient Induced Molecular Electronic Spectroscopy (TIMES): Experimental and Theoretical Studies.

PubMed

Zhang, Tiantian; Wei, Tao; Han, Yuanyuan; Ma, Heng; Samieegohar, Mohammadreza; Chen, Ping-Wei; Lian, Ian; Lo, Yu-Hwa

2016-11-23

Protein-ligand interaction detection without disturbances (e.g., surface immobilization, fluorescent labeling, and crystallization) presents a key question in protein chemistry and drug discovery. The emergent technology of transient induced molecular electronic spectroscopy (TIMES), which incorporates a unique design of microfluidic platform and integrated sensing electrodes, is designed to operate in a label-free and immobilization-free manner to provide crucial information for protein-ligand interactions in relevant physiological conditions. Through experiments and theoretical simulations, we demonstrate that the TIMES technique actually detects protein-ligand binding through signals generated by surface electric polarization. The accuracy and sensitivity of experiments were demonstrated by precise measurements of dissociation constant of lysozyme and N -acetyl-d-glucosamine (NAG) ligand and its trimer, NAG 3 . Computational fluid dynamics (CFD) computation is performed to demonstrate that the surface's electric polarization signal originates from the induced image charges during the transition state of surface mass transport, which is governed by the overall effects of protein concentration, hydraulic forces, and surface fouling due to protein adsorption. Hybrid atomistic molecular dynamics (MD) simulations and free energy computation show that ligand binding affects lysozyme structure and stability, producing different adsorption orientation and surface polarization to give the characteristic TIMES signals. Although the current work is focused on protein-ligand interactions, the TIMES method is a general technique that can be applied to study signals from reactions between many kinds of molecules.

Automated Fluid Feature Extraction from Transient Simulations

NASA Technical Reports Server (NTRS)

Haimes, Robert; Lovely, David

1999-01-01

In the past, feature extraction and identification were interesting concepts, but not required to understand the underlying physics of a steady flow field. This is because the results of the more traditional tools like iso-surfaces, cuts and streamlines were more interactive and easily abstracted so they could be represented to the investigator. These tools worked and properly conveyed the collected information at the expense of much interaction. For unsteady flow-fields, the investigator does not have the luxury of spending time scanning only one "snap-shot" of the simulation. Automated assistance is required in pointing out areas of potential interest contained within the flow. This must not require a heavy compute burden (the visualization should not significantly slow down the solution procedure for co-processing environments like pV3). And methods must be developed to abstract the feature and display it in a manner that physically makes sense. The following is a list of the important physical phenomena found in transient (and steady-state) fluid flow: (1) Shocks, (2) Vortex cores, (3) Regions of recirculation, (4) Boundary layers, (5) Wakes. Three papers and an initial specification for the (The Fluid eXtraction tool kit) FX Programmer's guide were included. The papers, submitted to the AIAA Computational Fluid Dynamics Conference, are entitled : (1) Using Residence Time for the Extraction of Recirculation Regions, (2) Shock Detection from Computational Fluid Dynamics results and (3) On the Velocity Gradient Tensor and Fluid Feature Extraction.

Feedbacks between managed irrigation and water availability: Diagnosing temporal and spatial patterns using an integrated hydrologic model

NASA Astrophysics Data System (ADS)

Condon, Laura E.; Maxwell, Reed M.

2014-03-01

Groundwater-fed irrigation has been shown to deplete groundwater storage, decrease surface water runoff, and increase evapotranspiration. Here we simulate soil moisture-dependent groundwater-fed irrigation with an integrated hydrologic model. This allows for direct consideration of feedbacks between irrigation demand and groundwater depth. Special attention is paid to system dynamics in order to characterized spatial variability in irrigation demand and response to increased irrigation stress. A total of 80 years of simulation are completed for the Little Washita Basin in Southwestern Oklahoma, USA spanning a range of agricultural development scenarios and management practices. Results show regionally aggregated irrigation impacts consistent with other studies. However, here a spectral analysis reveals that groundwater-fed irrigation also amplifies the annual streamflow cycle while dampening longer-term cyclical behavior with increased irrigation during climatological dry periods. Feedbacks between the managed and natural system are clearly observed with respect to both irrigation demand and utilization when water table depths are within a critical range. Although the model domain is heterogeneous with respect to both surface and subsurface parameters, relationships between irrigation demand, water table depth, and irrigation utilization are consistent across space and between scenarios. Still, significant local heterogeneities are observed both with respect to transient behavior and response to stress. Spatial analysis of transient behavior shows that farms with groundwater depths within a critical depth range are most sensitive to management changes. Differences in behavior highlight the importance of groundwater's role in system dynamics in addition to water availability.

Molecular mechanism for lipid flip-flops.

PubMed

Gurtovenko, Andrey A; Vattulainen, Ilpo

2007-12-06

Transmembrane lipid translocation (flip-flop) processes are involved in a variety of properties and functions of cell membranes, such as membrane asymmetry and programmed cell death. Yet, flip-flops are one of the least understood dynamical processes in membranes. In this work, we elucidate the molecular mechanism of pore-mediated transmembrane lipid translocation (flip-flop) acquired from extensive atomistic molecular dynamics simulations. On the basis of 50 successful flip-flop events resolved in atomic detail, we demonstrate that lipid flip-flops may spontaneously occur in protein-free phospholipid membranes under physiological conditions through transient water pores on a time scale of tens of nanoseconds. While the formation of a water pore is induced here by a transmembrane ion density gradient, the particular way by which the pore is formed is irrelevant for the reported flip-flop mechanism: the appearance of a transient pore (defect) in the membrane inevitably leads to diffusive translocation of lipids through the pore, which is driven by thermal fluctuations. Our findings strongly support the idea that the formation of membrane defects in terms of water pores is the rate-limiting step in the process of transmembrane lipid flip-flop, which, on average, requires several hours. The findings are consistent with available experimental and computational data and provide a view to interpret experimental observations. For example, the simulation results provide a molecular-level explanation in terms of pores for the experimentally observed fact that the exposure of lipid membranes to electric field pulses considerably reduces the time required for lipid flip-flops.

Active control of flexible structures using a fuzzy logic algorithm

NASA Astrophysics Data System (ADS)

Cohen, Kelly; Weller, Tanchum; Ben-Asher, Joseph Z.

2002-08-01

This study deals with the development and application of an active control law for the vibration suppression of beam-like flexible structures experiencing transient disturbances. Collocated pairs of sensors/actuators provide active control of the structure. A design methodology for the closed-loop control algorithm based on fuzzy logic is proposed. First, the behavior of the open-loop system is observed. Then, the number and locations of collocated actuator/sensor pairs are selected. The proposed control law, which is based on the principles of passivity, commands the actuator to emulate the behavior of a dynamic vibration absorber. The absorber is tuned to a targeted frequency, whereas the damping coefficient of the dashpot is varied in a closed loop using a fuzzy logic based algorithm. This approach not only ensures inherent stability associated with passive absorbers, but also circumvents the phenomenon of modal spillover. The developed controller is applied to the AFWAL/FIB 10 bar truss. Simulated results using MATLAB© show that the closed-loop system exhibits fairly quick settling times and desirable performance, as well as robustness characteristics. To demonstrate the robustness of the control system to changes in the temporal dynamics of the flexible structure, the transient response to a considerably perturbed plant is simulated. The modal frequencies of the 10 bar truss were raised as well as lowered substantially, thereby significantly perturbing the natural frequencies of vibration. For these cases, too, the developed control law provides adequate settling times and rates of vibrational energy dissipation.

Documentation of a computer program to simulate transient leakage from confining units using the modular finite-difference, ground-water flow model

USGS Publications Warehouse

Leake, S.A.; Leahy, P.P.; Navoy, A.S.

1994-01-01

Transient leakage into or out of a compressible fine-grained confining unit results from ground- water storage changes within the unit. The computer program described in this report provides a new method of simulating transient leakage using the U.S. Geological Survey modular finite- difference ground-water flow model (MODFLOW). The new program is referred to as the Transient- Leakage Package. The Transient-Leakage Package solves integrodifferential equations that describe flow across the upper and lower boundaries of confining units. For each confining unit, vertical hydraulic conductivity, thickness, and specific storage are specified in input arrays. These properties can vary from cell to cell and the confining unit need not be present at all locations in the grid; however, the confining units must be bounded above and below by model layers in which head is calculated or specified. The package was used in an example problem to simulate drawdown around a pumping well in a system with two aquifers separated by a confining unit. For drawdown values in excess of 1 centimeter, the solution using the new package closely matched an exact analytical solution. The problem also was simulated without the new package by using a separate model layer to represent the confining unit. That simulation was refined by using two model layers to represent the confining unit. The simulation using the Transient-Leakage Package was faster and more accurate than either of the simulations using model layers to represent the confining unit.

Guide to the Revised Ground-Water Flow and Heat Transport Simulator: HYDROTHERM - Version 3

USGS Publications Warehouse

Kipp, Kenneth L.; Hsieh, Paul A.; Charlton, Scott R.

2008-01-01

The HYDROTHERM computer program simulates multi-phase ground-water flow and associated thermal energy transport in three dimensions. It can handle high fluid pressures, up to 1 ? 109 pascals (104 atmospheres), and high temperatures, up to 1,200 degrees Celsius. This report documents the release of Version 3, which includes various additions, modifications, and corrections that have been made to the original simulator. Primary changes to the simulator include: (1) the ability to simulate unconfined ground-water flow, (2) a precipitation-recharge boundary condition, (3) a seepage-surface boundary condition at the land surface, (4) the removal of the limitation that a specified-pressure boundary also have a specified temperature, (5) a new iterative solver for the linear equations based on a generalized minimum-residual method, (6) the ability to use time- or depth-dependent functions for permeability, (7) the conversion of the program code to Fortran 90 to employ dynamic allocation of arrays, and (8) the incorporation of a graphical user interface (GUI) for input and output. The graphical user interface has been developed for defining a simulation, running the HYDROTHERM simulator interactively, and displaying the results. The combination of the graphical user interface and the HYDROTHERM simulator forms the HYDROTHERM INTERACTIVE (HTI) program. HTI can be used for two-dimensional simulations only. New features in Version 3 of the HYDROTHERM simulator have been verified using four test problems. Three problems come from the published literature and one problem was simulated by another partially saturated flow and thermal transport simulator. The test problems include: transient partially saturated vertical infiltration, transient one-dimensional horizontal infiltration, two-dimensional steady-state drainage with a seepage surface, and two-dimensional drainage with coupled heat transport. An example application to a hypothetical stratovolcano system with unconfined ground-water flow is presented in detail. It illustrates the use of HTI with the combination precipitation-recharge and seepage-surface boundary condition, and functions as a tutorial example problem for the new user.

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.

Fundamental differences between glassy dynamics in two and three dimensions.

PubMed

Flenner, Elijah; Szamel, Grzegorz

2015-06-12

The two-dimensional freezing transition is very different from its three-dimensional counterpart. In contrast, the glass transition is usually assumed to have similar characteristics in two and three dimensions. Using computer simulations, here we show that glassy dynamics in supercooled two- and three-dimensional fluids are fundamentally different. Specifically, transient localization of particles on approaching the glass transition is absent in two dimensions, whereas it is very pronounced in three dimensions. Moreover, the temperature dependence of the relaxation time of orientational correlations is decoupled from that of the translational relaxation time in two dimensions but not in three dimensions. Last, the relationships between the characteristic size of dynamically heterogeneous regions and the relaxation time are very different in two and three dimensions. These results strongly suggest that the glass transition in two dimensions is different than in three dimensions.

Assessment of Different Turbulence Models for the Motion of Non-metallic Inclusion in Induction Crucible Furnace

NASA Astrophysics Data System (ADS)

Barati, H.; Wu, M.; Kharicha, A.; Ludwig, A.

2016-07-01

Turbulent fluid flow due to the electromagnetic forces in induction crucible furnace (ICF) is modeled using k-ɛ, k-ω SST and Large Eddy Simulation (LES) turbulence models. Fluid flow patterns calculated by different turbulence models and their effects on the motion of non-metallic inclusions (NMI) in the bulk melt have been investigated. Results show that the conventional k-ɛ model cannot solve the transient flow in ICF properly. With k-ω model transient flow and oscillation behavior of the flow pattern can be solved, and the motion of NMI can be tracked fairly well. LES model delivers the best modeling result on both details of the transient flow pattern and motion trajectories of NMI without the limitation of NMI size. The drawback of LES model is the long calculation time. Therefore, for general purpose to estimate the dynamic behavior of NMI in ICF both k-ω SST and LES are recommended. For the precise calculation of the motion of NMI smaller than 10 μm only LES model is appropriate.

Understanding Epileptiform After-Discharges as Rhythmic Oscillatory Transients.

PubMed

Baier, Gerold; Taylor, Peter N; Wang, Yujiang

2017-01-01

Electro-cortical activity in patients with epilepsy may show abnormal rhythmic transients in response to stimulation. Even when using the same stimulation parameters in the same patient, wide variability in the duration of transient response has been reported. These transients have long been considered important for the mapping of the excitability levels in the epileptic brain but their dynamic mechanism is still not well understood. To investigate the occurrence of abnormal transients dynamically, we use a thalamo-cortical neural population model of epileptic spike-wave activity and study the interaction between slow and fast subsystems. In a reduced version of the thalamo-cortical model, slow wave oscillations arise from a fold of cycles (FoC) bifurcation. This marks the onset of a region of bistability between a high amplitude oscillatory rhythm and the background state. In vicinity of the bistability in parameter space, the model has excitable dynamics, showing prolonged rhythmic transients in response to suprathreshold pulse stimulation. We analyse the state space geometry of the bistable and excitable states, and find that the rhythmic transient arises when the impending FoC bifurcation deforms the state space and creates an area of locally reduced attraction to the fixed point. This area essentially allows trajectories to dwell there before escaping to the stable steady state, thus creating rhythmic transients. In the full thalamo-cortical model, we find a similar FoC bifurcation structure. Based on the analysis, we propose an explanation of why stimulation induced epileptiform activity may vary between trials, and predict how the variability could be related to ongoing oscillatory background activity. We compare our dynamic mechanism with other mechanisms (such as a slow parameter change) to generate excitable transients, and we discuss the proposed excitability mechanism in the context of stimulation responses in the epileptic cortex.

The decay process of rotating unstable systems through the passage time distribution

NASA Astrophysics Data System (ADS)

Jiménez-Aquino, J. I.; Cortés, Emilio; Aquino, N.

2001-05-01

In this work we propose a general scheme to characterize, through the passage time distribution, the decay process of rotational unstable systems in the presence of external forces of large amplitude. The formalism starts with a matricial Langevin type equation formulated in the context of two dynamical representations given, respectively, by the vectors x and y, both related by a time dependent rotation matrix. The transformation preserves the norm of the vector and decouples the set of dynamical equations in the transformed space y. We study the dynamical characterization of the systems of two variables and show that the statistical properties of the passage time distribution are essentially equivalent in both dynamics. The theory is applied to the laser system studied in Dellunde et al. (Opt. Commun. 102 (1993) 277), where the effect of large injected signals on the transient dynamics of the laser has been studied in terms of complex electric field. The analytical results are compared with numerical simulation.

Power output and carrier dynamics studies of perovskite solar cells under working conditions.

PubMed

Yu, Man; Wang, Hao-Yi; Hao, Ming-Yang; Qin, Yujun; Fu, Li-Min; Zhang, Jian-Ping; Ai, Xi-Cheng

2017-08-02

Perovskite solar cells have emerged as promising photovoltaic systems with superb power conversion efficiency. For the practical application of perovskite devices, the greatest concerns are the power output density and the related dynamics under working conditions. In this study, the working conditions of planar and mesoscopic perovskite solar cells are simulated and the power output density evolutions with the working voltage are highlighted. The planar device exhibits higher capability of outputting power than the mesoscopic one. The transient photoelectric conversion dynamics are investigated under the open circuit, short circuit and working conditions. It is found that the power output and dynamic processes are correlated intrinsically, which suggests that the power output is the competitive result of the charge carrier recombination and transport. The present work offers a unique view to elucidating the relationship between the power output and the charge carrier dynamics for perovskite solar cells in a comprehensive manner, which would be beneficial to their future practical applications.

The Role of Linkers in the Excited-State Dynamic Planarization Processes of Macrocyclic Oligothiophene 12-Mers.

PubMed

Kim, Woojae; Sung, Jooyoung; Park, Kyu Hyung; Shimizu, Hideyuki; Imamura, Mika; Han, Minwoo; Sim, Eunji; Iyoda, Masahiko; Kim, Dongho

2015-11-05

Linkers adjoining chromophores play an important role in modulating the structure of conjugated systems, which is bound up with their photophysical properties. However, to date, the focus of works dealing with linker effects was limited only to linear π-conjugated materials, and there have been no detailed studies on cyclic counterparts. Herein we report the linker effects on the dynamic planarization processes of π-conjugated macrocyclic oligothiophene 12-mers, where the different ratio between ethynylene and vinylene linkers was chosen to control the backbone rigidity. By analyzing transient fluorescence spectra, we demonstrate that the connecting linkers play a crucial role in the excited-state dynamics of cyclic conjugated systems. Faster dynamic planarization, longer exciton delocalization length, and higher degree of planarity were observed in vinylene inserted cyclic oligothiophenes. Molecular dynamics simulations and density functional theory calculations also stress the importance of the role of linkers in modulating the structure of cyclic oligothiophenes.

Colloidal Asphaltene Deposition and Aggregation in Capillary Flow: Experiments and Mesoscopic Simulation

NASA Astrophysics Data System (ADS)

Boek, Edo S.; Ladva, Hemant K.; Crawshaw, John P.; Padding, Johan T.

2008-07-01

The aggregation and deposition of colloidal asphaltene in reservoir rock is a significant problem in the oil industry. To obtain a fundamental understanding of this phenomenon, we have studied the deposition and aggregation of colloidal asphaltene in capillary flow by experiment and simulation. For the simulation, we have used the stochastic rotation dynamics (SRD) method, in which the solvent hydrodynamic emerges from the collisions between the solvent particles, while the Brownian motion emerges naturally from the interactions between the colloidal asphaltene particles and the solvent. The asphaltene colloids interact through a screened Coulomb potential. We vary the well depth ɛ∝ and the flow rate v to obtain Peflow≫1 (hydrodynamic interactions dominate) and Re≪1 (Stokes flow). In the simulations, we impose a pressure drop over the capillary length and measure the corresponding solvent flow rate. We observe that the transient solvent flow rate decreases when the asphaltene particles become more "sticky". For a well depth ɛ∝ = 2kBT, a monolayer deposits on the capillary wall. With an increasing well depth, the capillary becomes totally blocked. The clogging is transient for ɛ∝ = 5kBT, but appears to be permanent for ɛ∝ = 10-20 kBT. We compare our simulation results with flow experiments in glass capillaries, where we use extracted asphaltenes in toluene, reprecipitated with n-heptane. In the experiments, the dynamics of asphaltene precipitation and deposition were monitored in a slot capillary using optical microscopy under flow conditions similar to those used in the simulation. Maintaining a constant flow rate of 5 μL min-1, we found that the pressure drop across the capillary first increased slowly, followed by a sharp increase, corresponding to a complete local blockage of the capillary. Doubling the flow rate to 10 μL min-1, we observe that the initial deposition occurs faster but the deposits are subsequently entrained by the flow. We calculate the change in the dimensionless permeability as a function of time for both experiment and simulation. By matching the experimental and simulation results, we obtain information about (1) the interaction potential well depth for the particular asphaltenes used in the experiments and (2) the flow conditions associated with the asphaltene deposition process.

A Large Signal Model for CMUT Arrays with Arbitrary Membrane Geometries Operating in Non-Collapsed Mode

PubMed Central

Satir, Sarp; Zahorian, Jaime; Degertekin, F. Levent

2014-01-01

A large signal, transient model has been developed to predict the output characteristics of a CMUT array operated in the non-collapse mode. The model is based on separation of the nonlinear electrostatic voltage-to-force relation and the linear acoustic array response. For linear acoustic radiation and crosstalk effects, the boundary element method is used. The stiffness matrix in the vibroacoustics calculations is obtained using static finite element analysis of a single membrane which can have arbitrary geometry and boundary conditions. A lumped modeling approach is used to reduce the order of the system for modeling the transient nonlinear electrostatic actuation. To accurately capture the dynamics of the non-uniform electrostatic force distribution over the CMUT electrode during large deflections, the membrane electrode is divided into patches shaped to match higher order membrane modes, each introducing a variable to the system model. This reduced order nonlinear lumped model is solved in the time domain using Simulink. The model has two linear blocks to calculate the displacement profile of the electrode patches and the output pressure for a given force distribution over the array, respectively. The force to array displacement block uses the linear acoustic model, and the Rayleigh integral is evaluated to calculate the pressure at any field point. Using the model, the transient transmitted pressure can be simulated for different large signal drive signal configurations. The acoustic model is verified by comparison to harmonic FEA in vacuum and fluid for high and low aspect ratio membranes as well as mass-loaded membranes. The overall Simulink model is verified by comparison to transient 3D FEA and experimental results for different large drive signals; and an example for a phased array simulation is given. PMID:24158297

Simulations with current constraints of ELM-induced tungsten melt motion in ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Thorén, E.; Bazylev, B.; Ratynskaia, S.; Tolias, P.; Krieger, K.; Pitts, R. A.; Pestchanyi, S.; Komm, M.; Sieglin, B.; the EUROfusion MST1 Team; the ASDEX Upgrade Team

2017-12-01

Melt motion simulations of recent ASDEX Upgrade experiments on transient-induced melting of a tungsten leading edge during ELMing H-mode are performed with the incompressible fluid dynamics code MEMOS 3D. The total current flowing through the sample was measured in these experiments providing an important constraint for the simulations since thermionic emission is considered to be responsible for the replacement current driving melt motion. To allow for a reliable comparison, the description of the space-charge limited regime of thermionic emission has been updated in the code. The effect of non-periodic aspects of the spatio-temporal heat flux in the temperature distribution and melt characteristics as well as the importance of current limitation are investigated. The results are compared with measurements of the total current and melt profile.

Coupling vibration research on Vehicle-bridge system

NASA Astrophysics Data System (ADS)

Zhou, Jiguo; Wang, Guihua

2018-01-01

The vehicle-bridge coupling system forms when vehicle running on a bridge. It will generate a relatively large influence on the driving comfort and driving safe when the vibration of the vehicle is bigger. A three-dimensional vehicle-bridge system with biaxial seven degrees of freedom has been establish in this paper based on finite numerical simulation. Adopting the finite element transient numerical simulation to realize the numerical simulation of vehicle-bridge system coupling vibration. Then, analyze the dynamic response of vehicle and bridge while different numbers of vehicles running on the bridge. Got the variation rule of vertical vibration of car body and bridge, and that of the contact force between the wheel and bridge deck. The research results have a reference value for the analysis about the vehicle running on a large-span cabled bridge.

Characterizing SI Engine Transient Fuel Consumption in ...

EPA Pesticide Factsheets

Examine typical transient engine operation encountered over the EPA's vehicle and engine testing drive cycles to characterize that transient fuel usage, and then describe the changes made to ALPHA to better model transient engine operation. To present an approach to capture dynamic fuel consumption during engine transients and then implement these identified characteristics in ALPHA.

An IBM PC-based math model for space station solar array simulation

NASA Technical Reports Server (NTRS)

Emanuel, E. M.

1986-01-01

This report discusses and documents the design, development, and verification of a microcomputer-based solar cell math model for simulating the Space Station's solar array Initial Operational Capability (IOC) reference configuration. The array model is developed utilizing a linear solar cell dc math model requiring only five input parameters: short circuit current, open circuit voltage, maximum power voltage, maximum power current, and orbit inclination. The accuracy of this model is investigated using actual solar array on orbit electrical data derived from the Solar Array Flight Experiment/Dynamic Augmentation Experiment (SAFE/DAE), conducted during the STS-41D mission. This simulator provides real-time simulated performance data during the steady state portion of the Space Station orbit (i.e., array fully exposed to sunlight). Eclipse to sunlight transients and shadowing effects are not included in the analysis, but are discussed briefly. Integrating the Solar Array Simulator (SAS) into the Power Management and Distribution (PMAD) subsystem is also discussed.

Transient Analysis of Pressurization and Pneumatic Subsystems of the X-34 Main Propulsion System

NASA Technical Reports Server (NTRS)

Hedayat, A.; Knight, K. C.; Chamption, R. H., Jr.; Kennedy, Jim W. (Technical Monitor)

2000-01-01

Transient models for the pressurization, vent/relief, and pneumatic subsystems of the X-34 Main Propulsion System are presented and simulation of their operation within prescribed requirements are provided. First, using ROCket Engine Transient Simulation (ROCETS) program, pressurization subsystem operation was simulated and helium requirements and the ullage thermodynamic condition within each propellant tank were calculated. Then, Overpressurization scenarios of propellant tanks and the response of vent/relief valves were evaluated using ROCETS simulation of simultaneous operation of the pressurization and vent/relief subsystems by incorporating the valves data into the model. Finally, the ROCETS simulation of in-flight operation of pneumatic subsystem predicted the overall helium consumption, Inter-Propellant Seal (IPS) purge flowrate and thermodynamic conditions, and Spin Start power.

Dynamic Coupling Between Respiratory and Cardiovascular System

NASA Astrophysics Data System (ADS)

Censi, Federica; Calcagnini, Giovanni; Cerutti, Sergio

The analysis of non-linear dynamics of the coupling among interacting quantities can be very useful for understanding the cardiorespiratory and cardiovascular control mechanisms. In this chapter RP is used to detect and quantify the degree of non-linear coupling between respiration and spontaneous rhythms of both heart rate and blood pressure variability signals. RQA turned out to be suitable for a quantitative evaluation of the observed coupling patterns among rhythms, both in simulated and real data, providing different degrees of coupling. The results from the simulated data showed that the increased degree of coupling between the signals was marked by the increase of PR and PD, and by the decrease of ER. When the RQA was applied to experimental data, PD and ER turned out to be the most significant variables, compared to PR. A remarkable finding is the detection of transient 1:2 PL episodes between respiration and cardiovascular variability signals. This phenomenon can be associated to a sub-harmonic synchronization between the two main rhythms of HR and BP variability series.

Occupant Responses in a Full-Scale Crash Test of the Sikorsky ACAP Helicopter

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Boitnott, Richard L.; McEntire, Joseph; Lewis, Alan

2002-01-01

A full-scale crash test of the Sikorsky Advanced Composite Airframe Program (ACAP) helicopter was performed in 1999 to generate experimental data for correlation with a crash simulation developed using an explicit nonlinear, transient dynamic finite element code. The airframe was the residual flight test hardware from the ACAP program. For the test, the aircraft was outfitted with two crew and two troop seats, and four anthropomorphic test dummies. While the results of the impact test and crash simulation have been documented fairly extensively in the literature, the focus of this paper is to present the detailed occupant response data obtained from the crash test and to correlate the results with injury prediction models. These injury models include the Dynamic Response Index (DRI), the Head Injury Criteria (HIC), the spinal load requirement defined in FAR Part 27.562(c), and a comparison of the duration and magnitude of the occupant vertical acceleration responses with the Eiband whole-body acceleration tolerance curve.

First Lunar Wake Passage of ARTEMIS: Discrimination of Wake Effects and Solar Wind Fluctuations by 3D Hybrid Simulations

NASA Technical Reports Server (NTRS)

Wiehle, S.; Plaschke, F.; Motschmann, U.; Glassmeier, K. H.; Auster, H. U.; Angelopoulos, V.; Mueller, J.; Kriegel, H.; Georgescu, E.; Halekas, J.;

Toward elucidating the heat activation mechanism of the TRPV1 channel gating by molecular dynamics simulation.

PubMed

Wen, Han; Qin, Feng; Zheng, Wenjun

2016-12-01

As a key cellular sensor, the TRPV1 cation channel undergoes a gating transition from a closed state to an open state in response to various physical and chemical stimuli including noxious heat. Despite years of study, the heat activation mechanism of TRPV1 gating remains enigmatic at the molecular level. Toward elucidating the structural and energetic basis of TRPV1 gating, we have performed molecular dynamics (MD) simulations (with cumulative simulation time of 3 μs), starting from the high-resolution closed and open structures of TRPV1 solved by cryo-electron microscopy. In the closed-state simulations at 30°C, we observed a stably closed channel constricted at the lower gate (near residue I679), while the upper gate (near residues G643 and M644) is dynamic and undergoes flickery opening/closing. In the open-state simulations at 60°C, we found higher conformational variation consistent with a large entropy increase required for the heat activation, and both the lower and upper gates are dynamic with transient opening/closing. Through ensemble-based structural analyses of the closed state versus the open state, we revealed pronounced closed-to-open conformational changes involving the membrane proximal domain (MPD) linker, the outer pore, and the TRP helix, which are accompanied by breaking/forming of a network of closed/open-state specific hydrogen bonds. By comparing the closed-state simulations at 30°C and 60°C, we observed heat-activated conformational changes in the MPD linker, the outer pore, and the TRP helix that resemble the closed-to-open conformational changes, along with partial formation of the open-state specific hydrogen bonds. Some of the residues involved in the above key hydrogen bonds were validated by previous mutational studies. Taken together, our MD simulations have offered rich structural and dynamic details beyond the static structures of TRPV1, and promising targets for future mutagenesis and functional studies of the TRPV1 channel. Proteins 2016; 84:1938-1949. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Coupled field effects in BWR stability simulations using SIMULATE-3K

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

Borkowski, J.; Smith, K.; Hagrman, D.

1996-12-31

The SIMULATE-3K code is the transient analysis version of the Studsvik advanced nodal reactor analysis code, SIMULATE-3. Recent developments have focused on further broadening the range of transient applications by refinement of core thermal-hydraulic models and on comparison with boiling water reactor (BWR) stability measurements performed at Ringhals unit 1, during the startups of cycles 14 through 17.

Dynamic gas temperature measurement system

NASA Technical Reports Server (NTRS)

Elmore, D. L.; Robinson, W. W.; Watkins, W. B.

1983-01-01

A gas temperature measurement system with compensated frequency response of 1 KHz and capability to operate in the exhaust of a gas turbine combustor was developed. Environmental guidelines for this measurement are presented, followed by a preliminary design of the selected measurement method. Transient thermal conduction effects were identified as important; a preliminary finite-element conduction model quantified the errors expected by neglecting conduction. A compensation method was developed to account for effects of conduction and convection. This method was verified in analog electrical simulations, and used to compensate dynamic temperature data from a laboratory combustor and a gas turbine engine. Detailed data compensations are presented. Analysis of error sources in the method were done to derive confidence levels for the compensated data.

From terrestrial to aquatic fluxes: Integrating stream dynamics within a dynamic global vegetation modeling framework

NASA Astrophysics Data System (ADS)

Hoy, Jerad; Poulter, Benjamin; Emmett, Kristen; Cross, Molly; Al-Chokhachy, Robert; Maneta, Marco

2016-04-01

Integrated terrestrial ecosystem models simulate the dynamics and feedbacks between climate, vegetation, disturbance, and hydrology and are used to better understand biogeography and biogeochemical cycles. Extending dynamic vegetation models to the aquatic interface requires coupling surface and sub-surface runoff to catchment routing schemes and has the potential to enhance how researchers and managers investigate how changes in the environment might impact the availability of water resources for human and natural systems. In an effort towards creating such a coupled model, we developed catchment-based hydrologic routing and stream temperature model to pair with LPJ-GUESS, a dynamic global vegetation model. LPJ-GUESS simulates detailed stand-level vegetation dynamics such as growth, carbon allocation, and mortality, as well as various physical and hydrologic processes such as canopy interception and through-fall, and can be applied at small spatial scales, i.e., 1 km. We demonstrate how the coupled model can be used to investigate the effects of transient vegetation dynamics and CO2 on seasonal and annual stream discharge and temperature regimes. As a direct management application, we extend the modeling framework to predict habitat suitability for fish habitat within the Greater Yellowstone Ecosystem, a 200,000 km2 region that provides critical habitat for a range of aquatic species. The model is used to evaluate, quantitatively, the effects of management practices aimed to enhance hydrologic resilience to climate change, and benefits for water storage and fish habitat in the coming century.

Nonlinear Dynamics and Quantum Transport in Small Systems

DTIC Science & Technology

2012-02-22

2.3 Nonlinear wave and chaos in optical metamaterials 2.3.1 Transient chaos in optical metamaterials We investigated the dynamics of light rays in two...equations can be modeled by a set of ordinary differential equations for light rays . We found that transient chaotic dynamics, hyperbolic or nonhyperbolic...are common in optical metamaterial systems. Due to the analogy between light- ray dynamics in metamaterials and the motion of light and matter as